diff --git "a/smi-ted/finetune/moleculenet/muv/train.csv" "b/smi-ted/finetune/moleculenet/muv/train.csv"
new file mode 100644--- /dev/null
+++ "b/smi-ted/finetune/moleculenet/muv/train.csv"
@@ -0,0 +1,74470 @@
+MUV-466,MUV-548,MUV-600,MUV-644,MUV-652,MUV-689,MUV-692,MUV-712,MUV-713,MUV-733,MUV-737,MUV-810,MUV-832,MUV-846,MUV-852,MUV-858,MUV-859,mol_id,smiles
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+,,,,,,,,,0.0,,,,,,,0.0,CID3240717,O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1cccc(Cl)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID2203825,COC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccs1
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+0.0,,,,,,,,,0.0,,,0.0,,,,0.0,CID5308895,N#CC1=C2SCN(Cc3ccccc3)CN2C(=O)CC1c1cccs1
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+0.0,,,,0.0,,,,,0.0,,,0.0,,,0.0,,CID5076106,O=C(C1CCCCC1)N1CCN=C1SCc1cccnc1
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+,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,CID655607,CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1
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+,,,,,,0.0,,,,,,,,,,,CID2930409,COC(=O)C(C)NC(=O)C1CCCN1S(=O)(=O)c1cc(C)c(Cl)cc1C
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+,,,,,,,,,,,,,0.0,,,,CID1477066,Cc1ccc(-n2nc(N)c3c(=O)oc(N(C)C)nc32)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID2863506,CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CCCC2=O)N1
+,0.0,0.0,,,,,,,,,,,,,,,CID644482,NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1
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+,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID655283,COc1ccc(S(=O)(=O)N(Cc2nc(=O)c3ccccc3[nH]2)C2CCCC2)cc1
+,0.0,0.0,,,,0.0,,,0.0,,,,,,,,CID2225281,Cc1cc(C(=O)NCCCN2CCCC2=O)cs1
+,0.0,,,,,,0.0,,,,,,,,,,CID4654599,CCN1CCN(C(c2cccs2)C(C)NC(=O)C(C)C)CC1
+,,,,,,,,,,,,,0.0,,,,CID2106180,COC(=O)c1ccc(CSc2nnc(Nc3ccc(C)cc3)s2)o1
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID1337232,Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1
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+,,,,,,,,,,0.0,,,,,,,CID2014390,CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccc(OC)cc3)n2)nc1N
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+,,,,,,,,,,,0.0,,,,,,CID850340,COC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N
+,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,CID664176,COC(=O)C(C)NC(=O)Nc1ccc(C)c(C)c1
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+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID3235793,Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1
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+,,,0.0,,,,,0.0,0.0,0.0,,,,,,,CID2997804,O=c1[nH]c2ccc(S(=O)(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc2o1
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID659038,COc1cc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)cc2c1OCO2
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+0.0,,,,,,,,,,,,,,,0.0,,CID648964,Cc1cccc2cc(CN(Cc3cccs3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12
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+,,,,,,0.0,,,0.0,,,,,,,,CID1907983,Cc1ccc(C(=O)/C=C/Nc2ccccn2)cc1
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+,,,,,0.0,,,,,,,,,0.0,,,CID779847,CCOc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID3239987,CCCCN(CC)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
+,,,,0.0,,,,,,,,,,,,,CID3242951,COc1cc(C2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc(OC)c1OC
+,,,,,,,0.0,,,,,,,,,,CID5389718,CCOC1=CC(=O)/C(=C2\NNC(C)=C2c2ccccc2OC)C=C1
+,,,,,,,,,0.0,0.0,,,,,,,CID3241807,CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1-c1ccc(F)cc1
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+,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,CID651097,Cn1c(=O)c2c(nc(N3CCNCC3)n2Cc2cccc3ccccc23)n(C)c1=O
+,0.0,0.0,,,,,,,,,,,,,,,CID5389301,Cc1c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccncc2)cnn1-c1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,,CID2180085,CCOCCCNC(=O)CSc1ccccc1
+,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,CID700853,O=c1[nH]n(-c2ccccn2)c(=O)c2ccccc12
+0.0,,0.0,,0.0,,,,0.0,,,,,,,0.0,,CID660175,Cc1cc2ncn(C(=O)c3ccc4c(c3)OCO4)c2cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2239280,Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)O)c1C
+,,,,,0.0,,,,,,,,,,,,CID1280590,COc1ccc(OC)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID1477623,CCNC(=O)Nc1ccc(-n2nc(C)c(C(=O)OCC)c2C)nc1
+,,0.0,,,,,,,,0.0,,,,,,,CID649803,Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc2c(c1)OCCO2
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,CID654714,CN(CCCC(=O)Nc1ccncc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID697581,N#Cc1cc2c(nc1SCc1ccc(Cl)cc1)CCCC2
+,,,,,,,,,0.0,,0.0,,,,,,CID745901,Cc1cc(-c2ccccc2)nc2nnnn12
+,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID2080859,O=C(Cc1ccccc1F)Nc1nc(-c2cccs2)cs1
+,,,,,,,,,,,,,,,,0.0,CID648905,O=S(=O)(c1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)N1CCCC1
+,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID647234,Cc1cc(C)n(-c2cccc(Cl)c2)c(=O)c1C#N
+,,,,,0.0,,,,,,0.0,,,,,,CID1005162,N#Cc1ccc(-c2ccc(F)cc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2
+,,,0.0,,,,0.0,,0.0,,,,0.0,,,,CID973895,CCc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1
+,,,,,,,,,,,0.0,,,,,,CID1478214,CCc1nc2cc(CC(=O)O)ccc2o1
+,,,,,,,,,,,,,,0.0,,,CID9660641,N/C(=N\OC(=O)c1cccc2ccccc12)c1ccc(Br)cc1
+0.0,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID2346917,CCOC(=O)c1c(N)sn(-c2ccccc2)c1=S
+,,,,0.0,,,,,,,,,,,,,CID3238988,O=C(c1ccccc1)N1CC(COc2ccccc2)OC(c2cccnc2)O1
+,,,,,,,,0.0,,,0.0,,,,,,CID1798618,Cn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1nccs1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID4454678,Cc1cc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)ccc1Cl
+,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,CID645585,COc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2cccs2)cc1
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+,0.0,,,,,0.0,,,0.0,,,,,,,0.0,CID3236463,COC(=O)c1ccc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc1
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+,,,,,,,,,,,,,,,,0.0,CID2238495,CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2Cl)CC1
+,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID1773453,CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCC3)c(C#N)c1C
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+,,,,,0.0,,0.0,,,,,,,,,,CID5668138,C1=Nc2ccccc2/C1=C1/NN=C2CCCCCN21
+,,,,,,,,,,,,,0.0,,,,CID5826589,O=C1C=CC=C/C1=C/NC1CCCCC1N/C=C1/C=CC=CC1=O
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+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID757389,O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1
+,,0.0,,,,0.0,,0.0,,,0.0,,0.0,,0.0,,CID649392,O=C(Cc1cccs1)Nc1ccc(C(=O)O)cc1
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,CID2105816,COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID11958897,COc1ccccc1/C=C/C=N/n1c(COc2ccccc2)n[nH]c1=S
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+,,,,,0.0,,,,,,,,,,,,CID2876962,CC(C)(C)CC(C)(C)NC(=O)CSCC(=O)Nc1ccc2ccccc2c1
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+,,,,,,,,,,0.0,,,,,,,CID3230786,CCOC(=O)c1sc2sc(C(=O)OCC)c(CN3CC(C)OC(C)C3)c2c1CN1CC(C)OC(C)C1
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+,0.0,,,,,,,0.0,0.0,,,0.0,,,,,CID1260000,CCOC(=O)CSc1nnnn1-c1cccc2ccccc12
+,,,,,,,,0.0,0.0,,,0.0,,,,,CID2853672,COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID1917246,COc1ccccc1C(=O)N/C(=C/c1ccc(Br)cc1)C(=O)NCCO
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID2145346,COc1cccc2c(=O)n(CC(=O)N3CCCc4ccccc43)ccc12
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID1257994,Cc1cc(-c2ccccc2C(=O)NCc2ccccc2)on1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID664674,CC1CN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC(C)O1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID3243377,CCCCn1c(SCC(=O)Nc2cccc(OC)c2)nc2ccc(N3CCOCC3)cc2c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID2204114,O=C(Nc1nncs1)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
+,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,CID666862,COc1ccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)cc1
+0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID846189,Nc1cc(Cl)ccc1N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID831876,Cc1cc(C)cc(OCC(=O)N/N=C/c2cn(C)nc2C)c1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID772865,O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccco1
+,,0.0,,0.0,,,0.0,,,,,,,0.0,,,CID3243435,COC(=O)c1cc(NC2c3ncccc3C(=O)N2Cc2ccccc2)cc(C(=O)OC)c1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID661459,O=C1OC(Nc2ccc(Br)cn2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3474159,CCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2269538,CC(=O)Nc1ccc(OS(=O)(=O)c2c(C)cc(C)cc2C)cc1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID2950287,COc1ccc(CCNC(=O)CC2COc3ccccc3O2)cc1OC
+,,,,,,,,0.0,,,0.0,0.0,0.0,,,0.0,CID1221347,CCSc1nnc(NC(=O)c2c(-c3ccccc3Cl)noc2C)s1
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,,CID646711,CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCO3)C1=O
+,,,,0.0,,,,,,0.0,,,,,,,CID1931799,COCCn1c(N)c(C(=O)Nc2sc3c(c2C(=O)OC)CCCC3)c2nc3ccccc3nc21
+,,,,,,,,,0.0,0.0,,,,,,,CID848436,O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)C1CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID1330453,Cc1sc2ncnc(SCC(=O)c3ccc(Cl)s3)c2c1C
+,,,,,0.0,,,,,,,,,,,,CID4232558,O=C(NCc1ccc(Cl)cc1)c1cc(=O)nc2sc(-c3ccccc3)nn12
+,,,,,,,,,,,,,,0.0,,,CID5348455,C(=C/c1nc(-c2cccnc2)no1)\c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID659781,Cc1ccc(-c2cccc(NC(=O)C3C4C=CC(C4)C3C(=O)O)c2)o1
+,,,,,,,,,,,,,,,,0.0,CID2224813,CCOC(=O)CNC(=O)COc1ccc(Cl)cc1Br
+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID2206554,CN(c1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1)S(C)(=O)=O
+,,,,,,,,,,0.0,,,,,,,CID982774,CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccccc1
+0.0,,,,,,0.0,,,,,,0.0,,0.0,,,CID1053503,O=C(c1cc(-c2ccco2)nn1-c1cccc(Cl)c1)N1CCCCC1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID662979,Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)NC3CCS(=O)(=O)C3)CC2)cc1
+,,,0.0,,,,,,0.0,0.0,,,0.0,,,,CID2057491,O=C(NCCO)C(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID11957242,COc1ccc(CCNC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID653540,COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1cc2cc(OC)ccc2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID1548673,O=C(NCc1ccco1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
+,,,,,,,,,,,,,0.0,,,,CID16193493,CCOC(=O)c1ccc(NC(=S)NCCCN2CCN(C3CCCCC3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550164,Cc1cccc(Cn2c(=O)n(-c3ccc(CC(=O)NCc4ccco4)cc3)c(=O)c3sccc32)c1
+,,,,,0.0,,,,,,,,,,,,CID2261853,C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S
+,,,,,,0.0,,,0.0,,,,,,,,CID3236096,CCCCN(C)CCn1c(=S)[nH]c2ccc(N3CCOCC3)cc2c1=O
+,,,0.0,,,0.0,,,,0.0,,,,,0.0,,CID2566440,Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1C1CCCCC1
+,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID644609,COCC(=O)N(Cc1nc(=O)c2ccccc2[nH]1)Cc1cccs1
+,,,0.0,,,,,0.0,,0.0,,,,,,0.0,CID2155680,Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
+,,,,,,,,,,,0.0,,,,,,CID652972,Cc1cc(C)cc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1
+,,,,,,,,,,,,,0.0,,,,CID4553637,CCOC(=O)N/N=C(\C)c1ccc(C)c([N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID3239538,O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cnc[nH]1
+,,,,,,,,,,,,,,0.0,,,CID5805700,C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID685567,CC(C)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID1831782,CCCOc1ccc(Cn2cnc3ccccc32)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID3240262,COCCCNC(=O)CCN1C(=O)COc2ccc(C)cc21
+,,,,,,,,,,,,,0.0,,,,CID1981692,C=CCNC(=S)NNC(=O)c1ccc(OCC(C)C)cc1
+,,,,,,0.0,,,,,,,,,,,CID4109394,CC(=O)C1C(c2ccc(Cl)cc2)NC(=O)NC1(O)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID788521,Nc1cc(N)nc(SCC(=O)Nc2ccccc2)n1
+,,,,,,,,,0.0,,,,,,,,CID3262536,COc1cc(C(=O)Nc2nc3ccc4nc(C)sc4c3s2)cc(OC)c1OC
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID2842919,O=C(O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl
+,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID3243014,O=C(CCCCn1c(=S)[nH]c2ccsc2c1=O)NCc1ccco1
+,,,,,,0.0,0.0,,,,,,,,,,CID3242348,CC1CC(C)CN(C(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)C1
+,,,,,0.0,,,,,,,,,,,,CID804707,Cc1nc2ccccc2n1S(=O)(=O)c1ccc2ccccc2c1
+0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,,,CID1017696,Cc1c(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cccc1-c1nc2ccccc2o1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID664563,O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID909414,COc1cc(C(=O)N/N=C/c2sccc2C)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID4880236,Cc1cc(SCC(=O)N(C)CC(=O)Nc2ccc(F)cc2)nc2ccccc12
+0.0,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,CID3242089,Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2321526,COc1ccc(Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1OC
+,,,,,,,,,,,,,,,0.0,,CID2947675,CCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21
+,,,,,,,,,0.0,,,,,,,,CID4642224,C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,0.0,,,,,,CID586912,CC(C)(C)c1ccc(OCCNC(=O)c2ncn[nH]2)cc1
+,,0.0,,,,,,,,,,,,0.0,,0.0,CID664042,COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
+,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,CID576797,Cc1ccc(C(=O)CSc2ncn[nH]2)cc1
+,,,,,,,,,,,,,,,0.0,,CID650556,CC(=O)Nc1ccc(-c2nc3c(C)cccc3[nH]2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1306963,COc1ccc(OC)c(Nc2nc(-c3cccc([N+](=O)[O-])c3)nc3ccccc23)c1
+,,,,,0.0,,,,,,,,,,,,CID2131895,CC(C)CNC(=O)/C(=C/c1ccc(N(C)C)cc1)NC(=O)c1ccccc1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID2219283,COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccccc1F
+,,,,,,,,,,0.0,0.0,,,,,,CID895837,COc1ccc(C(=O)NC(=S)N2CCC(C)CC2)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,0.0,CID687093,Nc1c(C(=O)c2ccc(Br)s2)oc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2231218,COC(=O)c1cccc(NC(=O)c2ccc(OC)c(Cl)c2)c1
+,,,,,,,,,,,0.0,,,,,,CID291032,COc1ccc(C(C#N)Nc2ccccc2)cc1
+0.0,,,1.0,,,,0.0,0.0,,0.0,0.0,,,,,,CID717087,COc1ccccc1OCc1ccc(C(=O)Nc2ccncc2)o1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID3237647,CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID16187470,CCc1cc(C(=O)N2CCCC(CCC(=O)NCc3cccc(OC)c3)C2)no1
+0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,,,CID658081,CCOC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3
+,,,,,,,,,,,,,0.0,0.0,,,CID1248388,CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc(C)c1C
+,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,CID2432512,CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
+,,0.0,,,0.0,,,,,,,,,,,,CID2264834,COc1ccccc1N1CCN(CC(=O)Nc2cccc(F)c2)CC1
+,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,CID544174,COC(=O)C1C(=O)C=C(N2CCOCC2)CC1(C)C
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID661106,CCOC(=O)CC(=O)CSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1890266,O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1cc2ccccc2o1
+0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,CID2300454,O=C(NC1CCCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID3237983,COc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc(OC)c1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID2610950,CC(C)Cn1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,0.0,,0.0,CID974717,COc1ccc(NC(=O)CCCN2C(=O)CCC2=O)cc1Cl
+0.0,,,,,,,,,,,,,,,,0.0,CID654301,O=C(NCC1CCCCC1)C1CCN(C(=O)NC2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2768877,COc1nc(-c2ccccc2Cl)ccc1C#N
+,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,,CID864333,COc1ccc(-c2nnnn2-c2ccccc2OC)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID665520,O=C(CCc1nc(-c2ccccc2)no1)N1CCCC1
+0.0,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,CID651338,CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID878432,CCc1ccc(OCc2nnc(NC(=O)c3cccs3)s2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1170184,O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)NCc1ccco1
+,0.0,,,,,,0.0,,,,,,,,,,CID3238941,c1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,,,0.0,,,,,,CID938946,CN(C)CCCn1c(-c2ccccc2)nc(=S)c2c1CCCC2
+,,,,,,,,,,0.0,,,,,,,CID6400928,CC(C)Cc1ccc(/C(=N/O)C(=O)O)s1
+,,,,,,,,,0.0,,,,,,,,CID1727038,O=C(NCC1(c2ccccc2)CCCC1)C1(c2ccccc2)CCCC1
+,,,,,,,,,0.0,,,0.0,0.0,0.0,,,CID973916,CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1
+0.0,0.0,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,CID648428,CC(C)Cn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)N1CCOCC1
+,,,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,CID664071,O=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID1375769,CCN1C(=O)CS/C1=N\c1nccs1
+0.0,,,,,,,,,,,,,,,,0.0,CID665710,O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccc(Br)c2)N1CCO
+,,,,,,,0.0,,,,,,,,,,CID648642,Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)C)n1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID5308509,Cc1cc(NC(=O)c2cc(CC(C)C)on2)n(-c2ccccc2)n1
+,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID2312372,Cn1c(=O)c2nc(NCc3ccccc3)cnc2n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1475496,COc1ccc(NC(=S)NC(=O)c2csnn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID897579,Cc1ccnc(NC(=O)c2ccoc2C)c1
+,,,,,,,,,,,,,0.0,,,,CID1909759,Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccoc3)C2=O)cc1
+,,,,,,,0.0,0.0,,,,,0.0,,0.0,,CID1079067,CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2ccccc2OC)ccc1OC
+,,0.0,,,,,,,,,,,,,,,CID3243661,COc1ccc(N2CCN(C(c3cccs3)C(C)NS(=O)(=O)c3ccccc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2116689,Cc1cc(C)n2c(SCC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)nnc2n1
+,,,,,,,,,,0.0,,,,,,,CID1440810,CCOC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2484288,O=C(CCSc1ccccc1)NC(=O)COC(=O)C1CCCCC1
+,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,CID3238833,CC1CCCCC1NC(=O)Cn1nc(-c2ccccc2)ccc1=O
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID647961,CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(OC)cc2)c1=O
+0.0,,,,0.0,,,,,,,,,0.0,,,,CID325742,Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2[nH]1
+,,,,,,,,,,0.0,,,,,,,CID691299,CC(=O)c1c(N2CCCC2)[nH]c(-c2ccccc2)nc1=S
+0.0,,,,,0.0,,,,,0.0,,,,,,0.0,CID2409608,C=CCn1c(=O)c2ccccc2n2c(SCC(=O)c3ccccc3)nnc12
+0.0,,,,,,,,0.0,,,,0.0,0.0,,0.0,0.0,CID3242793,C#CCN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1473794,O=C(O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1471610,Fc1cccc(Oc2nc3ccccc3n3cccc23)c1
+0.0,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID658211,CC(=O)OC(Cn1nc(C)cc1C)c1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3089187,CCc1ccc(C(=O)c2cncc(Br)c2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1192821,CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccccn4)ccc1c23
+,,,,,,,,,,0.0,,,,,0.0,0.0,CID653722,CCCCn1c(SCC(=O)Nc2nnc(C)s2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID955159,O=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID921277,CCN(CCO)C(=O)C(c1ccccc1)c1ccccc1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID669390,CCOc1ccc(C(=O)N2CCCCCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID2884552,OC(COc1cccc(OCC(O)CN2CCOCC2)c1)CN1CCOCC1
+,,,,0.0,,,,,,,,,,,,0.0,CID2999217,Cc1c(C(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)oc2ccccc12
+,,,,,,,,,0.0,,,,0.0,,,,CID2086194,CC(C)=CC(=O)OCC(=O)Nc1ccc(Cl)cn1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID5307607,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1
+0.0,,,,0.0,,0.0,,0.0,,,,,,,,0.0,CID3241589,CCOC(=O)c1c(C)c(C(=O)NC2CCCCCC2)c(C)n1C
+,,,,,,,0.0,,,,,,,,,,CID1291811,Cc1cc(=O)oc2ccc(OCC(=O)N(Cc3ccc(F)cc3)Cc3ccco3)cc12
+,,,,,,,,,,,,,0.0,,,,CID16188251,CC(C)N1CCN(Cc2cccc(-c3ccco3)c2)CC1CCO
+0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,CID644657,Cc1ccc(Cn2c(SCc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,0.0,,,,,,,,,,,,0.0,0.0,,CID713160,COc1cc(OC)cc(C(=O)Nc2ccc3c(c2)COC3=O)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID685360,CSc1ccc(/C=N/n2nnnc2N)cc1
+,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,CID839966,CS(=O)(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,CID658360,Clc1ccc2nc(CSc3nc4ccccc4o3)cn2c1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID646861,O=C(NCC(=O)N(c1ccccc1F)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1
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+,0.0,,,,,0.0,,,,,,,,,0.0,,CID3239949,Cc1nc2c(C(=O)NCc3ccc(F)cc3)c[nH]n2c(=O)c1Cl
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+,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,CID645533,CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2
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+,,,,,,,,,0.0,,,,,,,,CID2266898,O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc(OC(=O)c2cccs2)c1
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+,,,,,,,,,,,,,0.0,,,,CID580289,COc1ccc(OCC(=O)Nc2ccccc2Cl)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID742667,CCCn1[nH]cc(SC)c(=O)c1=O
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID650977,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID978553,CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)c2ccccc2C1=O
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+,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID1091991,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1ncccn1
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+,,,0.0,,0.0,,0.0,,,0.0,,,,,,,CID649719,CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1
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+,0.0,,,,,0.0,,,,,0.0,,,,,,CID651133,O=C(NCc1ccncc1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
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+,,,,,,,,,0.0,,,,,,,,CID1250439,COc1ccccc1N1CCN(C(=O)CSc2nc(=O)cc(N)[nH]2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2091496,Cc1cnc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)s1
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+,,,,,,,,,,,,,0.0,,,,CID1728348,C=CCNC(=S)NNC(=O)COc1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID804203,Cc1ncc([N+](=O)[O-])n1Cc1cccc2ccccc12
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID658260,COC(=O)CSc1nc(N)c2c3c(sc2n1)CCCC3
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID2236497,COc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1
+,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,,CID971861,O=C(Nc1ccc2c(c1)OCO2)Nc1cnccn1
+0.0,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,CID976901,O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)N1CCCCC1
+,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,CID772515,COc1ccc(-c2nc(C)sc2CC(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID4668494,CC(C)(C)OC(=O)CN1C(=O)C(Sc2n[nH]c(-c3ccccc3)n2)CCc2ccccc21
+,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID655712,O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID2999168,CCn1nc(C(=O)OC2CCOC2=O)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1471444,Cc1ccc(N/N=C(\C=O)C(=O)c2ccc(Cl)cc2)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID620333,CC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12
+,,,0.0,,0.0,,,,,,,,,,,,CID762633,CC12CN3CC(C)(CN(C1)C3c1ccco1)C2=O
+,,,,,,,,,,,,,,0.0,,,CID4151364,CC1(C)CC(=O)c2cc(C(=O)NNc3ccccc3)c(=O)n(-c3ccccc3)c2C1
+,,,,,,,0.0,,,,,,,,,,CID3291,CCC1(C)CC(=O)NC1=O
+,,,,,,,,,0.0,,,,,,,,CID3236154,CCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID649544,O=C(NCC(=O)N(c1cccnc1)C(C(=O)NC1CCCC1)c1ccco1)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID897238,CN(C)S(=O)(=O)c1ccc(NC=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID788806,NC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3240010,CCN1CCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)CC1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1318151,CN(c1cccc(NC(=O)CSc2ccc(Cl)cc2)c1)S(C)(=O)=O
+,,,,,,,,,0.0,,0.0,,,,,,CID735118,Nc1nc(SCCN2C(=O)c3ccccc3C2=O)n[nH]1
+,,,,,,,,,,,0.0,,,,0.0,,CID3240361,CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(c2ncccn2)CC1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID5739604,C/C(=C\C(=O)c1ccc(F)cc1)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3559132,COC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)cc(C)n1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID1347716,Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c(C)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID2322773,COc1ccc(C(=O)/N=c2\nc3ccccn3s2)cc1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID716264,O=C(COc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID304798,O=C1CCCCCC1C1(O)C(=O)Nc2ccc(Br)cc21
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID4390626,CCSc1nc(C2CC2)cc(-c2cccs2)c1C#N
+,,0.0,,,,,,,,,,,,0.0,,,CID3239291,O=C(O)c1cc(-c2ccccc2)n(-c2ccccc2C(=O)O)n1
+0.0,,,,,,,,,,,0.0,,,,,,CID661304,COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)cnc21
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID647977,COc1ccc(CNC(=O)CSc2nnnn2Cc2ccccc2)cc1
+,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID2948955,COc1cc(C(=O)Nc2nnc(CC(=O)N3CCOCC3)s2)cc(OC)c1OC
+,,,,0.0,,,,,,0.0,,,,,,,CID2862333,CCOCCSC1=C(C#N)C(c2cccs2)C(C(C)=O)=C(C)N1
+,,0.0,,,,,,,,,,,,,,,CID5308135,CCN(CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID3170616,CCc1cc2c(s1)N(CC(=O)OC)C(=O)CN=C2c1ccccc1OC
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID665982,Cc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
+,,,,,,,,,,,,,0.0,,,,CID2216207,CC(=O)c1ccc(OCCOc2ccc(Cl)c3cccnc23)cc1
+,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,,,CID653664,COc1cc(-c2cc3nc(C)c(C)c(=O)n3[nH]2)cc(OC)c1OC
+,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID2111650,Cc1ccnc2nc(C(=O)NC3=NCCS3)nn12
+,,,,,0.0,,,,,,,,,,,0.0,CID3242913,CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3c2C)CC1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID3237300,Cc1cc(C(=O)NCc2ccccc2)no1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2957115,CCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1
+,,,,,,,,,,,0.0,,,,,,CID2468722,CSc1ncccc1C(=O)OCC(=O)NC(N)=O
+,,,,,,,0.0,,,,,,,,,,CID2120500,CCn1nc(C(=O)OCC(=O)N2CCc3ccccc32)c2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID677049,O=C(CSc1nc2ccccc2s1)Nc1nccs1
+,,,,,,,,0.0,,,,,0.0,,,,CID2124192,Cc1ccc2c(COC(=O)C3=COCCO3)cc(=O)oc2c1
+,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,CID654207,O=C(NC1CCCCC1)N1CCCC(c2nc3ccccc3[nH]2)C1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2236672,CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1913021,COc1ccc(/C=N/NC(=O)COc2ccccc2)c(C(=O)O)c1OC
+,,,,,,,,,,,,0.0,,,,,CID3621451,CCOC(=O)CCSCC(=O)Nc1nnc(C)s1
+,,,,0.0,,,,,,,,,0.0,0.0,,,CID691684,CSc1nsc(SC)c1NC(=O)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID4557249,O=C(CSc1cccc2cccnc12)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
+,0.0,,,,,,,0.0,,,0.0,,,,,,CID883506,NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1
+,,,0.0,0.0,,0.0,,0.0,,,,,,,,,CID3236730,CC(C)OCCCNC(=O)C1CC(=O)N(C2CCCCCCC2)C1
+,,,,,0.0,,,,,,0.0,,,,,,CID737692,COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2952609,CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1
+,,,,,0.0,,,0.0,,,,,,0.0,,,CID4520380,CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCC(C)CC4)n3)c(=O)oc12
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID718814,Cc1ccccc1OCc1nc(-c2ccc(Br)o2)no1
+0.0,,,0.0,,0.0,,,,,0.0,,0.0,,,,,CID3604219,CCC(SCC(=O)OC)C(=O)Nc1nnc(C(C)C)s1
+,,,,,,,,0.0,,0.0,,,,,,,CID1088541,Cn1nnc2cc(C(=O)NC3CC3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2441266,CCc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID2999298,CCOC(=O)CCCNC(=O)COC(=O)CCC(=O)c1ccc(F)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID759092,Cc1ccc(S(=O)(=O)CCC(=O)N2CCc3ccccc32)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID3244266,CCC(C)NC(=O)C1(C)CCC(=O)N1Cc1ccccc1OC
+,,,,,,,,,0.0,,,,,0.0,,,CID1304906,O=C(OCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1177125,CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1
+,,0.0,,,,,0.0,,,,,,,,,,CID937181,O=C(CN1C(=O)c2cccc3cccc1c23)Nc1cccnc1
+0.0,,,,0.0,,,,,,,,,,,,,CID2234341,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccc2)CC1
+,,0.0,,0.0,,,,,,,,,0.0,,,,CID655689,O=S(=O)(NC1CCc2ccccc21)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1229513,Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)c2ccccc2n1C
+,0.0,,,,,,,0.0,,0.0,,,,,,,CID1044643,CC(C)c1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2
+,,,,,,,,,,,0.0,,,,,,CID3108744,C/C(=N\NC(=O)CSCc1ccc(Cl)cc1)c1ccc(NC(=O)c2ccccc2)cc1
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,,CID666613,CCOC(=O)C1=C(N)Oc2cc(C)n(C)c(=O)c2C1c1ccncc1
+0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,CID649565,c1ccc(CSc2nnc(Cc3ccccn3)o2)cc1
+,,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID2950084,COc1ccc(NC(=O)C23CCC(C2)C(C)(C)C3=O)cc1
+,0.0,0.0,,,,,,0.0,0.0,,,,,,,,CID646234,CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccccc3)N3CCOCC3)cc2c1
+0.0,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,CID653336,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2)c1
+,,,0.0,,,,,,,,,,,,,,CID4087011,COC(=O)CCSCC(=O)Nc1nnc(C)s1
+,,,,,,,,,,,,,0.0,,,,CID583500,O=C(C(=O)N1CCCc2ccccc21)N1CCCc2ccccc21
+,,,0.0,,,,,,,,,,,,,,CID5389492,Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(C)CC3)c2oc1=O
+,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,CID660367,Cc1cccc(-n2ncc(C#N)c2N)c1
+0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID1120780,O=S(=O)(c1cccc2nsnc12)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1259103,Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2433711,CCN(c1ccc(NC(=O)COC(=O)c2ccc3ccccc3n2)cc1)C(C)C
+,,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID657654,CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(Cc3ccccc3)c2CO1
+,0.0,0.0,,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,CID2082104,Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCc1ccco1
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+,0.0,,,0.0,,,,,,,,0.0,,,,,CID3244334,C=CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccncc1
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+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID662614,Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1
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+0.0,,,,,,,,,,,,,,,,,CID2250138,Cc1cc(OCCCCCNCCO)cc(C)c1Cl
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+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID765363,COc1ccccc1NC(=O)c1ccc(Br)o1
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+,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,CID664973,COC(=O)CSc1ncnc2c1cnn2Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1017683,CN(C)C(=O)c1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID695007,O=C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1
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+0.0,,0.0,,,,,,,,,,,,,,0.0,CID663244,CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
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+,,,0.0,,,0.0,,,,,,,,,,0.0,CID1282089,O=C(CSc1nnc(-c2cccnc2)o1)c1cc2ccccc2oc1=O
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+0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID648144,C=CCc1c(C)nc(SC)nc1Nc1ccc(C(=O)O)cc1
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+,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,0.0,,CID663690,CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID2997552,O=C(Cn1nnc(-c2ccccc2)n1)OC1CCOC1=O
+,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0,,CID975410,O=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2
+,0.0,,,,,0.0,0.0,,,,0.0,,,,0.0,,CID2792515,CCc1ccccc1Nc1nc(=O)[nH]nc1C
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID647848,CNC(=O)CC(C(=O)O)c1ccc(OCC(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID3140390,O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cccnc12
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+,,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,CID3236215,CCOC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2c1=O
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+,,0.0,,,,,,,,,0.0,,,,,0.0,CID854403,COc1ccc(CNC(=O)Nc2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3307928,C/C(=N\NC(=O)c1ccc(O)cc1)c1ccc2c(c1)Nc1ccccc1S2
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID2999713,Cc1nn2cc(-c3ccc(-c4ccccc4)cc3)nc2s1
+,,,0.0,,,0.0,,,,,,,,,,,CID3240172,CC(C)NC(=O)CCNC(=O)c1ccc(F)cc1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID736468,N=C1C=CC=C2C1=NC1(CCCCC1)N2O
+,,,,,0.0,,,,,,,,,,,,CID9550493,CCN1CCCc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccc(C)c(C)c3)ccc21
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+0.0,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,CID650079,COCCCn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccncc1
+,,,,,,,,,0.0,,,,0.0,,,,CID769783,CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID1562720,CCCCOC(=O)Nc1nnc(CC)s1
+,0.0,,,,,0.0,,,,,,,0.0,,,,CID2951554,COc1ccc(C2(C(=O)NCC3CCCO3)CCOCC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID655380,Cc1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID658159,CCOC(=O)c1ccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)cc1
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+,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,CID2334393,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,0.0,,,,0.0,CID647240,Nc1nc2sc3c(c2c(=O)s1)CCCC3
+,,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,CID647357,CCN(CC)S(=O)(=O)c1csc(C(=O)NCc2ccccc2)c1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID662174,Cc1oc2nc(SCCCC(=O)NCCCO)nc(N)c2c1C
+,,0.0,,,,,,,,,,,,0.0,,,CID666041,Cc1cc(=O)n(CCC(=O)O)c2ccccc12
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID737592,C=CCn1c(/N=C/c2ccc(N(C)C)cc2)nc2ccccc21
+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID2553083,CCOc1ncccc1C(=O)OCc1cc(=O)n2c(n1)sc1ccccc12
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+,,,,,0.0,,,,,,,,,,,,CID3217838,CCc1ccccc1NC(=S)NC1CC2CCC(C1)N2Cc1ccco1
+,,,,,0.0,,,,,,0.0,,,,,,CID5345513,CCOc1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1
+,,,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,CID3241176,O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2cccc(Cl)c2)CC1
+,,,,0.0,,,,,,,0.0,0.0,,,0.0,,CID962573,O=C(O)c1cc(NS(=O)(=O)c2cccc3ccccc23)ccc1O
+0.0,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,CID3244493,Cc1ncc(CO)c2cc(C(N)=O)/c(=N/c3ccccc3)oc12
+,,,,,,,,,,,,,0.0,,,,CID1164148,COc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)o2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID81423,Nc1ccc2cn[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2276936,Cc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1
+,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,CID654423,COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2883609,Cc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2ccccc2)C(=O)O)cc1
+0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID646679,CC(C)C(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
+,,0.0,,,,,,,,,,,,,,,CID978304,CC1(C)CNC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2683296,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C)c2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1293002,COc1ccccc1-n1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
+,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,CID1245341,Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccccc3)c2)o1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID733986,CCOc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1
+,,0.0,,0.0,,,,,,,,0.0,,0.0,,,CID772856,COC(=O)CCC(=O)Nc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2956890,CC(=O)c1nc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)sc1C
+,,,,,0.0,,,,,,,,,,,,CID3133086,CC1(C)NC(=O)N(CC(O)COc2ccccc2C(=O)N2CCCCC2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID3443463,CC(=O)NCCn1c(SCc2ccccc2C)nc2ccccc2c1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID2838671,CCN(CC)C(=O)C1CCCN(Cc2ccc(OC)c(C)c2)C1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID649548,Cn1c(CN2CCOCC2)nnc1SCC(=O)NCCc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID649143,Clc1cccc(-c2cc3nc4c(c(N5CCOCC5)n3n2)CCCC4)c1
+,,,,,,,,,,0.0,,,,,,,CID5309794,Cc1ccc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2cccnc2)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID3242854,O=C(Cn1cnc2c(nnn2-c2ccc(F)cc2)c1=O)N1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID3228506,O=C(OC(C(=O)NC1CCCC1)c1ccccn1)c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID727428,CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID655974,O=C(N1CCCC1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1
+,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,,CID2915932,CCCCC(CC)CNC(=O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,0.0,,,,CID1488506,CC(C)C(=O)Nc1ccnc(-c2cccnc2)n1
+0.0,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,,,CID664138,COc1ccc(-c2nc(C#N)c(N3CCCCCC3)o2)cc1OC
+0.0,,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,CID717126,CCc1ccc(OCc2ccc(C(=O)NCc3ccccn3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1107766,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccnc2)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID866512,c1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1
+0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,CID2998631,O=C(CCc1nc(=O)c2ccccc2[nH]1)NC1CCN(Cc2ccccc2)CC1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID647969,Cc1nnc(SCCOC(N)=O)n1C
+0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,CID652528,CCOC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1
+,,0.0,,,,,,,,,,0.0,,,,,CID692331,O=C(O)c1cccc(N2C(=O)CCC2=O)c1
+,,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID2833680,C=CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID1913412,C/C(=C\C(=O)N1CCc2ccccc21)C(=O)O
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID2928798,COc1ccc(CCNC(=O)CC2Nc3cc(C)c(C)cc3NC2=O)cc1OC
+0.0,,,0.0,,,,,,,,,,,,,,CID5308472,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCC1COc2ccccc2O1
+,,,0.0,,0.0,,,,,,,,,,0.0,,CID1557219,Cc1ccc(S(=O)(=O)/N=C(/Nc2nc(C)cc(C)n2)N2CCOCC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID5310635,CCCCN/C=C1/C(=O)NC(=O)N(c2c(C)cc(C)cc2C)C1=O
+,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,CID663276,CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCSc1nc2ccccc2[nH]1
+,,,,,,,,,0.0,,,,,,,0.0,CID2897417,O=C(NC1CC2CCC1C2)C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,,,,CID2790516,COc1ccc(/C=N/NC(=O)C(C)n2cnc3ccccc3c2=O)cc1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID2319058,Cc1cccn2c(=O)c(/C=N/O)c(N3CCCC3)nc12
+0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,0.0,CID892375,Cn1cc(Cl)c(C(=O)NC2CCCCCC2)n1
+,,,,,,,,,,0.0,,,,,,,CID1244882,COc1ccc(N2CCN(c3nc(NC(C)(C)C)nc(N4CCCCC4)n3)CC2)cc1
+,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,,,CID706181,Cc1cc(NC(=O)CNC(=O)C2CCCCC2)no1
+,,,,,,,,,,,0.0,,,,,,CID1713220,COC(=O)CCC(=O)NNC(=O)c1ccc(Br)cc1
+,,,0.0,,,,,,,,0.0,,,0.0,,,CID803937,O=C(CCC1CCCCC1)Nc1ncn[nH]1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2943592,CCC(C)NC(=O)c1ccccc1NC(=O)C(C)N(c1ccccc1)S(C)(=O)=O
+,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID2998287,CC(C)Cn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID2006932,C=CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cccnc1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID2886034,Cc1ccc(N(C(=O)c2ccc(Br)o2)C2C=CS(=O)(=O)C2)cc1
+,,,,,,0.0,,,,,,,0.0,,,,CID1276991,Fc1cnc(N2CCN(c3ccccc3)CC2)nc1N1CCN(c2ccccc2)CC1
+,,,,0.0,,0.0,,,,,,,,,,,CID3237128,COc1ccc(CNC(=O)Nc2cccs2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID696384,Cc1ccccc1-c1n[nH]c(=S)n1C1CCCCC1
+,0.0,0.0,,,,,,,0.0,,,0.0,,,,,CID651075,COc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID3223959,CCNC(=S)N1CCCC(c2nc3ccc(C)cc3[nH]2)C1
+,,,,,,,,,0.0,,0.0,,,,,,CID5307527,Cc1ccc(C)c(N2CCN(C(=O)CN(C)S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
+,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,CID3237505,O=C(NC1CCCC1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12
+,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID649889,O=C(Nc1ccc(-n2cnnn2)cc1)C1CCC1
+,,,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID3000189,Cn1ccnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,0.0,,,0.0,,,CID11948741,CC1=NN(c2cccc3ccccc23)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1
+,,,,,0.0,,,,,,,,,,,,CID2889129,Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C
+,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,CID664495,O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID2986656,Cc1c(C(=O)OC2CCCC2)[nH]c2c1C(=O)CC(c1ccco1)C2
+,,,,,,,,,,0.0,,,,,,,CID3240116,COc1ccc(CN2CC(C(=O)NCCCOC(C)C)CC2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID5286660,CCN(CC)c1ccc(/C=C2/C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2N2CCOCC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3243431,CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br
+,,,,0.0,,,,,,,,,,,,,CID961131,COC(=O)c1c(N)sc(C(C)=O)c1C
+,,,,,,,0.0,,,,,,,,,,CID662952,Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1cccc(F)c1)c(=O)n2C
+,,0.0,,,,,,,,0.0,,,,,,,CID3238691,Cc1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)o1
+,,,,,,0.0,,,,,,,,,,0.0,CID1259192,CC(=O)N1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID2209959,O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307340,O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1noc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID16191788,Cc1cc(C)n(CCNCc2c(C(=O)N3CC(C)OC(C)C3)nc3ccc(Cl)cn23)n1
+,,,,,,,,,,,0.0,,,,,,CID3218155,CNC(=S)NC1CC2CCCC(C1)N2Cc1ccco1
+,,,,,,0.0,,0.0,,,,,,,,,CID458233,Cc1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID658252,N#Cc1c(N2CCOCC2)nc(-c2ccco2)c2c1CCCC2
+0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,CID2107577,Cc1noc(C)c1COC(=O)c1cc2c3ccccc3n(C)c2s1
+,,,,,,,,,,0.0,,,,,,,CID2884731,NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID795130,O=C(Cc1ccccc1)N/N=C/c1ccc(Br)o1
+,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,CID2999899,O=C(CSc1ccc2c(c1)OCCO2)NCC1CCCO1
+,,,,,,,,,,,,0.0,,,,,CID904602,CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O
+,,,,,,,,,,,,,,0.0,,,CID2451470,Cc1c(/C=N/NC(=O)c2cccnc2)cc(C#N)n1C
+,,,0.0,,,,,,,,,,,,0.0,,CID5307987,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID785950,COC(=O)CN(C#N)c1nc(NC(C)C)nc(OC)n1
+,,,,,,,,,,0.0,,,,,,,CID693853,OC1CCN(C(=S)NCCc2ccccc2)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID647015,CN(C(=O)c1cccc(C#N)c1)c1nnc(C2CCOC2)s1
+,,,,,,,,,,,,,0.0,,,,CID4642448,O=C(N/N=C/c1cc2c(cc1Br)OCO2)c1c[nH]c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID5160522,CC(=O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-]
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID1243316,Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)NCc1ccccn1
+,,,,,0.0,,,,0.0,,,,,,,,CID2576749,CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1475680,Cc1cc(C)c(S(C)(=O)=O)c(Oc2ccc(C(C)(C)C)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID803111,Cc1ccccc1NC(=O)COc1ccc(Br)cc1C
+,,,,,,,,,,,0.0,,,,,,CID827122,Nc1ccc(Sc2ccccc2CC(=O)O)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID879197,O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID7312564,Nc1ccccc1C(=O)NCc1ccc(Cl)cc1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID2931910,CC1=CCC2C(=O)N(c3ccc(Br)cc3C)C(=O)C2C1
+,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,CID2432784,O=C(COC(=O)c1cccs1)NCc1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,,CID5309028,O=C(Cn1cc2c(n1)CCCCC2)NCCCN1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID661741,CN1c2ccccc2-c2nc3ccccc3n2C1c1ccccn1
+,,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID3238738,CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
+,,,,,,,,,,,,,,0.0,,,CID3638362,Cc1ccc(-n2nnnc2-c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID663033,Cc1nnc(SCCn2c(Br)nc3c2c(=O)[nH]c(=O)n3C)s1
+,,,,,,,,,0.0,,,,,,,,CID2877837,CCOc1ccc(C(C)=O)cc1CC(C(N)=O)C(N)=O
+,,,,,,,,,,,,,,0.0,,,CID4067705,CSc1nc(-c2ccccc2)nc(NC(=O)C(C)C)c1C(C)=O
+,,,,,,,,,,,,,,0.0,,,CID3747502,COc1ccc(NC(=O)N2Cc3ccccc3CC2C(=O)NC(C)(C)C)cc1
+,,,,,,0.0,,,,,,,,,,,CID5447101,CCN(CC)C(=O)CSC1=NN/C(=C2\C=c3ccccc3=CC2=O)N1CC
+,,,,,,,0.0,,,,,,,,,,CID2921454,CC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C
+,,0.0,,,,,,,,,,,,,,,CID2922119,CC1CCc2c(sc3ncnc(NCCN4CCOCC4)c23)C1
+,,,,,,,,,,,,,,0.0,,,CID7119398,Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc3c(c2)OCO3)n1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID2999090,CC1CCCCC1NC(=O)c1cncc(Br)c1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID664855,CCNC(=O)CSc1nc2ccccc2c(=O)n1OC
+,,,,,,,,0.0,,,,,,0.0,,,CID740895,CCOc1ccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID806859,CS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID661037,CNc1oc(-c2ccc(Cl)cc2)nc1C#N
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID2059880,COc1ccc(-c2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2890856,CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC3CC3)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID836649,CCOc1ccccc1NC(=O)c1cccc(NC(=O)C(C)C)c1
+,,,,,,,,,0.0,,,,,,,,CID2355564,Cc1cnc(C(=O)OCC(=O)NCCc2ccccc2)cn1
+,,,,,,,,,,,,,0.0,0.0,,,CID2437475,CCc1ccc(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID1824219,CCOC(=O)CSc1nc2ccc(NC(=O)CSc3nnnn3Cc3ccccc3)cc2s1
+,,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,CID2078668,COc1ccc(OC)c(-n2c(SCC(C)=O)nnc2-c2cccc(S(=O)(=O)N(C)C)c2)c1
+,,0.0,,,,,,0.0,,,,,,,,,CID648353,COc1cc(C(=O)Nc2cnc(NC(=O)C(C)C)cc2C)cc(OC)c1OC
+,,,,0.0,,,,0.0,0.0,,,,,,0.0,,CID3238983,Cc1ccc(C)n1CCN1CCN(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1
+0.0,,,,,,,,0.0,0.0,,,1.0,,,,,CID658778,CCOC(=O)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(C)=O)cc1
+,,,,,,,0.0,,0.0,0.0,0.0,,,,,,CID76080,Nc1ccccc1C(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1905646,O=C1N=C(N2CCOCC2)S/C1=C1\C(=O)N(Cc2ccccc2)c2ccccc21
+,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID2978377,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID1504378,Cc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1C
+,,,,,,,,,0.0,,,,0.0,,,,CID740856,Cc1ccc2nc(C)c(Cl)c(=O)n2c1
+,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,CID2517425,Cc1cccc(-c2nnc(SCC(=O)Nc3ccnn3C(C)C)n2C)c1
+,,0.0,,,,,,,,,,,,,,,CID808206,COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1
+0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,,CID664775,Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID657848,CC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C
+,,,0.0,,,0.0,,,,,,,,,,,CID662329,Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,CID2365040,COc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1OC
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID4507,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc([N+](=O)[O-])c1
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+,,,,,,,,,,,,,,0.0,,,CID703953,Cc1nc2scc(-c3ccc(C(C)(C)C)cc3)c2c(=O)n1N
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+,,,,,,,,,,0.0,,0.0,,,0.0,,CID658904,CC1=C2C(CCS2(=O)=O)CC2(C1)C(=O)OC(C)(C)OC2=O
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+,,,,,,,0.0,,,,,,,,,,CID3238601,CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(OC)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID770951,C/C(=N\OC(=O)c1ccc(Br)cc1)c1ccccn1
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,,CID660791,CC(n1cnnn1)C12CC3CC(CC(C3)C1)C2
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+,,,,,0.0,,,,,,,,,,,,CID839736,Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(N)=S)c1C
+0.0,,,,,,,,0.0,,,,,,,,,CID3245504,COc1cccc(-c2nc(CSCC(=O)N3CCc4ccccc43)c(C)o2)c1
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+,,,,,,0.0,,,0.0,,,,,,,,CID851301,CN(C)C(=O)CSc1cccc2cccnc12
+,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID650305,COCCNC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID4524988,CCOC(=O)NCN1C(=O)C2C3C=CC(C3)C2C1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID978221,O=C(Nc1ccc(Br)cc1Cl)Nn1cnnc1
+,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,CID665505,c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)nc1
+,,,,,,,,,,,,,,,0.0,,CID897377,C=CCN(CC=C)C(=O)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID9551497,Cn1cccc1/C=C1\CC(C(C)(C)C)C/C(=C\c2cccn2C)C1=O
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID5308978,Cc1ccc(C2CC(c3cccc(C)c3)N3NC=NC3=N2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID656269,Cc1ccc2nc(NCCCNC(=O)c3cnccn3)c(C#N)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID1088542,CC(=O)c1cn(Cc2ccc(C#N)cc2)c2ccccc12
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+,,,,,0.0,,,,,,,,,,,,CID5346387,Cc1ccc2c(c1)N/C(=C1\C=C(NC(=O)c3cccs3)C=CC1=O)O2
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+,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,CID660710,Cc1cc(=O)nc(SCC2(O)C3CC4CC(C3)CC2C4)[nH]1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID3238479,O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)NC1CCCCC1
+0.0,,,0.0,,,0.0,0.0,,,0.0,,,,,,,CID651274,CCCn1c(SCC(=O)Nc2c(CC)cccc2CC)nnc1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID2432762,COc1cc(CC(=O)OCC(=O)NC2CCCCC2)cc(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID1151027,Cc1ccc(-c2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID648282,COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC
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+,,,,,,,,,,0.0,,,,0.0,,,CID864705,CCOC(=O)CSc1nnc2cc(C)c3ccccc3n12
+,,,,,,,,,,,0.0,,,,,,CID9551811,COC(=O)C(CC(C)C)NC(=O)NC1CCCCC1C
+,,,,,,,,,,,,,,,0.0,0.0,CID5308327,COc1ccc(OC)c(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)c1
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+,,,,0.0,0.0,,0.0,,,,0.0,,,,,,CID5064375,COc1ccc(CC(=O)N2CCN=C2SC)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1551983,CC(=O)NN1C(=O)/C(=C\c2ccccc2)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID2771422,O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCc1cccnc1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID5307315,O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID5769296,C=CCN1C(SCC(N)=O)=NN/C1=C1/C=CC=CC1=O
+0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0,,CID717559,CCOc1ccc(C(=O)Nc2cc(C)on2)cc1OCC
+,,,,,0.0,,,,,,,,,0.0,0.0,,CID3244422,CC(C)Oc1ccc(C(CC(=O)O)NC(=O)CSc2ncn[nH]2)cc1
+0.0,,,,,0.0,,0.0,,,0.0,,,,,,0.0,CID648233,COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3)cc2c1
+,,,,,,,,,,0.0,,,,,,,CID2201317,COCCNC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
+,,,,0.0,,,,0.0,,,,,,,,,CID2576756,Cc1cc(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(C)s1
+,,,,,0.0,,,,,,,,,,,,CID2091388,CCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID663102,O=C(NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O)c1cccs1
+,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,CID2999109,Cc1nc2sccn2c1-c1nc(-c2cc3ccccc3o2)cs1
+,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID645015,CCN(CC)S(=O)(=O)c1ccccc1/C=N/O
+,,,,,,,,0.0,,,,,,,,,CID1478724,NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(C(F)(F)F)c1
+,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,CID675533,Cc1ccc(OCC(=O)O)c(-n2nc3ccccc3n2)c1
+,,0.0,,,,,,0.0,,,,,,,,,CID5771374,COc1cc(OC)c(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID4266511,C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3cccs3)CC2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID1487286,Cc1ccc(N/C=C(\[N+](=O)[O-])S(=O)(=O)c2ccccc2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID5295075,CC1=CC2=c3ccccc3=NC(c3ccc(N(C)C)cc3)N2N1
+,,,,,,,,,,,,,,0.0,,,CID1373010,O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID2447523,Cc1ccccc1NC(=O)Cc1nc(CCl)cs1
+,,,,,0.0,,,,,,,,,,,,CID2892039,CCOc1cc(C2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1O
+,,,,,,,,,,,0.0,,,,,,CID3097314,O=C1CC(N2CCCc3ccccc32)C(=O)N1c1ccccc1Cl
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID1246693,O=C(Cc1c(F)cccc1Cl)Nc1ccon1
+,,,,,,,,,0.0,,,,0.0,,,,CID1227774,Cn1nccc1/C=N/NC(=O)c1cc([N+](=O)[O-])nn1Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID9550717,COc1ccc(Nc2ncc(C(=O)N3CCN(c4ccccc4OC)CC3)c3ccccc23)cc1
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+,,,0.0,0.0,,,,,,,0.0,,,,,,CID663198,C=C1C2(C(=O)Nc3nccs3)CCC(C2)C1(C)C
+,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,CID806424,O=C(NC1c2ccccc2-c2ccccc21)N1CCOCC1
+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID3235941,CCOc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID661070,COc1ccc(-n2ncc3c(NC(C)C)ncnc32)cc1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2997795,CCOC(=O)c1[nH]c(CSc2nnc(-c3ccncc3)n2CCOC)c(C(=O)OCC)c1C
+,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID3236772,CCOc1ccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)cc1
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+,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID545012,Cc1c(NS(C)(=O)=O)c(=O)n(-c2ccccc2)n1C
+,,0.0,0.0,,,,,,,,,,,,,,CID658860,C=CCn1c(-c2ccccc2)n[nH]c1=S
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+,,,,,,,,,,,,0.0,,,,0.0,CID2119387,CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
+,,,,,,,,,,,,,,0.0,,,CID4882015,c1ccc(CNC2=NN=C(c3ccccc3)CS2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3720476,Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)Nc1ccc(F)cc1)C(=O)N2
+,,,,,,,,,0.0,,,,,,,,CID912235,Cn1c(=O)c2c3c(sc2n2cnnc12)CCC3
+,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,CID746295,Nn1c(Nc2ccccc2)nc2ccccc2c1=O
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID3241053,COc1cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccc(Cl)cc3)c(=O)c2cc1OC
+,,,,,,,,,,,,0.0,,0.0,0.0,,CID666564,O=C(O)CC1SC(=O)N(Cc2ccccc2)C1=O
+,,0.0,,,,,0.0,,,,,0.0,0.0,,0.0,,CID2351711,O=C(OCC(=O)N1CCCC1)c1ccco1
+,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID5503,Cc1ccc(S(=O)(=O)NC(=O)NN2CCCCCC2)cc1
+0.0,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,,CID786409,O=C(Nc1c(-c2ccccc2)nc2sccn12)c1ccccc1
+,,0.0,,,,,,,,,,0.0,,,,,CID650252,COCCn1nnnc1C(C(C)C)N(Cc1cccnc1)Cc1ccccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID740109,CCOC(=O)C1CCN(CCC(=O)Nc2ccc(Cl)cc2)CC1
+0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,,CID2231577,Cc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID2087492,Cn1c(SCC(=O)Nc2sccc2C#N)nnc1-c1ccccc1
+,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID653920,CCN(CC)C(=O)Nc1ccc2c(c1)nnn2C
+,0.0,,0.0,,,,,,,,,,,,,,CID2571257,COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(-n3cnnn3)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2055766,COc1ccc(CCNCc2ccncc2)cc1OC
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID3242138,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCC3CCCO3)c21
+,,,,,,,,,0.0,,,,,,,,CID713731,COC(=O)c1ccc(-n2nnnc2SC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2344441,O=C(O)COc1ccccc1/C=N/NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID6383490,C/C(N)=C(/C#N)C(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID661152,COc1ccc(C(C)=O)cc1CSCCC(=O)O
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID3237878,Clc1cccc2sc(N3CCOCC3)nc12
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID666977,Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CC(C)C2
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2265768,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccc(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID586902,CC(=O)Nc1ccc(OC(=O)c2ccc(Cl)cc2)cc1
+,,,0.0,0.0,,,,0.0,,,,,,,0.0,,CID3865157,COC(=O)c1ccc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID4127473,Cc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,,,,,,,,,,0.0,,,CID1475691,Cc1cc(-c2ccccc2)nc(N(C)N)c1S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID779298,O=C(O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID2904443,CC1=CC(C)(C)Nc2ccc(OC(=O)c3cccnc3)cc21
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID654247,CC(=O)C1=C(O)C(=O)N(Cc2ccco2)C1c1ccc(F)cc1
+,,,,,,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,CID2849681,CCCCNC(=O)CSc1nccn1Cc1ccccc1
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID846730,Cc1ccc(SCC(=O)NCC(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1815226,CCCCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)C(=O)N(Cc2ccco2)C1=O
+,,,,,,,,,,,,,,,,0.0,CID651377,O=C(C1CCCO1)N1CCc2ccccc21
+,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID2998558,O=C1OCCC1Sc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2268454,O=C(NCCCc1ccccc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID755990,CCN(CC)C(=O)c1ccc(C(=O)c2ccccc2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1713692,c1ccc2c(c1)c1ccccc1n2CN1CCOCC1
+,,,0.0,,,,,,,,,,,,,,CID660713,CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccc(OC(C)C)c(OCC)c3)C2C1
+,,,,,0.0,,,,,,,,,0.0,,,CID1477616,Cc1cc(C)c2c(-n3cccc3)nn(CC#N)c2n1
+,,,,,,,,0.0,,,,,,,,,CID2059454,CCSc1nnc(NC(=O)CSc2nc(C)cc(C)n2)s1
+0.0,,,,0.0,0.0,,,,,0.0,,,,,0.0,,CID3240376,CCCCOc1ccccc1NC(=O)CSc1nnnn1C(C)(C)C
+,,,,,,,,,,,0.0,,,,,,CID706391,C=CCn1c(=N)c(C#N)cc2c(=O)n3ccccc3nc21
+,,,0.0,,,,,,,,,,0.0,,0.0,0.0,CID1354922,COc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(OC)c1
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+,,,,,,,,,,,,,0.0,,,,CID825322,c1ccc2[nH]c(CN3CCOCC3)nc2c1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID3239034,COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O
+,,,,,,,,,,,,,,0.0,,,CID2400956,Cc1cc(Nc2ccc(Cl)cc2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1726610,O=C(CCC(=O)OCC(=O)c1ccccc1)Nc1cccc(Cl)c1
+,0.0,,0.0,,,,,0.0,,,,,,0.0,0.0,,CID2966478,CS(=O)(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
+0.0,,,0.0,,,,,,0.0,,0.0,,,,,,CID2389382,Nc1cc(C(=O)OCC(=O)NCc2ccco2)ccc1Cl
+0.0,0.0,,,,,,,,,,,,,,,,CID667114,Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCN(c5ccccc5)CC43)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2930420,Cc1ccc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)cc1[N+](=O)[O-]
+,0.0,,,,,,,,,,,,,,0.0,,CID2918921,COCCOC(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID28777,O=C1c2ccccc2C(=O)N1SC1CCCCC1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2950863,COC(=O)c1cc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc(C(=O)OC)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID662026,COc1ccc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc1OC
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID1835956,CCCCSc1nnc(-c2ccc(NC(=O)CC)cc2)n1C
+,,0.0,,,0.0,,,,,,,0.0,,0.0,,,CID2103175,COc1ccccc1NC(=O)Nc1ccnn1C1CCCCC1
+0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,CID652422,Cn1nccc1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
+,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,,CID657764,CCCCn1c(=O)c2c(c3ccccc31)OCC(=O)N2
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID3428586,O=C1CSC(c2ccco2)N1
+,,,,,,,,0.0,,,0.0,,,,,,CID652207,CCOC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
+,,,,,,,,,,,,,0.0,,,,CID1446601,COc1ccc(S(=O)(=O)N2CCC(O)(c3cccnc3)CC2)cc1OC
+,,,,,,,,,,,,0.0,,,,,CID5389093,CCC(Nc1ccc(Cc2ccncc2)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O
+,,,,,,,,,,,0.0,,,,,,CID1362117,COc1cc(/C=N/NC(=O)Cn2nnc3ccccc32)cc(OC)c1OC
+,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,0.0,0.0,CID2958182,C=CCn1c(SCC(=O)NC2CCCCC2)nnc1C(C)NC(=O)c1cccs1
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID648861,CCc1ccccc1N(CC(=O)NCc1ccco1)C(=O)c1snc(C(N)=O)c1N
+,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,CID2939726,C=CCn1c(SCC(=O)NCC2CCCO2)nc2scc(-c3ccco3)c2c1=O
+,,,,,,0.0,,,,,,,,,0.0,,CID2154281,CCOc1ccccc1Nc1nc(=O)c(Cc2ccccc2Cl)n[nH]1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID3236984,O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NCc1ccco1
+,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,CID977840,CS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID5308185,CCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID4530637,Cc1cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)SC(C)C3)no1
+,,,,,,,,0.0,,,,,,0.0,,,CID752685,CC(=O)NCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
+,,,,,,0.0,,,,,,,,,,,CID649712,c1cc(C(c2nnnn2C2CCCCC2)N2CCN3CCCC3C2)ccn1
+,,,,,,,,,,,,,,0.0,,,CID899011,O=c1c2c(-c3ccc(Cl)cc3)csc2nc2n1CCC2
+,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,CID2545550,COc1ccc(O)c(C(=O)c2cnc3onc(C)c3c2)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID645131,CCOC(=O)COc1nc(C)c(Br)c(OC)n1
+,,,,,0.0,,,,,,,,,,,,CID3152834,O=C1OC(Nc2ccccn2)c2ccccc21
+0.0,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID652439,CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCC(C)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID661858,O=C1CCC(=O)N1c1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
+,,,,,,,,,,,,,0.0,,,,CID898152,O=C(/C=C/c1cccc(Cl)c1)NCCc1ccccc1
+0.0,,,0.0,,,,,,0.0,,,,,,,0.0,CID649413,COCCn1nnnc1C(c1ccc(OC)cc1OC)N1CCN(c2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,0.0,,CID807430,Cn1c(=O)n(Cc2ccccc2F)c2ccccc21
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID5389458,C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0,CID666724,CSCCC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O
+,,,,0.0,,,,,,,,,,,,,CID2973241,CSc1nsc(SCC(=O)Oc2ccc(NC(C)=O)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5374477,CN(C)/C=C/C(=O)c1ccc(F)cc1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID663383,CC1(C)Cc2nc3sc4c(=O)n(CC(=O)NCc5ccco5)cnc4c3cc2CO1
+,,,,,0.0,,,,,,,,,,,,CID2218137,COc1ccccc1N1CCN(C(=O)C(=O)N/N=C/c2cccc(O)c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5348670,COC(=O)COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1
+,,,,,,,,,,,,,,,,0.0,CID2948111,CCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID786376,Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1C
+,,,,,,,,,,,0.0,,,,,,CID3238151,Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)o2)n1
+,,,,,0.0,0.0,,,,,,,,,,,CID2997603,CC1CCCN(C(=O)Cn2c(=O)oc3ccccc32)C1
+,,,,,,,,,,,,0.0,,,,0.0,CID881046,CC(=O)Nc1cc(N2C(=O)CCC2=O)ccc1Cl
+,,,,0.0,,0.0,,,,,,,,,,,CID767604,CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1nnc(C)o1
+,0.0,,1.0,,,0.0,0.0,,,0.0,,,,,,,CID654581,Cc1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1552640,COc1ccc(N2C(=O)CC3(CCCC3)CC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1903637,O=C(O)CCCNC(=O)C(c1ccccc1)c1ccccc1
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID3235824,COc1cc(OC)c(NC(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID1068733,CCOC(=O)c1c(C)n(C)c2cc(Br)c(C(=O)OC)cc12
+,,,,,0.0,,,,,,,,,,,,CID3257219,Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C(C)c2ccccc2)no1
+,,,,,,,,,,,,,,,,0.0,CID2791348,Cc1cc(C)c(C#N)c(SC2CCCCC2=O)n1
+,0.0,,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,CID1088486,CC(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID584851,CC(SC#N)C(=O)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,,,0.0,,CID5307420,CC1CCc2nn(CC(=O)NC3CCCC(C)C3C)cc2C1
+,,,,,,,,,,,,,0.0,0.0,,,CID2072960,COC(=O)c1cccc(NC(=O)CCc2ccccc2)c1
+,,0.0,0.0,,,,,,,,,,,,,,CID5308044,Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
+0.0,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,CID652971,Cc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc32)cc1
+,,,,,,,,,,0.0,,,,,,,CID1477791,c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)cc1
+0.0,,0.0,,,,,,0.0,,,,0.0,,,,,CID654173,O=C(CSc1nc2ccccc2o1)NCC(=O)c1ccccc1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID9550960,CCN1CCN(CCNC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1
+,,,,,0.0,,,,,,,,,,,,CID3193029,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc5c(c34)CCC(C)C5)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1250088,CCn1c(COc2c(C)cccc2C)nnc1SCc1nc(=O)c2ccccc2[nH]1
+0.0,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,CID597482,Cc1cc(=O)oc(C)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID843748,Cc1cc(=O)c2cccc(Br)c2[nH]1
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID1517765,COC(=O)CCC(=O)c1oc2ccccc2c1NC(=O)CCCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID2210642,O=C(/C=C/Nc1ccc(Br)cc1F)c1cccs1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID986744,COc1ccc(OC)c(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2352096,O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccnc1
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+,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,,CID659619,COC(=O)CNc1nc(-c2cccnc2)nc2ccccc12
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+,0.0,,,,,0.0,,,,,,,,,,,CID648649,N/C(Cn1nnc(-c2ccccc2)n1)=N\O
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+,,,,,,,0.0,,,0.0,0.0,,,,,,CID713294,Cc1oc2nc(SCC(=O)NC3CCCCC3)nc(N)c2c1C
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+,,,,,,,,,,,,,,,,0.0,CID3239603,CCOC(=O)c1cccnc1SCC(=O)NC(C)CC
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+,,,,,,,,,,0.0,,,,,,,CID2024504,COC(=O)C(CCSC)NC(=O)NCCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID5134472,CSc1nc2ccc(NC(=O)C3=NNC(=O)CC3)cc2s1
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+,,,,,,,,,,,,,0.0,,,,CID889227,COc1ccc2c(c1OC)C(=O)N(c1ccc(O)cc1)C2=O
+,,,,,0.0,,,,,,,,,,,,CID2131894,CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID2398767,Nc1cccc2c1C(=O)N(C(=O)c1ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c1)C2=O
+,,0.0,,,,,,,,,,,,,,0.0,CID2533776,O=C1CCCN1CCCNc1ccc(S(=O)(=O)N2CCCCC2)cn1
+,,,,,,,,,,,,0.0,,,,,CID747037,COc1cc(OC)c(-c2nc3cnccc3n2C)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID3485634,C=CCn1c(Oc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C
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+,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,,,CID2357907,CSc1ncccc1C(=O)OCc1ccccc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID651203,CC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCN(c3ccccc3F)CC1)C(=O)C(C)(C)O2
+,,,,,,,0.0,,,,,,,0.0,,,CID5553318,CCCCc1cc(=O)oc2c(CN(C)C)c(O)ccc12
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,,CID2975486,O=C1CC(c2ccc(S(=O)(=O)N3CCCCC3)cc2)CN1
+,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,CID2876217,O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)OCc1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID2434535,Cc1cc(C(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)o1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID975121,COc1ccc(Br)cc1-c1nc(C)c(C(C)=O)n1O
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,CID660331,COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21
+,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID663713,Cc1cccc2cc(COC(=O)c3ccco3)c(=O)[nH]c12
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID665888,O=C(CCCc1nc(-c2ccccc2)no1)N1CCOCC1
+,,,,,,,0.0,,,,0.0,0.0,,,0.0,,CID2876426,CCn1c2ccccc2c2nnc(SCC(=O)OCN3C(=O)c4ccccc4C3=O)nc21
+,,,,,,,,,,,,,,0.0,,,CID1311301,Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1C
+,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,CID3155626,O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID2610393,O=C(CSc1nnnn1-c1ccc(Cl)cc1)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,,,,,,,CID4567042,Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1
+,0.0,,,,0.0,,,,,0.0,0.0,,,,,,CID646118,CCc1c(C)nc2ncnn2c1NCCc1ccc(OC)cc1
+,,,0.0,,,,,,,,,,,,,,CID895390,CCNc1nc(SC(C(C)=O)C(C)=O)nc(N(C)C)n1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID4442363,COc1cc(C(=O)NCc2cn3cccc(C)c3n2)cc(OC)c1OC
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3245960,COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccc(F)cc3)CC1)oc1ccccc12
+,,,,,,,,,,,,,,0.0,,,CID715971,CC1(C)COC(/C=C/c2cccc([N+](=O)[O-])c2)=N1
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID657955,COC(=O)CN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,0.0,,,0.0,,CID2598294,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC1CCCCC1
+0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,,0.0,CID1378646,COc1cc(C(=O)Nc2cc(-c3ccccc3)[nH]n2)cc(OC)c1OC
+,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID2946750,C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1sc(N)nc1C
+,,,,,,,,,,,0.0,,,,,,CID947119,N#CC1=C(N)N(c2ccc(F)cc2)C(=O)C1
+,,,,0.0,,,,,,,0.0,,,,,,CID2197600,COc1ccccc1OCCCn1cc(C#N)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1506858,O=C(NCCc1ccccc1)c1nc(-c2cccs2)no1
+,,,,,,,,,,,,,,0.0,,,CID12004914,CCN(CC)CCCNC(=S)N1CCn2c(nc3ccccc32)C1
+,,,,0.0,,,0.0,,,,,,,,,,CID3241725,CCOc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC
+,,,,,,,0.0,0.0,,,,,0.0,,,,CID2849564,CC1CN(S(=O)(=O)c2ccccc2)CC(C)O1
+,0.0,,,,,,,0.0,,0.0,0.0,,,,,,CID973740,Cc1[nH]nc2c1C1(CCC(c3ccccc3)CC1)C(C#N)=C(N)O2
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID1366886,CCOC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CC(C)(C)OC2
+0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,CID2539416,C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1
+,,,,,,,,,0.0,,,,,,0.0,,CID2999263,CC1Cc2ccccc2N1C(=O)CN1CCc2ccccc2C1
+,,,,,,,,,,,,0.0,,,,,CID5309989,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCn3c(=O)oc4ccccc43)cc2)c1C
+,,,,,,,,,,,,,,0.0,,0.0,CID650129,Cc1ccc2cc(CN(Cc3ccc(F)cc3)Cc3nnnn3C3CCCC3)c(=O)[nH]c2c1
+,,,,0.0,,,,0.0,,,,,,,,,CID654026,CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nccn3C)cc2s1
+,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,,CID882352,N#Cc1ccc(Oc2cccc(C(=O)O)c2)cc1C#N
+0.0,0.0,,0.0,,,,,,,,,,0.0,,,,CID647225,CCCCNC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
+,,0.0,,,,,,,,,,,,,0.0,,CID3237190,COc1cc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc(OC)c1OC
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID977564,O=C(CS(=O)(=O)Cc1ccccc1)Nc1ncccn1
+,,,,,,,,,,,,,,0.0,,,CID4884550,Cc1ccccc1Nc1nc(N)nc(COC(=O)CC2CC3CCC2C3)n1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID2541756,CC(=O)N1CCN(c2ccc(Oc3nnnn3-c3ccccc3)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID6180946,CCC1SC2=NC(C)=C(C(=O)OCCOC)C(/C=C/c3ccccc3OC)N2C1=O
+,,,,,0.0,,,,,,,,,,,,CID821052,COc1cc2cc(C(=O)O)[nH]c2c(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID1510441,COc1cccc(C(=O)Nc2cnn(C(C)C)c2)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID5143484,Cc1nnc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2-c2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID3644691,CCOC(=O)C(Sc1nn(C)c(=S)s1)C(C)=O
+,0.0,,,,,,,,,,,0.0,,,,,CID3239121,CN1C(=O)CSc2ccc(NC(=O)N3CCN(c4ccccn4)CC3)cc21
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID731664,CCC(=O)Nc1c(C)cc(C)cc1Cl
+0.0,,,,,0.0,,,,,,0.0,,,,0.0,,CID660751,COCC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
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+,0.0,0.0,,0.0,,,,,,,,,,,,,CID2145577,Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccco3)nnc2s1
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+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,CID2968664,CCn1c(SCCOc2ccc(OC)cc2)nnc1C(CO)NC(=O)c1ccc(OC)cc1
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+,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,CID665842,CCOCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1
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+,,,,,,,,,,,0.0,,,,,,CID5751277,OCCNC1=C2N=c3ccc(Br)cc3=C2CCC1
+,,,,,,,,,,,,,,,,0.0,CID3244826,Cc1ccc2c(c1)NC(=O)C(N1CCOCC1)(C(F)(F)F)O2
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+,,,,,,,,,,,,,,,,0.0,CID2997875,FC(F)(F)c1cnc2c(c1)Nc1ccccc1S2
+0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,CID1290567,O=C(CSc1nnc(CN2CCOCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,,,CID567572,CCOC(=O)c1c(CN2CCN(C)CC2)n(C)c2cc(Br)c(OC)cc12
+,,0.0,,,,,,,,,,,,,,,CID4067160,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)c1ccccc1
+,,,,,,,0.0,,,0.0,,,,0.0,0.0,,CID568906,O=C1CC(c2ccccc2)CN1C(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID6418527,Cc1ccc(-c2nnc(N3CC(C)OC(C)C3)c3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID1388417,Cc1ccc(SCc2cc(=O)nc(Nc3nc(C)c4cccc(C)c4n3)[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3743145,CC(Oc1ccccc1)C(=O)NNC(=O)c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID2848707,Cc1ccc([N+](=O)[O-])cc1NC1OC(CO)C(O)C1O
+,,0.0,,,,,,,,,,,0.0,,,0.0,CID5308324,CCOc1ccc(N(CC(=O)NC(C)CC)S(=O)(=O)c2c(C)noc2C)cc1
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+,,0.0,,,,,,,,,,0.0,,,,,CID648341,CCCCCCc1c(O)[nH]c2ccccc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID5307472,O=C(Cn1cc2c(n1)CCCC2)NC1CCCCCC1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID2999434,CC(C)Cn1c(SCC(=O)NC(=O)NC2CCCC2)nc2ccccc21
+,,,,,,,,0.0,,,0.0,,,,,,CID692182,Cc1c(C(=O)OC(C)C)nnn1-c1nonc1N
+,,,,,,,,,,,,,0.0,,,,CID680922,COC(=O)N(C)c1ccccc1C(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID772016,CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1887739,Cc1oc2nc(SCC(=O)NCCCO)nc(N)c2c1C
+,,,,,,,,,,,,,0.0,,,,CID2665614,COc1ccc(OCCCC(=O)Nc2cccc(SC)c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID4895986,COc1ccccc1C(=O)N1C(CC(=O)Nc2cc(Cl)ccc2C)C(=O)NC2CCCCC21
+,,,,,0.0,,,,,,,,,,,,CID2829750,CC(C1CC1)N(Cc1ccccc1)C(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2215630,C=CCOc1ccc(CNc2nccs2)cc1OC
+,0.0,0.0,,,,,,,,,,,,,,,CID2861706,O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1Cc1ccccc1
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID3238835,Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
+0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID1318179,Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCOCC2)cc1
+,,,,,0.0,,,,,0.0,,,,,,0.0,CID649612,CCOc1ccc2nc(NC(=O)CSc3nnc(-c4ccncc4)n3CC3CCCO3)sc2c1
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+0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,CID2999406,COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c1
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+,,,,,,,,0.0,,0.0,,,,,,,CID846054,CC(C)CC(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID3155707,Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21
+0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID1265763,CCN1CCN(c2ncnc3c2sc(=S)n3-c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2862265,CC(=O)C1=C(C)NC(SCC(=O)c2ccc(-c3ccccc3)cc2)=C(C#N)C1c1cccnc1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID660035,Cc1ccc2c(C(=O)CN3CCN(c4ccccc4)CC3)c(C)[nH]c2c1
+,0.0,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,CID893444,CCCn1c(CCC(=O)O)ccc1-c1ccc(OC)cc1
+,,,,,0.0,0.0,,,0.0,0.0,,,,,,,CID2849492,CC(O)(C#CCN1CCCC1)c1ccccc1
+,,,0.0,,,,,,,,,,0.0,,0.0,0.0,CID1379029,Cc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)N1CCOCC1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID662146,COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1
+,,,,,,,,0.0,,,,,,,,,CID3239847,O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCc2ccccc2C1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID3242008,CCCCOn1c(C)c(C(=O)OCC)c2c3no[n+]([O-])c3ccc21
+,,,,,,,,,0.0,,,,,,,,CID3237011,CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC
+,,,,0.0,,,,,,,,,,,,0.0,CID1075491,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccc4OC)CC3)CC2)cc1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID607541,O=C1CCNc2cc3ccccc3cc21
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID2452527,Cc1csc(NC(=O)c2cc(C)oc2C)n1
+,,,,0.0,,,,,,,,0.0,,,,,CID4674565,CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID3241970,O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
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+,,,,,,,0.0,,,,,,,,,,CID5405918,CC1=CC(OCc2ccc(F)cc2)=N/C(=C2/C=CC=CC2=O)N1
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+,,,,,,,,,,,,,,0.0,,,CID787796,COc1ccccc1CC(=O)Nc1c[nH]c(=O)[nH]c1=O
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+,0.0,,,,,,,0.0,,,,,,,,0.0,CID702289,Nc1nnc(Cc2ccc(Cl)cc2)s1
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+,0.0,0.0,,,,,,,,0.0,,,,,,,CID648463,CCN(Cc1ccccc1)C(c1ccncc1)c1nnnn1C(C)(C)C
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+,,,,,,,0.0,0.0,,,0.0,,,,,0.0,CID3239825,Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCCC3C(=O)O)cc2)n1
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+,,,,,,,,,,,,0.0,,,,,CID5310388,CCN1CCN(CC(=O)Nc2cccc(C)c2C)C(=O)C1=O
+,,,,,,,,,,,,,0.0,,,,CID847922,Cc1cc(NC(=O)c2ccccc2O)nc(C)n1
+,,,,,0.0,,,,,,,,,,,,CID2888212,CCOC(=O)C(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CC
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+,,0.0,,,,,,,,,,,,,,,CID5389502,C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2cc(OC)ccc2OC)C1=O
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+0.0,,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,CID645989,CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2cccnc2)Cc2ccc(C)o2)C1=O
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+,,,,,,,0.0,,,,0.0,,0.0,,,,CID647458,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccco3)cc2c1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID768473,CCN(CC)CC(=O)c1ccc(-c2ccccc2)cc1
+,,,,,,0.0,,,0.0,,,,,,,,CID762871,CNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1
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+,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,,CID665718,c1ccc(-c2nn3c(-c4ccco4)nnc3s2)nc1
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+,,,,,,,,,,,,,,0.0,,,CID2937751,CC1CCc2c(sc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c23)C1
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+,,,,,0.0,,,,,,,,,,,,CID1079139,c1cncc(-c2nc3c(ccc4ccccc43)[nH]2)c1
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+,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,CID868022,CC(=O)CCc1c(C)[nH]c2ccc(NC(C)=O)cc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID9550963,COc1ccc(-c2nc(CN3CCCC(C(=O)NC4CCCC4)C3)c(C)o2)cc1
+,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,CID1244240,Cc1noc(C)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID2160948,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1c(-c2ccccc2Cl)noc1C
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+,,,,,0.0,,,,,,,,,,,,CID2980039,CC1CC(=O)c2cnc(N3CCOCC3)nc2C1
+,,,,,,,,,,,,,0.0,,,,CID2241479,COc1ccc(NC(=O)c2ccc(CNS(=O)(=O)c3cccc(OC)c3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2870842,CNC(=O)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
+,,,,,0.0,,,,,,,,,,,,CID818597,O=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID898201,O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID3220710,COc1ccc(NC(=S)N2C3CCC2CC(NC(=O)NC24CC5CC(CC(C5)C2)C4)C3)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2211859,CC(=O)Oc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1C
+,,0.0,,,,,0.0,,,,,,,,,,CID650804,Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID4658214,O=C(C(Sc1ccccc1)c1ccc(Br)cc1)N1CCOCC1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID851613,Cc1ccc(NC(=O)c2ccc(CSc3nnnn3C)cc2)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID646066,N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C12C(=O)Nc1ccccc12
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,0.0,CID2403325,O=C(CSc1nc2ccccc2o1)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID3765222,C=CCSc1nc(NC)c2sccc2n1
+,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,,CID2368506,Cc1n[nH]c(SCC(=O)N(C)Cc2ccccc2)nc1=O
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+0.0,,,,,,,0.0,,,,0.0,,,,,,CID675735,Cc1cc(C)n(C(=O)c2ccc(NC(=O)C3CC3)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2935465,O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCCC1
+,0.0,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,CID1246767,Cc1noc(C)c1C(=O)Nc1ccon1
+,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0,,CID1287334,COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccccc2)o1
+,,,,,,,,,,,,,0.0,,,,CID2531772,CC(=O)N(C)Cc1ccc(C(=O)CCl)cc1
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+0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID2955508,Cc1c(NC(=O)CSc2nncc3ccccc23)c(=O)n(-c2ccccc2)n1C
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+,,,0.0,,,,,,,,,,,,,,CID845593,Nc1cc(N)nc(SCc2cccnc2)n1
+,,0.0,,,,,,,,,,0.0,,,,,CID650254,O=C1CC(=O)N(Cc2cccs2)C(=O)N1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID3155094,Cc1cc(Nc2cccc(C)c2C)n2ncnc2n1
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+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3241827,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(Br)cn1
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+,,,,,0.0,,,,,,,,,,,,CID3208298,CCc1cc2cc3c(cc2nc1SCC(=O)Nc1nccs1)OCO3
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID2918918,COCCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1
+,,,,,,,,,0.0,,,,,,,,CID2961828,Cc1nc2ccccc2n1C1CC(=O)N(Cc2ccccc2)C1=O
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+,,,,,,,,,,0.0,,,,,,,CID4748886,CC1CCc2c(sc(NS(=O)(=O)c3ccccc3)c2C(=O)OC(C)C)C1
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+,,,,,,,,,,,,0.0,,,,,CID667328,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCO)CC(C)O1
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+,,,,,0.0,,,,,,,,,,,,CID1541054,CCOc1cccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)c1
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+,,,,,,,,0.0,,,,,,,,,CID698750,CC(=O)CSc1nsc(SCC(C)=O)c1C#N
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID1984190,COc1ccc(-n2ncc3c(N4CCN(c5cc(C)ccc5C)CC4)ncnc32)cc1
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+0.0,,,,,,0.0,,,,,,,,,,,CID654651,Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCc3ccccc3C2)cc1
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+0.0,,,0.0,,,,,,,,,0.0,,,,0.0,CID651777,COc1ccc(OC)c(NC(=O)CCN2CCN(c3ccccc3)CC2)c1
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+,,0.0,,,,,0.0,,,,,,,,,0.0,CID659875,CN(C)CC#CCOCCOCCC#N
+0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,,CID2084184,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(C#N)c1
+,,,,,,,,,,,0.0,,,,,,CID1086995,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3nnc4ccccc4n23)c1
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+,,,,,0.0,,,,,,,,,,,,CID5605146,Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C/C=C/c2ccccc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID3244566,CCOC(=O)N1CCC(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2451037,O=C(COc1nncc2ccccc12)Nc1ccc(Br)cc1F
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID839489,COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,CID666830,O=c1nc(N2CCc3ccccc3C2)[nH]c2c1CCC2
+,0.0,0.0,,,,,,,0.0,,0.0,0.0,,,,,CID746659,Cc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
+0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID647820,CCn1c(COc2ccccc2C)nnc1SCC(=O)N1CCCCC1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID733023,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID1009776,COc1ccccc1CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,,0.0,,CID1376354,COc1ccc(CN2CCN(c3ccccn3)CC2)cc1OCc1ccccc1
+,,,,,,,,,,0.0,,,,,0.0,,CID2945965,CC(c1ccccc1)n1c(-c2ccncc2)n[nH]c1=S
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID811240,Cc1nnc(NC(=O)COc2ccccc2)s1
+,,,,,,,,,,,0.0,0.0,,,,,CID654912,Cc1cc(C)nc(SCc2ccc(C(=O)O)o2)n1
+,0.0,,,,,,,,,,,,,,,,CID2951314,CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID5307939,COc1cc(OC)c(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID4322088,CN(C)S(=O)(=O)Oc1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
+0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,,CID2558669,Nn1c(SCC(=O)NC(=O)NC2CCCC2)nnc1-c1ccccc1F
+,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,CID665926,COCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID16188149,COc1cc(/C=N/NC(=O)C(=O)NCC2CCCO2)ccc1OCC(=O)N1CCOCC1
+,,,,,,0.0,,,,,,,0.0,,,,CID741871,CCC(=O)Nc1sc2c(c1C#N)CC(C)(C)NC2(C)C
+,,,0.0,,,,0.0,,0.0,,,,0.0,,,,CID662288,CCC(C)NC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
+,,,,,,,0.0,,,,,,,,,0.0,CID657561,COC(=O)CCCNC(=O)CN1CC(c2ccccc2)CC1=O
+0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,0.0,CID2224537,O=C(CCn1c(=O)oc2ccccc21)Nc1cccc(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID5395428,Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3ccccc3)[nH]c2n1
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID3236752,COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID654175,Cc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1
+,,,,,,,,,,0.0,,,,,,,CID3162313,COC(=O)C1C(=O)c2c([nH]c(C(=O)OCCSC)c2C)CC1C
+,,0.0,,,,,0.0,,,,,,,,,,CID655980,COc1cccc(-c2nnn(CCC(=O)O)n2)c1
+0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0,CID654294,COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccc(OC)cc3)CC2)cc1
+,0.0,,0.0,,,,,,,0.0,0.0,,,,,,CID658742,CCOC(=O)c1cc(C)n(Cc2cccc(OC)c2OC)c1C
+0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID2997864,CC(C)NC(=O)CSc1nc2ccccc2n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1649169,CCCCCCCCCC(=O)Nn1cnc2ccccc2c1=O
+,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,CID991488,O=c1c2ccccc2nc(CN2CCCCCC2)n1-c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID7313810,Cc1cc(C)n2[nH]c(=O)c(/N=N/c3ccc(S(N)(=O)=O)cc3)c2n1
+,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,,CID1260937,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c3ccccc23)CC1
+0.0,,,,,,,,,,,,,,,,,CID1375730,COc1cccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID5307389,COc1cccc(CNC(=O)Cn2c(=O)oc3ccccc32)c1OC
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID2999785,CCCCn1c(SCC(=O)N(CC)C2CCS(=O)(=O)C2)nnc1C(CC)N(C)C
+,,,,,,,,,,,0.0,,,,,,CID1613606,Cc1ccc(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)cc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID718731,c1ccc(OCc2nc(-c3cccs3)no2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID869691,CCOc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID3236489,O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CCc2ccccc2C1
+,0.0,,,,,0.0,,0.0,,,,,,,0.0,,CID650041,COc1ccccc1NC(=O)CSc1nc(O)cc(=O)[nH]1
+,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,CID3237126,O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCCCC1
+0.0,,,0.0,,,,,,,,,,,,,,CID5309217,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCCC3)sc21
+,,,,,0.0,,,,,,,,,,,,CID798574,O=c1c2c(nc3cc(-c4cccs4)[nH]n13)CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2983450,Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID849850,COc1cc(OC)c2c(OC)cccc2n1
+,,,,,,,,,0.0,,,,,0.0,,,CID1485904,CNc1ncc(C(=O)C(C)(C)C)s1
+0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,CID2139613,Cc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1
+,,,,,,,,,,,0.0,,,,,,CID9551278,Cc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccnc2)cc1C
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,CID2285157,Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID1069465,N#Cc1c2n(c3c(=O)n(Cc4ccc(Cl)cc4)cnc13)CCCCC2
+,,,,,,,,,,,,,0.0,,,0.0,CID2549728,O=C(CCN1C(=O)c2ccccc2C1=O)OCn1nnc2ccccc2c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID2950078,Cc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)s1
+0.0,0.0,,,,,,0.0,,,0.0,,,0.0,,,,CID2080232,O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)OCO2
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID655048,COc1ccc(NC(=O)c2cccs2)cc1O
+,0.0,,,,,,0.0,,,,,,,,,,CID3243530,Cc1cc(=O)oc(C)c1C(=O)NCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1046842,COc1ccc(-n2nnnc2-c2cnc3cc4c(cc3c2C)OCO4)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID661193,Cc1cccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)c1
+,,0.0,,,,,,0.0,,,,,0.0,,,,CID2369268,Cc1ccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)s1
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,,CID3241954,COc1cccc(NC(=O)CNS(=O)(=O)c2ccc3nc(C)sc3c2)c1
+,,,,,,,,,,,,,,0.0,,,CID697067,C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cccs1
+0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,CID975512,Cc1cc2oc(C(=O)Nc3cccnc3)c(C)c2cc1C
+,,,,,,,,,,,,,0.0,,,,CID3153712,O=C(Nc1nnc(-c2ccccc2Cl)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,,CID737203,Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
+,,,,,,,,,0.0,,,,,,,,CID4256446,CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Sc1ccc(C)cc1
+,,,,,,,,0.0,,,,,,,,,CID1602827,CCCOc1ccccc1N/C(=N\C(=O)COc1ccc(OC)cc1)Nc1nc(C)cc(C)n1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID760743,COc1ccc(/C(C)=N/n2cnnc2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID3242556,CCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID5757392,O=C1Nc2ccccc2C(=O)/C1=C(\O)NCC1CCCO1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID648193,CN(C)c1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2967912,C=CCN1C(=O)C(O)(CC(=O)c2ccc(OC)cc2OC)c2cc(Br)ccc21
+,,,,,,,,,,,,,,0.0,,,CID1832159,COc1cccc(-c2noc(CCCC(=O)N3CCOCC3)n2)c1
+,,,,,0.0,,,,,,,,,,,,CID788928,COc1ccc(C(=O)Nc2nc3ccccc3s2)c(OC)c1
+,,,0.0,,,,,,0.0,,,,,,,,CID649144,CCCc1nnc(NC(=O)C2CCCO2)s1
+,,,,,,,,,,,,,,0.0,,,CID1468186,Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1cccc(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID2842666,CCC(C)c1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2467959,CN(Cc1cccs1)C(=O)CSc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID822887,COc1ccccc1N1CCN(C(=O)CCC(=O)O)CC1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID649847,CC(C)CCNc1ncnc2c1nnn2Cc1ccccc1Cl
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID746207,N#Cc1c(-c2ccco2)c2c([nH]c1=S)CCCC2
+,,,,,,,,,,,,,,,0.0,,CID1249778,CC(C)NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1
+,,,0.0,,,,,,,,,,,,,,CID1258612,O=S(=O)(Nc1ccc(F)cc1)N1CCCCCC1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID853565,NC(=O)CCS(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2199176,CC1(C)NC(=O)N(CCOCCOc2ccccc2)C1=O
+,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID870802,CC1(C)CC(=O)C(=CNc2ccc3cn[nH]c3c2)C(=O)C1
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+,,,,,,,,,,,,,,,,0.0,CID651318,CCC(C)C(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID40672,CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccncc1
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+,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,CID2815112,CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(=S)[nH]c(=O)c1C2c1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID534563,O=C1c2sc3nc4n(c(=O)c3c2CCC1Br)CCCCC4
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID652655,COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(C)cc2)c2ccccc21
+,0.0,,,,,0.0,,,,0.0,,0.0,,,,,CID2363184,O=C(CSc1nnc2ccccn12)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,,0.0,,CID4994889,CCCS(=O)(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID598160,Cn1c(CNC2CCCCC2)c(C#N)c2ccccc21
+0.0,,,,,,,,,,,,,,,,0.0,CID665419,COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(C)cc2)n1Cc1ccco1
+,,,0.0,,,,,,,,,,0.0,,,,CID5389606,CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(c3nc(C)c(C)s3)C2c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1174866,CNC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O
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+,0.0,0.0,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,CID649789,CCOc1ccccc1C1C(C(=O)OC)=CN(C)C=C1C(=O)OC
+,,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID665427,Clc1ccccc1-c1nnc2sc(-c3ccccn3)nn12
+0.0,,,,,,,,,,,0.0,,,0.0,,0.0,CID622051,N#CC1=C(Nc2ccc(Br)cc2)CCC1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID2966650,CCCN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21
+,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0,CID733980,O=S1(=O)N=C(Nc2ccc(N3CCOCC3)cc2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2767872,COC(=O)c1ccc(NC(=O)c2ccccc2)o1
+,,,,,,,,,,,,,0.0,,,,CID1184262,Cc1ccc(-c2csc3nc(SCC(=O)N(C)C)n(Cc4ccccc4)c(=O)c23)cc1
+0.0,,0.0,,,,0.0,0.0,,,,,,,,,,CID2363702,Nc1c(NCCC2=CCCCC2)c(=O)[nH]c(=O)n1Cc1ccccc1
+,,,,0.0,,,,,0.0,,0.0,,,,,0.0,CID1356021,Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc2s1
+,,,,,,,,,,,,,0.0,,,,CID2956052,Fc1ccc(N2CCN(C(=S)NCC3CCCO3)CC2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID658149,CC(=O)c1ccc(C(C)(C)c2ccc(C(C)=O)s2)s1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID2701553,CCSc1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc(F)cc2)s1
+,0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,CID663318,CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2914304,CC(CC(=O)NCC1CCCO1)c1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,,CID3241348,COc1cccc(-c2cc(C(=O)Nc3cc(C)on3)no2)c1
+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID3237429,COc1ccc(C(CC(=O)O)NC(C)=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2262647,Cc1ccccc1/C=C1\S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID848952,CSc1nc2sc(-c3ccccc3)cc2c(=O)n1N
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID2858297,COc1ccc(C(O)c2nccn2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID653841,Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1
+0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,CID2586240,O=C1c2ccccc2C(=O)N1CCSc1nnc(-c2ccco2)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID662435,Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccs1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID2911378,C=CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3239138,COc1ccc(C2C(C(=O)N3CCCC3)CC(=O)N2c2ccc(OC)cc2)cc1
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+,,,,0.0,0.0,,,,,,,0.0,,,,,CID645698,Cc1cc2c(cc1C)N(CC(=O)N1CCCC1)C(=O)CC(c1ccccc1)=N2
+,,,,,,0.0,,,,,,,,,,,CID666940,CSCCC1NC2(C(=O)Nc3c(C)cc(Cl)cc32)C2C(=O)N(C3CCCC3)C(=O)C12
+,,,,,,,,,0.0,1.0,,0.0,,0.0,,,CID5771468,CCOc1ccccc1C1C(C#N)=C(N)N=C2ONC(c3ccccc3)=C21
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0,CID741282,CCOC(=O)c1c(N)c(C#N)c2n1CCCCC2
+,,,,,,,,,0.0,,,0.0,,,,,CID647211,O=C(O)CCN1CCc2ccccc21
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID646391,COc1ccc(N2CCN(C(=O)CSc3ncccc3-c3nc4ccccc4[nH]3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2217611,CCCCN(c1ccc(C(=O)OC)cc1)S(=O)(=O)c1ccccc1
+0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,CID2084150,CCCn1nnc(NCc2ccc(OCc3cccs3)c(OC)c2)n1
+,,,,,0.0,,,,,0.0,,,,,,,CID977550,Cc1nnc(SCC(=O)NCc2ccco2)n1-c1ccccc1
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID3243706,Cc1ccc(CN2CCN(CC(=O)NCc3ccc(Cl)cc3)C2=O)cc1
+,0.0,,,,,,,,,,,,,,,,CID2974776,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NCc2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1851524,COc1ccc(Cl)cc1NC(=S)NCc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID3243152,O=C(NCc1ccc(F)cc1)C1C2C=CC3(CN(Cc4cccnc4)C(=O)C13)O2
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID601392,O=C1NC(=O)C2C3c4ccccc4C(c4ccccc43)C12
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID2560825,CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID5308630,O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCOCC1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID644557,O=C(NCCC1=CCCCC1)c1ccc(CN2CCOCC2)cc1
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID710311,N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCCC2
+,,0.0,,,,,,,,,,,,,,,CID5389367,CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID3244830,Cn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
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+,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,CID653435,CCC(C)(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
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+,0.0,,,,,,,0.0,0.0,,,,,,,,CID663442,CCCc1nnc(NC(=O)CCC(=O)N2CCCCC2CC)s1
+,,,,,0.0,,,,,,,,,,,,CID6619472,O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCc1ccco1
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,CID646752,COc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)cc1
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+0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID753212,CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c[nH]n2c1=O
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+,,,,,,,,,,,,,,0.0,,,CID16187223,Cc1ncc(CN2CCN(C(C)C)C(CCO)C2)s1
+,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,CID3243252,CCOC(=O)CSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c(=O)n1-c1ccccc1
+,,,,0.0,,,0.0,,0.0,,,,,0.0,,,CID2963984,COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
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+,0.0,,,,,,,,,,,0.0,,,,,CID654768,CC(=O)NC1(c2ccccc2)CCN(Cc2nnnn2C(C)(C)C)CC1
+,,0.0,,,,,,,,,,,,,,,CID4123229,Nc1sc2c(c1C(=O)NC1CCS(=O)(=O)C1)CCCC2
+,,,,,,,0.0,,,,,,,,,,CID2974492,CC12CCC(C(=O)NC3CCCC3)(CC1=O)C2(C)C
+,,,,,0.0,,,,,,,,,,,,CID1367498,Cc1ccc(OCc2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C
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+,,,,,,,0.0,,,,,,,,0.0,,CID5307780,CC(C)NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1
+,,,,,,,,,,,0.0,,,,,,CID875154,Cc1ccnc(NC(=S)NC(=O)c2ccco2)c1
+0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0,0.0,CID779239,O=C1C(Cl)=C(N2CCCCC2)C(=O)N1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID867848,CC(=O)/C=C1/SC=C(c2ccccc2)N1c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1483987,CCOC(=O)CSc1ncc(-c2ccccc2)cn1
+,,,,,,,,,,,,,,0.0,,,CID2872705,CC1=C(C(=O)OCC2CCCO2)C(c2ccsc2)C2=C(CC(C)(C)CC2=O)N1
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+,,,,,0.0,,,,,0.0,0.0,,,,,,CID4143050,CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2422420,CCOC(=O)c1ccc(NC2=NS(=O)(=O)c3cc(F)ccc3S2)cc1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID3240198,Cc1ccc(C)c(N2CCN(c3cc(C)nc4nnnn34)CC2)c1
+0.0,,0.0,,,0.0,,,,,,,,,,0.0,0.0,CID2090441,Cc1cc2oc(=O)cc(CN3CCN(Cc4ccccc4)CC3)c2cc1Cl
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+,0.0,,0.0,,,,,,,,,,,,,0.0,CID3241223,CCOC(=O)N1CCN(C(=O)Cn2nc(C)c3sc4ccccc4c3c2=O)CC1
+,,0.0,0.0,,,,,,,,,,,,,,CID653848,COc1ccc(-c2nnco2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID990032,CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O
+,0.0,,,,,,,,0.0,,,0.0,,,0.0,,CID740366,CCOC(=O)c1ccc(CSc2n[nH]c(C)n2)o1
+,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2982332,C=CCNC(=O)c1ccc(C)c(Br)c1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID761945,COCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
+,,,,,,,,,,,,,,,,0.0,CID3240013,O=C(c1ccc(COCC(F)(F)F)o1)N1CCCCCC1
+,,,,,,,,,,,,,0.0,,,,CID11958440,CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(Cl)cc3)n2)s1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID3236331,CN(C(=O)COc1cccc(Br)c1)C1CCS(=O)(=O)C1
+,,,,,,,,0.0,,,0.0,,,,,,CID3073045,O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID2110139,Cc1nc(Nc2ccccc2C(F)(F)F)sc1C(=O)N(C)C
+,,,,,,,,,,,,,,0.0,,,CID798587,O=c1c2c(nc3cc(-c4ccccc4Cl)[nH]n13)CCS2
+,,,0.0,,,,,,,,0.0,,,,,,CID652467,CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2845562,CC1(C)C2CC=C(CN3CCC(O)CC3)C1C2
+,,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID1088328,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID2959948,O=C(NNc1ccc(C2CCCCC2)cc1)C(O)(c1ccccc1)c1cccs1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID852308,CC(C)Sc1cc(N2CCOCC2)nc(-c2ccc(Cl)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID9587071,Cc1ccc(Oc2ccc(/C(N)=N/O)cc2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2431399,CCCN(CC1CC1)C(=S)NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID1039727,CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cn2)ccc1C
+,0.0,,,,0.0,,,,,,0.0,0.0,,,,,CID663161,Cn1c(/C(C#N)=C/Nc2ccccn2)nc2ccccc21
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID2982352,CCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O
+,,,,,,,,,,,,,,0.0,,,CID1488393,Cc1cc(C(=O)CS(=O)(=O)c2ccc(F)cc2)cc(C)c1OC(=O)N(C)C
+,,,,0.0,,,,,,,,0.0,,,,,CID3315129,COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1O
+,,,,,,,,0.0,,,,,,,,,CID2056359,O=C(NCc1ccccc1)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
+,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,CID648979,C=CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC
+,,,,,,,,,,,,,0.0,,,,CID5158096,CCN(C(=O)CSc1nnc(-c2ccccc2)n1C)C1CCS(=O)(=O)C1
+,0.0,,,,,,,,,,,0.0,,,,,CID3241753,O=C(NCC(c1cccnc1)N1CCOCC1)c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID5308727,CC(=O)OCCNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3
+,,,,,,,,,,,,,0.0,,,,CID2179207,CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cccs1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID673638,CC1=CC(C)(C)N(C(=O)CSc2ncn[nH]2)c2ccccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID1204652,CCOC(=O)Cn1c(=O)c(-c2ccccc2NCc2ccccc2)nc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID1738426,CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(/C=N/NC(=O)c3ccc(Cl)cc3)cc2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2906619,C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCCN1CCOCC1
+0.0,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,0.0,CID645403,O=c1cc(CSc2nnc(COc3ccccc3)o2)c2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID993507,Cc1ccc2nc(SCc3nc4n(-c5ccccc5)[nH]cc-4c(=O)n3)[nH]c2c1
+,,,,,,,,,,,,,,,0.0,0.0,CID1119557,CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ncn[nH]1
+,,,,,,,,,,,,,0.0,,,,CID1222721,O=C(Nc1ccccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID2970180,CCOC(=O)c1sc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(C(=O)OCC)c1C
+,,,,,,,,,,,,,0.0,,,,CID3275569,CCOC(=O)C1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)CC1
+,,,,,,,,,,,,,,,0.0,0.0,CID1067975,CCOc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
+,,,,,0.0,,,,,,,,,,,,CID710349,Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(C(C)(C)C)cc1
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,CID3236725,CCCCNC(=O)c1sc2nc(C)cc(COC)c2c1-n1cccc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID649307,CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6506237,CC1=NC(=O)NC(=O)/C1=C\NNC(=O)C(C)NC(=O)OC(C)(C)C
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID745958,COC1(c2cc(-c3ccccc3)nc(N)n2)CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2109452,CN1C(=O)/C(=C\c2cc(Br)cs2)c2ccccc21
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID1490213,O=c1cc(-c2ccccc2)n(S(=O)(=O)c2ccccc2)o1
+,,,,,,,,,0.0,,,0.0,,0.0,0.0,0.0,CID717657,COC(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
+,,0.0,,,,,,,,,,,,,,,CID2063840,CCCCn1nc(CC(=O)O)c2ccccc2c1=O
+,0.0,,,,,,,,,,,,,,,,CID646988,CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCN2CCOCC2)CC1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID5308500,COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID2214681,COc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1
+,,,,,0.0,0.0,,,,,,,,,,,CID608301,CCCc1nc2c(=O)[nH]c3ccccc3c2o1
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID2942011,O=C(O)CCC(=O)NCC1OCCc2ccccc21
+,,0.0,,,0.0,,,,,,,,,,,,CID3240459,CCOc1ccc(CCNC(=O)C2CCN(S(=O)(=O)CC)CC2)cc1OCC
+0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,CID658248,Clc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
+,,,,,,,,,,,,,0.0,,,,CID2386389,Cc1cc(C)cc(NC(=S)NCc2ccncc2)c1
+,,,,,,,,,,,,,0.0,,,,CID799264,CC1(CC(=O)N/N=C/c2ccc(-c3ccc(Cl)cc3)o2)OCCO1
+0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,0.0,CID665646,CCCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID2531382,Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3)C2=O)c(C)n1Cc1ccc2c(c1)OCO2
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID1091512,COc1ccc(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)cc1
+,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID644516,Fc1ccc(CSc2nnc(-c3cccs3)o2)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID5309661,CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID2966619,CCOC(=O)c1sc(NCC2CCCO2)nc1C
+,,,,,,,,0.0,0.0,,,,,,,,CID807518,CCCc1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID646965,CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(N(C)C)cc1
+,0.0,,,,,,,,,,,0.0,0.0,,,,CID2998644,O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nc2ccccc2[nH]1
+,0.0,,,,,,,,,,,0.0,,,,,CID666822,CCN1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID4192159,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2ccccc2)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID1246090,CCOC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
+,,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID1083014,CCOC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID2230378,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(=O)NC(C)C
+,0.0,,,,,0.0,,,,,,,0.0,,0.0,,CID649448,CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
+,,,,,0.0,,,,0.0,,,0.0,,,,0.0,CID2936743,COc1ccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)c(OC)c1
+,,,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,CID803187,O=C(O)c1ccc2oc(SCC(=O)N3CCCCC3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID1369626,O=C1/C(=C/c2ccccc2Cl)SC(=S)N1c1ccc(O)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3197339,O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)Cc1ccccc1)Nc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID979432,CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID3142098,Cn1ccnc1SCC(=O)Nc1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID2998559,O=C(C1CSC2(c3ccc(F)cc3)CCC(=O)N12)N1CCCCCC1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID661521,N#Cc1nc(COc2ccccc2)oc1NCCCn1ccnc1
+0.0,,,,,0.0,,0.0,,,,,,,,0.0,,CID5309708,CC(C)(C)C1CCc2c(sc(NC(=O)c3cc(C4CC4)on3)c2C#N)C1
+,,,,,,,,,,,,,,0.0,,,CID5734232,COc1ccc(N/C(C)=C/C(=O)c2ccccc2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID1282336,O=S(=O)(c1ccc(Br)s1)N1CCc2ccccc2C1
+,0.0,,,,,,,,,,,,,,,,CID5308861,CC1CCCC(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)C1C
+,,,,,,,,,,,,,0.0,,,,CID16196483,CC(C)CC(NC(=O)c1[nH]cnc1C(=O)NC(C)c1ccccc1)C(=O)OC(C)(C)C
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+,,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID1246102,O=C(Cc1cccs1)Nc1ccon1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID892732,COc1cccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1
+,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,CID3238895,Cc1csc2ncc(C(=O)NCc3ccco3)c(=O)n12
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+,,,,,,0.0,,,,,,,,,,,CID5389643,CC(NCC1CCCO1)=C1C(=O)N(C)C(=O)N(C)C1=O
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+,,,,,,,,,,,,,,0.0,,,CID2371424,O=C(COC(=O)c1cc(=O)[nH]c2ccccc12)Nc1nc(-c2ccccc2)cs1
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+,,,,,,,,,,,,,0.0,,,,CID5884223,CC1=C(C#N)C(=O)NC(=O)/C1=C\c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1
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+0.0,,,,0.0,0.0,,,,,,,,,,,,CID705154,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccc2)c1C
+,,,,0.0,,0.0,,,0.0,,0.0,,,,,,CID848741,c1ccc(-c2nnc3sc(-c4cc5ccccc5o4)nn23)cc1
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+0.0,,,,,,,,,,,,,,,,,CID3236778,COC(=O)c1ccc(-c2ccco2)n1Cc1nc(-c2ccc(OC)c(OC)c2)oc1C
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+,,,,0.0,0.0,0.0,,,,,,,,,,,CID2089966,Cn1c2ccccc2c2cc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)sc21
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+,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID666629,Cc1nc2nc3c(c(=O)n2[nH]1)CCC3
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+,,,,,,,0.0,,,,,,,,,,CID2902254,CC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID3243767,CCS(=O)(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
+0.0,,,,0.0,0.0,,,,,,,,0.0,,,,CID653662,O=S(=O)(Cc1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1
+0.0,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,CID2838665,CCCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O
+,0.0,,,,,,,,,,,,,,,,CID661496,COc1ccccc1OCc1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
+,,,,,0.0,,,,,,,,,,,,CID1350448,CCOc1ccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c(OCC)c1
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+0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,CID2078305,O=C(CCC(=O)c1cccs1)Nc1nnc(C2CC2)s1
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+,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,CID661210,COc1cc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc(OC)c1OC
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID648974,CC(=O)NC1CC2CCC(C1)N2Cc1ccc(C)cc1
+,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2950701,CN(C)CCNc1oc(COc2ccc(Cl)cc2)nc1C#N
+,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID3238489,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)cc1
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+0.0,,,,,0.0,,0.0,,,0.0,,,,,,,CID873555,COc1cc(NC(=O)Nc2ccccc2)c(C(=O)O)cc1OC
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+,,,,,0.0,,,,0.0,,,,,,,,CID2213039,Cc1cccc(C(=O)NCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)c1
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+,,0.0,,,,,,,,,,,,,,,CID659669,CCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID900529,Cc1ccc(SCCC(=O)N2CCC(C)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1129059,O=C1N=C(N2CCOCC2)S/C1=C/c1ccc(-c2ccccc2Cl)o1
+,0.0,,,,,0.0,,,,,,,,,,,CID657527,Cn1c(=O)c2c(nc(NCC(O)CO)n2CCc2ccccc2)n(C)c1=O
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+,0.0,,0.0,,,,,,,,,,,,,,CID647273,c1ccc(Cn2nnc3c(NCC4CCCO4)ncnc32)cc1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID662755,COc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1
+,,,,,,,,,,0.0,,,,,,,CID783139,CCOc1nc(NC2CCCCC2)nc(NC(C)(C)C)n1
+,,,,,0.0,,,,,,,,,,,,CID2270524,CCC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCC3
+,,,,,,,,,,,,,,0.0,,,CID2237730,Cc1nc2cc(Nc3ccncc3)ccc2s1
+,,,,,,,,,,,,,,0.0,,,CID987778,COC(=O)Oc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1OC
+,,,,0.0,,,,,,0.0,,,,,,,CID1328344,COc1ccc(NC(=O)c2c(NC(=O)CNCc3ccco3)sc3c2CCC3)cc1
+,,,,,,,,,,,,,,0.0,,,CID789703,Cc1nc2ccccn2c1C(=O)NC1CCCC1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID1260102,O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)N1CCc2ccccc21
+,,,,,,,,,,,,0.0,,0.0,,,CID2097453,Cc1cc(C(=O)COC(=O)C2=COCCO2)c(C)n1-c1ccc2c(c1)OCO2
+0.0,,,0.0,,,,,,0.0,,0.0,,,,,,CID666670,Cn1c(CCNC(=O)c2ccccc2)nc2cc(NC(=O)c3ccco3)ccc21
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1046983,CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1
+0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,,CID2998970,O=C(c1ccccc1)N1CCCCC(Sc2nnnn2-c2ccccc2)C1=O
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID2837744,[O-][n+]1onc2c1CCC1N(O)C(c3ccccc3)CC21O
+,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,CID649287,Cc1nc(SCC(=O)NCCc2ccccc2)n[nH]1
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,,CID664808,Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2093042,COc1ccc(NC(=O)c2cc(Br)c(Br)s2)cn1
+,,,,,,,,,,,,,,0.0,,,CID722485,Cc1ccc(-c2nn3cnnc3c3ccccc23)cc1C
+,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,CID886632,Clc1ccc(-c2noc(COc3ccccc3)n2)cc1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,CID3237896,CN(Cc1ccccc1)C(=O)CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID868497,C/C(=N\NS(C)(=O)=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,0.0,CID2998405,CCN(C(=O)COc1ncnc2ccc(Br)cc12)C1CCS(=O)(=O)C1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID1266325,Cc1ccc(CNC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID739638,O=C(Oc1cccc2cccnc12)c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID649617,CCc1nnc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C2CCCCC2)s1
+,0.0,,,,,,,,,,,,,,,0.0,CID3243852,O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)Nc1ccccc1F
+0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,CID2997574,CC(C)(C)C(=O)C(CO)(Oc1ccc(Cl)cc1)n1cncn1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID1151703,CCCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1587868,COc1ccc(/C=C(\C#N)C(=O)Nc2cccnc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID728322,N#Cc1ccccc1NC(=O)Nc1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245017,COc1ccccc1-c1cc(C(=O)NCCCn2ccnc2)no1
+,,,,,,,,,,,,,0.0,,,,CID5333392,O=C1C=Cc2ccccc2/C1=C/NC(CO)(CO)CO
+,,,,,,,,,,,,0.0,,,,,CID3240303,Cc1ccc(CS(=O)(=O)CCC(=O)NCCN2CCCCC2C)cc1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID651109,CC12CC(c3ccccc3O1)C(C(=O)NCc1ccccc1)C(=O)N2
+,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,CID755995,O=c1c2ccccc2c2ccccc2c(=O)n1Cc1ccco1
+0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,CID652721,Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)n1
+,,,,,,,,,,,,,,0.0,,,CID16189825,COc1ccc(-c2noc(CN(C)C3CCOCC3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3122021,Cc1ccc(CC2CC(=O)N(C(Cc3ccccc3)C(=O)O)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1094082,Cc1ccnc(NC(=O)CS(=O)(=O)Cc2ccccc2)c1
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID1314906,O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(c2ccccn2)CC1
+,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2970198,C=CCn1c(N2C(=O)CC(Cc3ccccc3)C2=O)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID306328,CCOC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
+,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,CID2999319,CC1CCCCC1NC(=O)Cn1[nH]c(=O)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID3237988,O=C(Nc1nc2ccccc2n1CCN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3218129,Cc1ccc(CN2C3CCCC2CC(NC(=O)Nc2cccc(F)c2)C3)cc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1473692,O=C(Nc1cccn2ncnc12)c1ccccc1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID656094,Cc1ccc2cc(CN(Cc3ccco3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1
+,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,,CID2944700,O=C(COc1ccc2c(c1)OCO2)Nc1ccc2c(c1)oc1ccccc12
+,,,,,,,,0.0,,0.0,,,,,,,CID2052895,COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)o1
+,,0.0,,,,,,,,,,,,,,,CID5308121,CCC(C)NC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID1187950,Cc1sc(NC(=O)c2ccco2)c(CN2CCN(c3ccccn3)CC2)c1C
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1129974,Cc1cccc(OC(=O)c2ccc3nccnc3c2)c1
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID660199,Cc1ccc2c(C(=O)CN3CCSCC3)c(C)[nH]c2c1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID2841235,CCCCCOC(=O)NCC(O)c1ccccc1
+,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,CID1249186,COc1ccc2nc(SCc3cnc(C)nc3N)[nH]c2c1
+,,,,0.0,,,,,,,,,,,,,CID3244144,O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)c2ccccc2)o1
+,,,,,,,,,0.0,,,,,,,,CID2835927,Cc1cc(C)n(C2CC(=O)N(c3ccccc3)C2=O)n1
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID846922,CN(C)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1
+0.0,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID571631,CCOC(=O)C(NC(=O)c1cccnc1)(Nc1cccc(C)n1)C(F)(F)F
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID1291615,O=C(CSc1nnnn1C1CCCCC1)NCc1cccc(C(=O)O)c1
+,,,,,,,,0.0,,,,,,,,,CID1370932,C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccc(Br)s1
+,,0.0,0.0,,,,,,0.0,0.0,,,,,,,CID989373,O=C(Nc1cc(C(=O)N2CCCC2)ccc1N1CCCC1)c1ccccc1
+0.0,,0.0,,,,,,,,,,,,,,,CID661241,Cc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1
+,,,,,,,,,,,,,0.0,,,,CID2972875,CCOC(=O)C1=C(CSCc2ccccc2)NC(=O)NC1c1cc(C)ccc1C
+,,,,,,,,,,,,,,0.0,,,CID877628,O=C(O)/C=C/c1ccc(OCc2cccc(F)c2)cc1
+0.0,,0.0,,,,,,0.0,,,0.0,0.0,,,,,CID662688,COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)cc(OC)c1OC
+,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,CID2240865,CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(OC)c(Cl)c1
+0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,CID666546,CCOc1ccc(NC(=O)C2CC(=O)NC(N3CCc4ccccc43)=N2)cc1
+,,,,,,,,,,,,,0.0,,,,CID12005826,CCN(CC)S(=O)(=O)c1ccc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5125843,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccccc2)CC1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID645153,Cc1cc(C)nc(N2CCN(c3nnnn3-c3ccccc3)CC2)n1
+,,,,,,,,,0.0,,,,,,,,CID886847,Nc1nnc(SCC(=O)NC2CCCCC2)s1
+,,,,,0.0,,,,0.0,,,,,,,,CID2449899,O=C(CSCc1ccc(F)cc1)Nc1nc2c(s1)CCCC2
+,0.0,,,,,,,,,,,,0.0,,,,CID649613,CC(C)NC(=O)c1ccc2c(c1)nnn2C
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID1333937,Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)c(Br)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID661470,N#CC1=C(SCc2ccccc2)NC2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2514531,O=C(COC(=O)Cc1ccc(Cl)cc1Cl)NCCC1=CCCCC1
+0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID650983,CCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccoc1C
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID1015636,CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID589609,COc1ccccc1C(O)Cc1nc2ccccc2n1C
+,,,,,,,,,,,,,,0.0,,,CID2177194,CC(C)OC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1
+,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,,CID2346981,COc1ccc(CNC(=O)CSc2ncn[nH]2)cc1
+0.0,,,0.0,,,,,0.0,,0.0,,,,,,,CID658968,CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)nc(Cc3ccccc3)c2CO1
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+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2260658,O=C(/C=C/Nc1ccccc1Br)c1ccccn1
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+,,0.0,0.0,,,,,,,,,,,,,,CID3238797,COCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
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+,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID2117969,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
+0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID2230064,O=C(c1ccco1)N1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1
+,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID878762,CC(=O)Nc1nc2ccccc2n1CCN(C)C
+,,,,,,,,,,,,,0.0,,,,CID3629588,O=C1c2ccccc2NC(c2ccccc2)N1NS(=O)(=O)c1ccccc1
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+,,,,,,,,,,0.0,,,,,,,CID3244880,O=C1C(=CNCc2ccccn2)C(=O)c2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID1096064,COc1ccccc1NC(=O)c1ccc(CSc2ncccn2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID923710,Cc1cc(C)cc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
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+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID645484,c1cncc(-c2nnc(SCCSc3nnc(-c4cccnc4)o3)o2)c1
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+,0.0,,,,,,0.0,,0.0,,,0.0,,,,,CID659745,CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
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+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID765549,Cc1cccc(CN2CCN(c3ccccn3)CC2)c1
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3235843,Cc1cc(N2CCN(c3ccccn3)CC2)n2nc(C)nc2n1
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+,,,,,,,,,,,,,0.0,,,,CID1084800,CCCc1cc(=O)nc(SCC(=O)N2CCCc3ccccc32)[nH]1
+0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID3236792,CC(C)c1cc(C(=O)Nc2cc(Cl)ccc2O)no1
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+0.0,,,,,,,,,0.0,,,,,,,,CID654622,CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2ccc(OC)cc2[nH]c1=O
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+,0.0,,,,,,,,,0.0,,,,0.0,,,CID1245848,Cc1cc(C(=O)N2CCN(c3ccccn3)CC2)c(C)o1
+,,,,,,,,,,,,,,0.0,,,CID2510911,COc1cc(OC)cc(C(=O)NCC(=O)OCc2nc3ccccc3s2)c1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID649322,COc1ccccc1N1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1
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+,,0.0,,,,,,,0.0,,,,,,0.0,0.0,CID649394,COC(=O)c1ccc(NC(=O)C2CCCO2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2999215,O=C1NC2(CCCc3ccccc32)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
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+,,0.0,,,,,0.0,0.0,,0.0,,,,,,,CID2998522,CCC(C)N(C(=O)COC(=O)Cc1n[nH]c(=O)c2ccccc12)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID4177281,CN(C(=O)COC(=O)c1ccc[nH]c1=O)C1CCCCC1
+0.0,,,,,,,,,,,,,,,,,CID3348973,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12
+,,,,,0.0,,,,,,0.0,,,,,,CID4015909,Cc1cc(C(=O)OC2CCOC2=O)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID2466273,COc1ccc(NC(=O)c2sccc2C)cn1
+0.0,,,,,,,,,,,,,,,,,CID5308261,O=C1C2CCCN2C(c2cccc(Br)c2)N1c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID3178951,COc1ccc(C(=O)N(c2ccc3c(c2)OCCO3)C(C(=O)NC(C)(C)C)c2ccc(F)cc2)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID9551273,COc1ccc(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)cc1OC
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+,,,,,,,,,,,0.0,,,,,,CID2269359,O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc2c(c1)OCCO2
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+,0.0,,,,,,,,,,,,,,,,CID2155043,Clc1ccc(CCNc2ncnc3nc[nH]c23)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID2348921,O=C(c1c(Cl)nc2sccn12)N1CCN(c2cccc(Cl)c2)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID655508,COC(=O)CSc1nc2cc3c(cc2cc1C)OCCO3
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID661326,N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCC1
+,,,,,0.0,,,,,,,,,,0.0,,CID3238149,CC1(C)CC(=O)c2cc(OCC(=O)O)ccc2O1
+,,,,,,,,,,,,,0.0,,,,CID2099761,CCOc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
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+,,,,,,,,,,,,,,0.0,,,CID5042941,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(OC(C)C)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3165302,Cc1cc(C)nc(SCC(=O)Nc2sc3c(c2C#N)CCC(C)C3)n1
+,,,,,,,,,,,,0.0,,,,,CID650908,CCN(CC)c1nc2n(c(=S)n1)CCS2
+,,,,,,,,,,,,,0.0,,,,CID1632232,O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID1263933,O=c1c2ccccc2nc(-c2ccoc2)n1-c1ccccc1Cl
+,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,,CID2976315,COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1
+,,,0.0,,,,,,,,,,,,,,CID5308897,CC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1
+,,,,,,,,0.0,,,,,,,,,CID2971630,CCOC(=O)C1=C(CN2CCCCC2)NC(=O)NC1c1cc(C)ccc1C
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID649588,Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCC(=O)Nc2ccccn2)c1
+,0.0,,,0.0,,,,,,,,,,,,,CID2123860,CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
+,,,0.0,,,,,,,,,,,,,,CID650021,CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCC1C
+,,,,,,,,,0.0,,,0.0,,,,,CID1222832,CCOc1cc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc(OCC)c1OCC
+,,,,0.0,,,,,,,,,,,,0.0,CID2991881,COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3)CC2)n1
+,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,CID648692,Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)C2CCCC2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID219352,O=C(O)CCC(NC(=O)OCc1ccccc1)C(=O)O
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID3235904,O=C(Cn1cccc1)Nc1ccc(OC(F)(F)F)cc1
+,,,,,,,,,,,,,,0.0,,,CID5726185,CCOC1=C/C(=C/NNC(=O)Cn2nnc3ccccc32)C=CC1=O
+0.0,,,,,,,,,,,,0.0,,,,,CID2571603,COC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1
+,,,,0.0,,,,,,,,,,,,,CID3240177,CCc1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)CS2
+,,,,,,,,,,,,,0.0,,,,CID2642214,O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)Nc1ccccc1
+0.0,0.0,,,,,0.0,,,,,,,,,,0.0,CID608335,Cc1nn(Cc2ccccc2Cl)c(C)c1N
+,,,,,,,,,0.0,,0.0,,,,0.0,,CID1263609,CC(C)n1ncc(C(N)=O)c1N
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID1301698,O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1Cc1cccnc1
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID647691,C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID4100897,CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)nc1-c1ccccc1
+0.0,,,,,,,,0.0,,,,,,,,,CID598179,Nc1nnnn1CC(=O)OCc1cccc(Br)c1
+,,,,,,,0.0,,,,,,,0.0,,,CID660301,CCN(CC)CCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1
+,,0.0,,,,,,,,,,,,,,,CID3243628,CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2cccs2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID851334,Cn1cnnc1SCCC(=O)Nc1ccc(Cl)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3227517,CCC(C)C(=O)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1
+,,,,,,,,,,0.0,,,,,,,CID4615084,CCSc1nc2c(c(=O)[nH]1)C(C(C)C)C(C#N)=C(N)O2
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID73239,CCOC(=O)c1sc(N)nc1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID6618851,N#Cc1c(-c2ccc(F)cc2)noc1N
+0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID666686,C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cccc(OC)c1
+,,,,,,,,,,0.0,1.0,0.0,,,,,CID3241109,O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1cc2ccccc2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID892972,COc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1
+,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,CID1289497,CCOC(=O)c1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID649117,CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCCC2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID5433630,CSc1nc(=O)c(-c2ccccc2N/C=C2\C(=O)N(c3ccc4ccccc4c3)N=C2C)n[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2768557,COC(=O)Cc1c(C(=O)OC)nnn1-c1ccc(OC)cc1
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,,CID652952,COc1cc(OC)cc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccc(N(C)C)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID749624,Cc1nn(CC(=O)NCCc2ccccc2)c(C)c1[N+](=O)[O-]
+,,,,,,,,,,,,0.0,,,,,CID3235836,Cc1ccc2c(c1)N(C(=O)CCC(=O)N1CCc3ccccc3C1)CCO2
+,,0.0,,,,,,,,,,,,,,,CID656030,Fc1ccc(Cn2nnnc2CN2CCN(C3CCCCC3)CC2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID856021,COc1cccc(-n2cnnn2)c1
+,,,,,,,,,,0.0,,,,,,,CID520427,c1ccc(OCCOCCN2CCOCC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID664848,CCSc1nc(C)nc2c1oc1ccccc12
+,,,,,,,,,,,,0.0,,,,,CID2224231,O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc(C(=O)N2CCOCC2)cc1
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID953656,Cc1ccc(-c2nn3c(C)nnc3s2)cc1N
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID756070,COc1ccc(CC(=O)Nc2cccc(C(=O)O)c2C)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID663860,CC1(C)CC(=O)c2cnc(N3CCc4ccccc4C3)nc2C1
+,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,CID646101,CCOC(=O)c1ccc(S(=O)(=O)n2c(CN3CCCCC3)nc3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID997311,O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2ccc(Br)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID5308916,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1
+,,0.0,,,0.0,0.0,,,,,,,,,0.0,,CID646030,CCOC(=O)Cn1nc(C)c(-c2ccccc2)c1N
+0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,CID662795,COc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1
+,0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,CID653777,c1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID897192,Cc1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)o1
+,,,,0.0,,,,,,,,,,,,,CID659195,CSC1=C(C#N)C(C)CC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID5348508,COc1ccc(C/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1
+,,,,,,,,0.0,,,,,,,,,CID664909,O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1CCCN1CCOCC1
+0.0,0.0,,,,,,,,,,,,,,,,CID659465,COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)c2ccc(C)cc2)=C(C#N)C1c1ccco1
+,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID647976,Cc1ccc(C(=O)CSc2nc3cccnc3n2C)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID2238195,CCCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1
+,,,,,,0.0,,,,,,,,,,,CID5308081,CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1
+,,,,,,0.0,,,,0.0,,0.0,,,,0.0,CID2997590,CCOc1ccccc1C(=O)NCC(=O)OCC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,0.0,,0.0,,,CID893838,O=C(COc1ccc(CO)cc1)Nc1ccc(F)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2927255,Cc1ccc(N2CC(C(N)=O)CC2=O)cc1C
+,,,,,,,,,,,,,0.0,,,,CID1526383,O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCOCC1
+0.0,0.0,,,,,,,,0.0,,,,,,0.0,,CID5308330,CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1
+,,,,,0.0,,,0.0,,,,0.0,0.0,,,,CID148769,CC(=O)Oc1cc2oc(=O)cc(C)c2cc1OC(C)=O
+,,,,,,,,,,,,,0.0,,,,CID1121744,O=C(Nc1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID4372318,Cc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1S(=O)(=O)N1CCOCC1
+,0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,CID1266531,CC(=O)c1ccc(NC(=O)CSc2nc3nc(C)cc(C)n3n2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID843260,NNC(=O)c1cc(Br)cs1
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+,0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,CID757063,O=C(Nc1ccc(Cl)cc1)N1CCSCC1
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,CID821814,O=C(c1nc2ncccn2n1)N1CCc2ccccc2C1
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+0.0,,0.0,,,,,,,,0.0,0.0,,,,,,CID658236,O=C(CN1CCN(Cc2ccccc2)CC1)c1c[nH]c2ccccc12
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID661716,O=C1CC(NCc2ccc3c(c2)OCO3)C(=O)N1Cc1ccc2c(c1)OCO2
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+,,,,0.0,,,,,,,,,,,,0.0,CID3239558,O=C(c1cc2ccccn2n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID646842,Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C)ccc43)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1242069,COc1cc(NC(=S)NC(=O)c2ccco2)ccc1NC(=O)C(C)C
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+,,,,,,,,,,0.0,0.0,,,0.0,,,CID1450145,COc1cccc(Cn2cccc(NC(=O)Nc3ccc(C#N)cc3)c2=O)c1
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+,,,,,,,,,,,,,,0.0,,,CID2214080,COc1ccc(N2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
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+,,,,0.0,,,,,0.0,,,,,,0.0,,CID2981854,COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)c(OC)c3)CC2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID787725,Cc1ccccc1CSCC(=O)N/N=C/c1cccs1
+0.0,,,0.0,0.0,,,,,,,,0.0,,,,,CID2101672,O=C(CN1CCCc2ccccc21)NC(=O)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID16187337,CCOC(=O)C1(Cc2ccccc2C)CCCN(Cc2ccc(NC(C)=O)cc2)C1
+,,,,,0.0,,,,,,,,,,,,CID3227432,Cc1csc(NC(=O)CSc2nnc3c4ccccc4nc(C(C)(C)C)n23)n1
+,,,,,,,,,,,,,0.0,,,,CID1310395,COc1ccccc1NC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2391688,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID649272,CN(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(C(=O)O)cc4)CC3)n2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID2150997,Cc1ccc(C)c2c1s/c(=N\C(=O)CN1C(=O)CCC1=O)n2C
+,,,,,,,,0.0,,0.0,,,,,,,CID3212911,Cc1sc2nc(C3CC3)nc(NCCNS(=O)(=O)c3ccccc3)c2c1C
+,,,,,,,,,,0.0,,,,,,,CID2080794,Cc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1133007,COc1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc(C)cc3)o2)cc1
+0.0,,,0.0,,,,,,,,0.0,,,,0.0,,CID620656,CCOC(=O)Nc1cccc(Nc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2815225,COc1ccc(N2C(=O)CSCC2=O)cc1OC
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,CID755504,COCn1c(-c2ccc(OC)c(OC)c2)nc2ccccc21
+,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,CID660619,S=c1[nH]nc(-c2ccco2)n1Cc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID5310029,NC(=O)c1nc(C2CCCCC2)nc2c1[nH]c(=O)n2-c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID888322,O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OCCO2
+,,,,0.0,,,,,0.0,,,,0.0,,,,CID2356954,Cc1ccc(C)c(NC2=NC(=O)CS2)c1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID647219,O=C(NCCCNC(=O)c1ccccn1)c1ccccn1
+0.0,,0.0,,,,,,,,,,,,,,,CID661223,O=c1c2c3nc4ccccc4nc3n(CC3CCCO3)c2ncn1CCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2842227,ON1C2CCCCC2N(O)C1c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2889329,O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1
+0.0,,,,,,0.0,0.0,,,0.0,,,,,,0.0,CID661867,Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1
+,,,,,,,0.0,0.0,0.0,,,,,,0.0,0.0,CID1179334,C=CCn1c(COc2cccc3ccc(C)nc23)nnc1SCC(=O)O
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID341255,CCCCC(=O)c1c(O)oc2ccccc2c1=O
+,,,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,CID646610,CC(C(=O)NCc1ccccc1)N1C(=O)CN(C)C(=O)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID647121,CCCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID5307158,CCOC(=O)c1[nH]c(C)c(C(=O)N(CC)CC)c1C
+,,,,,,,,,,,,,,0.0,,,CID2767591,CN(C)c1ccnc(-n2cccc2/C=N/OCc2ccc(F)cc2Cl)c1C#N
+0.0,,,,,,,,,,,,,,,0.0,,CID3243971,Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nnc(N5CCCC5=O)s4)CC3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID4068947,C/C(CC(=O)NC1CCCC1)=N\NC(=O)Cc1csc(N)n1
+0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID662874,COc1cc(OC)c(-c2nn3c(-c4ccncc4)nnc3s2)cc1OC
+,,,,0.0,,,,,,,,,,,,,CID1256130,O=C(c1cccs1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2385998,O=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1
+,,,,,,,,,,,,,,,0.0,,CID831070,O=C(CCc1ccccc1)Nc1cc(Cl)ccc1O
+,,,,0.0,,,0.0,,,,,,,,,,CID654648,C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID2886887,COc1ccc(C2CC(c3ccc([N+](=O)[O-])cc3)=NN2C(=O)c2ccccc2)cc1OC
+,,,,,,0.0,,,,,,,,,,,CID655822,Cc1ccc(F)cc1NC(=O)C1CCN(c2cnccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID810809,Cc1cccc(C(=O)Nc2nnc(COc3ccccc3)s2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID1484445,Cc1cc(-c2ccc(Cl)cc2)oc(=O)c1NC(=O)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID837844,Cc1cc(C)cc(NC(=O)C2CCCC2)c1
+,,,,,,,,,,0.0,,,,,,0.0,CID2998660,Cc1ccc(/C=c2\s/c(=C(/C#N)C(=O)N3CCCC3)n(Cc3ccco3)c2=O)s1
+,,,,0.0,,,0.0,,,,,,,,,,CID333140,CC1(C)CC(=O)C=C(NCCO)C1
+,,,,,,,,,,0.0,,,,,,,CID1987500,CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N/N=C/c1ccc2nccnc2c1
+,0.0,,,,,,,,,0.0,,,,,,,CID3241728,CCSc1nc2c(c(=O)n1CC)SC(C)C2
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID698707,Cc1ccc2nc(-c3ccccc3)cc(C(=O)O)c2c1
+,,,,,,,,0.0,,,,,,,,,CID2827025,Cc1nn(C(CC(=O)O)C(=O)O)c(C)c1Br
+,,,,,,,,0.0,,,,,,,,,CID662441,O=C(NCC(F)(F)F)Nc1nnc(C(F)(F)F)s1
+,,,,,,,,,,,,,0.0,,,,CID1478494,O=C(Nc1ccc(F)cc1F)c1cccn(Cc2ccccc2)c1=O
+,,,,,,,0.0,,,,,,,,0.0,,CID2980923,COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(C)C
+,0.0,,,,,,,0.0,,,,,,,,,CID5389567,COc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21
+,,,,,,,,,,,,,,,,0.0,CID3238952,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID4223083,Cc1nc(SC(C(=O)c2ccccc2)c2ccccc2)n[nH]1
+,0.0,,,,,,,,,,,,,,,,CID913284,Cn1c(=O)c2c(nc3sccn32)n(C)c1=O
+,,,,,,,,,,0.0,,,,0.0,,,CID916217,O=c1c2c(-c3cccs3)csc2ncn1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID4677303,COc1ccc(C2C(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3C(=O)N2C)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID4572066,Cc1cccc(NC(=O)c2cnc3ccccn3c2=O)c1
+0.0,,,,,,,,,,,,,,,,,CID5310844,C=CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3530633,CC1CCC(C(C)C)C(OC(=O)CSc2nnc(N)s2)C1
+,,,,,,,,,,,,,,0.0,,,CID2413911,O=C(CSc1cccc[n+]1[O-])NCC1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID847609,Cc1cc(C(=O)N/N=C/c2cccnc2)c(C)o1
+,,,,,,0.0,,,,,,,,,,,CID723666,Nc1nnc(SCc2ccc(F)cc2)s1
+0.0,,,,,,,,,,,,,0.0,,,,CID5309646,COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2cccc(OC)c2)c1=O
+,,,,,,,,0.0,,,,,,,,,CID664016,CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC
+,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0,CID1303232,N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID874931,Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCCC2)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2218798,CCCOc1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5216009,O=C(N/N=C1\CCCc2ccccc21)c1ccccc1Cl
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1074716,O=C(COc1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2984678,COCCN1C(=O)N(c2cccc(C)c2)C(=O)C1CC(=O)Nc1ccc(F)cc1
+,,,,,,0.0,,,,,,,,,,,CID2932109,O=C(CCSCCC(=O)NCCN1CCOCC1)NCCN1CCOCC1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID953983,Cc1nn(-c2cc(N3CCCCC3)ccc2N)c(=O)c2ccccc12
+,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID652201,COc1ccc(OCCCC(=O)Nc2nncs2)cc1
+,,0.0,,,,0.0,0.0,,0.0,,,,,,,,CID2998283,COC(=O)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID3230485,CC(=O)OC(C(=O)NCc1ccc(F)cc1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID1839665,COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1
+,,,,,,,,,,,,0.0,,,,,CID1293110,CCOC(=O)c1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C)nc1C
+,,,,,,,,0.0,,,,,,,,,CID82533,Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1
+,,,,,,,,,,,,0.0,,,,,CID5697333,COc1ccc(C)cc1-n1nnnc1SCC(=O)C(C#N)=C1Nc2ccccc2N1
+,,,,,,,,,,,0.0,,,,,,CID2959216,CC(C)NC(=O)CC(c1ccccc1)c1cc(Br)ccc1O
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID665545,CN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccn1
+,,,,,,,,,0.0,,,,,,,,CID3420080,Cc1ccc(NS(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1C
+,,,,,0.0,,,,,,,,,,,,CID591241,CC1CN(C(=O)c2ccc([N+](=O)[O-])cc2)CC(C)O1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID711153,Cc1ccc(-c2csc3nc(C)n(-n4cccc4)c(=O)c23)o1
+,,,,,0.0,,,,,,,,,,,,CID5346000,Cc1nc2ccccc2c(=O)n1N/C=C1\C(=O)C=Cc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2998658,Cc1ccc(C)c(OCC(O)CN2CCC(C)CC2)c1C
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID3240786,COc1ccc(S(=O)(=O)CCC(=O)NC2CCCCC2)cc1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID3237014,COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)o2)cc1OC
+0.0,,,,,,,,,,0.0,,,,,,,CID3241206,CCOc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1
+,0.0,,,,,,,,,,0.0,,0.0,,,,CID650848,Cc1cc(=O)n2c(-c3ccccc3C)n[nH]c2n1
+,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,CID652260,N#CCCCSc1nnc(-c2ccccn2)o1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID2408775,Clc1ccccc1COc1ccccc1-c1nnco1
+,,,,,0.0,,,,0.0,,,,,,,,CID2195498,Cc1ccc(CC(=O)NCCCc2ccccc2)cc1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID1092002,Cn1c(=O)c2c(nc(Sc3ncccn3)n2Cc2ccc(Cl)cc2)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1489441,Cc1ccc(Cn2c(NS(=O)(=O)c3ccccc3)nc3ccccc32)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1254286,Cc1cc(OCC(=O)Nc2ccncc2)c(C)cc1Br
+,,0.0,,,,,,,,,,,,,0.0,,CID5770824,CC1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1
+,,,,,,,,0.0,,,,,0.0,,,,CID1861856,COc1cc2[nH]c(=S)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
+,,,,,,,0.0,,,,,,,,,0.0,CID645755,O=C(CCCC(=O)N(CC(=O)NC1CCCCC1)CC1CCCO1)Nc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID743052,Cc1cc(Nc2cccc(O)c2)n2ncnc2n1
+,0.0,0.0,,,,,0.0,,0.0,,,,,,,,CID853239,CCOC(=O)c1cnn(-c2nc(C)nc3sc4c(c23)CCC4)c1N
+,,,,0.0,0.0,,0.0,,0.0,,,,,,,,CID649078,CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID5771238,Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)n2ncnc2n1
+,,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID782865,COc1ccc(CN2CCN(C)CC2)cc1OCc1ccccc1
+,,,,,,,0.0,,,,,0.0,,0.0,0.0,,CID658147,CC1(C)Cc2ccccc2C(=O)N1
+,0.0,0.0,,,,,,,,,,,,,,,CID937213,Clc1ccccc1-c1nn2c(-c3ccncc3)nnc2s1
+,,,,,,,,,,0.0,,,,,,,CID741237,O=C1CNC(=O)/C1=C\N1CCCCC1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID627093,CCC(=O)Nc1nonc1-c1nc2ccccc2n1N(C(=O)CC)C(=O)CC
+0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID701261,CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID2275267,Cc1cc(Cl)cc(Cl)c1OCC(=O)NCc1ccco1
+,,,,,,,0.0,,,,,,,,,,CID2865195,Cc1ccc(N2C(=O)c3ccccc3C2(O)c2ncc[nH]2)cc1
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID661199,CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccccn3)cc2C1=O
+,,,,0.0,,,,,,,,,,0.0,,0.0,CID3242580,CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID1267694,Cc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(C)c1N1CCCC1=O
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID659580,O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1
+,,,,,,0.0,,,,,,,,,,,CID818567,CCOC(=O)c1c(N)ssc1=S
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID2158847,O=C(CSCC(=O)N1CCCCC1)Nc1nc(-c2cccs2)cs1
+,,,,,,,,,,,,,,0.0,,,CID842990,Cc1cnn(CCC(=O)NNC(=S)Nc2ccccc2)c1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID588033,COC(=O)C(C)NC(=O)C(C)NC(=O)OCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID757324,COc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID934896,O=c1cc(-c2ccccc2)[nH]c(N2CCN(Cc3ccccc3)CC2)n1
+,,,,,,,0.0,,,,,,,,0.0,,CID2999797,O=C(NCC1COc2ccccc2O1)Nc1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID708666,Cc1ccc2nsnc2c1NC(=O)c1ccccc1[N+](=O)[O-]
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID3245195,O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCCCCC1
+,,,,,,,,,0.0,,0.0,,0.0,,0.0,,CID2984783,CC(C(=O)O)N1C(=O)c2cccc3cccc1c23
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID2945939,CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(NC(C)=O)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID2480755,CCOc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID813021,O=C(/C=C/c1ccccc1)Nn1cnnc1
+,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,CID890085,COc1ccc(-c2cccc(C(=O)NCC(=O)O)c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1340551,O=C(CSc1nc(=O)cc(O)n1-c1ccccc1)NC1CCCCC1
+0.0,,,,,,,,,0.0,,0.0,,,,,0.0,CID666550,Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O
+,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID2999703,Cc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID648939,Cc1cc(C)c2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1
+0.0,,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID2378098,Cc1nc(C)c(NC(=O)N2CCc3ccccc32)cc1NC(=O)N1CCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID784869,COc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1217157,Cc1ccc(OC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c(-n2nc3ccccc3n2)c1
+,,,,,,,,,,,,,0.0,,,,CID1239093,Cc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1
+0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,CID647500,CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1
+,,,,,,0.0,,,,,0.0,,,,,,CID2169358,C=CCNC(=O)CCCC(=O)NCC=C
+0.0,,,,,,,,,,,,,,,,0.0,CID661022,Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1
+,0.0,0.0,,,,,,0.0,,,,0.0,,,,,CID645634,CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)cn1
+,,,,,,,,,,,0.0,,,0.0,,,CID828727,CCCn1c(NCc2ccccn2)nc2ccccc21
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID2121322,O=C(CSc1n[nH]c(-c2cccs2)n1)NCc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID757278,CCOc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O
+,,,,,,,,,0.0,,,,,,,,CID2839323,O=C(O)C1CCCCC1C(=O)Nc1cc(Cl)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1481604,CSc1nc2ccccc2cc1/C=C(\C#N)c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID884216,CC(=O)Nc1cccc(NC(=O)CCc2ccccc2)c1
+,,,,,,,0.0,,0.0,,,,,,,,CID2976075,Cc1cc(C)cc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3240318,O=C(NCCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID669751,Cc1cc2ncn(C(=O)N3CCOCC3)c2cc1C
+,,,,,,0.0,0.0,,,,,,,,,,CID3242093,CCCN1Cc2cccc(C(=O)Nc3cc(OC)cc(OC)c3)c2C1=O
+,,,,,,,,,,0.0,,,,,,,CID3180549,Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3ccc(F)c(Cl)c3)n2)o1
+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID2998538,CCOc1ncccc1C(=O)OCc1cn2cc(Cl)ccc2n1
+,,,,,0.0,,,,,,,,,,,,CID1485902,CNc1ncc(C(=O)c2ccccc2)s1
+0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,0.0,CID649917,Cc1ccc2c(c1)nnn2C1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
+,,,,,0.0,,,,,,,,,,,,CID1091800,Cc1cccc(NC(=O)CSc2ncnc3nc[nH]c23)c1C
+,,,,,0.0,,,,,,,,,,,,CID5310198,O=C(c1ccc(Cl)s1)N1CCN(c2nc3ccccc3s2)CC1
+,,,,,0.0,,,,,,,0.0,,,,,CID3243562,COc1ccc(CCN2C(=O)c3cccnc3C2=O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1470976,CN(C)S(=O)(=O)c1ccc(-n2cccc2)cc1
+,,,,,0.0,,,,,,,,,,,0.0,CID652191,O=C(c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)N1CCOCC1
+,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,CID2999676,CCn1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID805820,CC(C)COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID660183,CC(=O)C1=C(NC(=O)c2ccccc2F)CC2C1C2(C)C
+,0.0,,,,,,0.0,,,,,,,,,,CID660884,C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OC(C)C
+,,,,,,,,,,,,,0.0,,,,CID88309,Cc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)O
+,,,,0.0,,,,,,,0.0,,,,,,CID1900779,CC(C)N(C(=O)CN(C#N)c1nc(N(C)C)nc(N(C)C)n1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2535143,Clc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID2998997,CC(C)CCn1nc(C(=O)OC(C)C(=O)NC(N)=O)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID743981,Cc1cc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID2356467,COc1ccc(CCNC(=O)COC(=O)c2cnc(C)cn2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID2271808,COc1ccccc1/C=C1\SC(=S)N(CCC(=O)NC2=NCCS2)C1=O
+0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,,,CID658157,C=CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCN(C)C3
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+,,,,,,,,,,,,,0.0,0.0,,,CID695645,COc1cc2nc(CCc3ccccc3)oc(=O)c2cc1OC
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+0.0,,,,,,,,,,,,,,,,0.0,CID2999509,CC1CCCCC1NC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O
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+,0.0,,,0.0,,,,,,,,,,,0.0,,CID4070655,Cc1nnc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)s1
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+0.0,,,,,,,,0.0,,,,,,,0.0,,CID657858,O=C(Oc1ccccc1C(=O)N1CCOCC1)c1cccc(Br)c1
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+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID750320,CC1(C)CC(=O)C(=CNC2CCCCC2)C(=O)C1
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+,,,,,,,,,,,,,0.0,,,,CID4124487,Cc1nn(C)cc1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID647541,O=C(Cn1nnc(-c2ccc(CN3CCOCC3)cc2)n1)Nc1nc(-c2ccccc2)cs1
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+,,,,,,,,0.0,0.0,,0.0,,,,0.0,,CID664030,CCOC(=O)c1c(N)n(CCOC(=O)c2cccs2)c2nc3ccccc3nc12
+,,,,,0.0,,,,,,,,,,,,CID5346255,O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2oc(-c3ccccc3F)nc2c1
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+,,,,,0.0,,,,,,,,,,,,CID2006037,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5C)c4s3)CC2)cc1
+,,,,,0.0,,,,,,,,,,0.0,,CID3240715,CNc1oc(C)nc1S(=O)(=O)c1ccc(C)cc1
+,,0.0,,,,,,,,,,,,,,,CID671065,O=S(=O)(NCc1cccnc1)c1cccs1
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+,,,0.0,,,,,,,,,,,,,,CID662821,CCN(CC)C(=O)CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1
+,,,,0.0,,,,,,,,,,,,,CID4998561,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(C(C)C)cc1)N(CCCN1CCOCC1)C3=O
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+,,,,,,0.0,0.0,0.0,,,,0.0,,,,,CID586799,CCCOc1cccc(C(=O)O)c1
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+,,,,,,,,,0.0,,,,,,,,CID1081269,CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2)CC1
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID726012,O=C(O)c1ccc(CSc2nnc(-c3ccco3)o2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID3357995,CC1(C)Oc2cc(N)c([N+](=O)[O-])cc2O1
+,,,,,,,,,,,,,0.0,,,,CID678849,CC(=O)c1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID723211,O=C(CSc1ncccn1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2219050,CCCCn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
+,,,,,,,,,,,,0.0,,,,,CID3241611,O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ncccn2)CC1
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+,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID659918,CCCOc1cccc(-c2nnc(N)s2)c1
+,,,,,,,,,,,,,,,0.0,,CID5309801,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)N2CCc3ccccc32)C1
+,,0.0,,,,,,,,,,,,,0.0,,CID2998986,N#Cc1ccc(OCCN2C(=O)NC3(CCSC3)C2=O)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3220431,CCC(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
+0.0,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,CID654226,COC(=O)CSc1nnc(-c2ccco2)n1-c1ccc(C)cc1
+,,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,CID961769,COC(=O)c1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID2563801,O=C(NC1CCCC1)c1n[nH]c2ccccc12
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+,,,,,,,,,,,,,,0.0,,,CID845544,N#Cc1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2335271,O=C(COC(=O)c1ccco1)Nc1ccc(Br)cc1
+0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,CID2094668,Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(C#N)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID6469886,COC(=O)c1ccc(NC(=O)Nc2ccc(OC)c(OC)c2)cc1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID4244757,Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1
+0.0,,,,,,,,,,,,,,,,,CID5290691,CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID661816,N#CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2
+,,,0.0,,,,,,,,,,,,,,CID3241957,CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C
+,,,,,,,,,,,,,,0.0,,,CID1070600,COc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc(OC)c1OC
+,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,CID5309343,CC1CCCCN1CCNC(=O)c1cnn2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID9548422,CC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID6175229,CC(NNC(=S)NC1CCCCC1)=C1C=CC(=O)C=C1
+0.0,,,,,,,,,,,,,,,,,CID741378,COC(=O)Sc1nnc(-c2ccc(Br)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID1893647,O=C1N=C(NS(=O)(=O)c2ccccc2)S/C1=C/c1cccnc1
+0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,CID649795,CCCc1nnc(NC(=O)Cn2c(=O)sc3ccccc32)s1
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID651273,CCc1cc2c(NCC3CCCO3)ncnc2s1
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID2960611,O=C(CC1COc2ccccc2O1)NCc1ccccc1
+,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,,CID652932,CC(C)NC(=O)c1ccc2c(c1)N(CC(=O)N1CCOCC1)C(=O)C(C)(C)O2
+,,,,,,,,,0.0,0.0,,,,,,,CID3925572,CC(Sc1c[nH]c2ccccc12)C(=O)O
+0.0,,,,,,,,0.0,,,,,,,,,CID658829,CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C(F)(F)F)c1
+,,0.0,,,0.0,0.0,,,,0.0,,,,,,0.0,CID664936,O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccco1
+0.0,,,,,,,,,,,,,,,,,CID3239012,Cc1ccc(Cn2c(C)c3cnn(CC(=O)N4CCC5(CC4)OCCO5)c(=O)c3c2C)cc1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID638164,CC(/C=C/c1ccccc1)=N\O
+0.0,,0.0,,,,,,,0.0,,,0.0,,0.0,,0.0,CID3238154,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCCC2)CC1
+,,,,,,,,,,,0.0,,0.0,,,,CID11958523,O=C(NCc1ccccc1C(F)(F)F)C1CC(c2ccccc2[N+](=O)[O-])=NO1
+,,,,,,,,,,0.0,,,,,,,CID796517,COc1ccc(Cc2ccc(OC)c(N)c2)cc1N
+,,,,,0.0,,,,,,,,,,,,CID5349560,COC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2C1c1ccc(C(C)C)cc1
+0.0,,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,CID2374960,CCOC(=O)c1cc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)o2)c(C)nc1C
+,,,,,,,,,0.0,,,,,,,,CID9551218,CCCNC(=O)CCc1c(C)nc2nc(-c3cc(OC)cc(OC)c3)nn2c1C
+,,,,,,,,,,,0.0,,,,,,CID2956841,CC(Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2276231,O=C(C[n+]1ccccc1CCSc1ccc([N+](=O)[O-])cc1)c1ccccc1
+0.0,,,,,,,,0.0,,0.0,,,0.0,,,,CID653995,COc1cccc(C(=O)CSc2nnc(-c3cccs3)o2)c1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,,,CID1205147,CCOc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OCC
+,,,,,,,,,0.0,,,,,,,,CID1340822,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N1CCOCC1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID666420,CCCc1cc(=O)n2[nH]c(NCc3ccc(Cl)cc3Cl)nc2n1
+,,,,,,,,,,,0.0,,,,,,CID1433573,COC(=O)c1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccc(C)c(C)c2)c1=O
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+,0.0,,0.0,,,,,,,,,,,0.0,,,CID652455,Cc1ccc(S(=O)(=O)N(C)c2nonc2C)cc1
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+,0.0,,,0.0,,,,,,,,,,,,,CID3241562,COc1cc2nc(=S)n3[nH]c(CCn4c(C)nc5ccccc54)nc3c2cc1OC
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+,,,,,,,,,,,0.0,,,,,,CID2981167,O=C(CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCc1ccncc1)Nc1ccc(F)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3235630,CCOC(=O)CSc1nc2c(sc(=S)n2CCc2ccccc2)c(=O)n1Cc1ccco1
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID5307723,COc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1OC
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+0.0,,,,,,0.0,,,,,,,,,0.0,,CID2572725,Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)no1
+,,,,,,,,,,0.0,0.0,0.0,,,,,CID1251870,Cn1c(CN2CCOCC2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21
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+,,,,,,,,,,,,,,,0.0,,CID654374,O=C(NCCc1ccccn1)C1CCCN(S(=O)(=O)Cc2ccccc2)C1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID795113,COC(=O)c1cccc(OC(N)=O)c1
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+,,,,,,,,,,0.0,,,,0.0,,,CID2507224,CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O
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+,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,CID2093858,COc1ccc(CNC(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID885318,CC1=CC(=NOC(=O)/C=C/c2ccccc2)C=C(C)C1=O
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID660269,COc1ccc(CCNC(=O)CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)cc1OC
+,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,,CID648805,CCc1nnc(NC(=O)C2CCCN2C(=O)Nc2ccccc2OC)s1
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+0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,,CID3242966,CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)C1
+,,,,,,,,,,,,,,0.0,,,CID2150591,Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3cc4c(cc23)OCCO4)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID752976,CCSc1nnc(NC(=O)c2cnccn2)s1
+,,,,,,,,,,,,,,0.0,,,CID2468296,N#Cc1ccccc1OCC(=O)NCC1(N2CCCCC2)CCCCC1
+,,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0,CID3243603,CC(=O)c1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(C)cc3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3214200,CCOC(=O)c1ccc(NC(=O)CSc2nc3cccnc3n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID1175528,COc1cccc(-n2nnnc2SCC(=O)NCCc2ccc(OC)c(OC)c2)c1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID1812537,Cc1ccc(C)n1-c1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4422681,C=CCNC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
+,,,,,,,,,,,,,0.0,,,,CID654807,COC(=O)c1c(C(=O)OC)c2ccncn2c1Cl
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID891616,COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID660913,CCCCCC(=O)N(CN1C(=O)CCC1=O)c1ccccc1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID659436,CN1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3515999,O=C1CN2C(=Nc3ccc(Br)cc3C2c2ccccc2)CCN1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2199683,c1ccc(-c2ccc(OCCOCCn3cncn3)cc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID869419,CSc1nnc(-c2ccccc2)n1N
+,,0.0,,,,,,0.0,,,0.0,,,,0.0,,CID894019,CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1
+,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,CID646997,O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1cccs1)c1ccco1
+,,0.0,,,,,,0.0,,,,,,,,,CID2421423,COC(=O)c1cc2c(cc1Cl)SC(NCCCN1CCOCC1)=NS2(=O)=O
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,CID2530255,Cc1nnc(SCC(=O)Nc2sccc2C(N)=O)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2873240,CC1CCCN(c2c([N+](=O)[O-])c(=O)oc3ccccc23)C1
+,0.0,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,CID645257,Cn1c(SCC(=O)N2CCCCC2)nc2cccnc21
+,,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,CID661228,Cc1nn(CC(=O)NC(C)c2ccccc2)c(=O)c2ccccc12
+0.0,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID665571,Cc1cccc(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c1C
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2088026,COCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C
+0.0,,,,0.0,,,,,0.0,0.0,,,,,,,CID3774346,N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(O)c1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID5307393,O=C1c2ccccc2C(O)N1c1cccnc1
+,,,,,0.0,0.0,0.0,,0.0,,,,,,,,CID752764,CCCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O
+,,,,,,,0.0,,,,,,,,,,CID6850813,CNCCC(Oc1ccccc1C)c1ccccc1
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2354135,COc1ccc(NS(=O)(=O)c2cc(OC)ccc2NC(=O)c2cc(C)oc2C)cc1
+,,,0.0,,,,,0.0,,,0.0,,,,,,CID655510,CNC(=O)Cn1nc(C)c2ccccc2c1=O
+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID582245,Cn1cnnc1SCC(=O)NCc1cccc(C(F)(F)F)c1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID764947,COc1ccc(CN2CCCCCC2)c(C)c1C
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID719923,CC(C)OC(=O)CSc1nc2ccccc2s1
+,,,,,,,,,,,,,,0.0,,,CID1272678,Cc1ccc(-c2nn(CC(=O)NCc3ccccn3)c(=O)c3ccccc23)cc1S(=O)(=O)N(C)C
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID666886,Cc1nn2c(N3CCN(c4ccccn4)CC3)cc(C(C)C)nc2c1-c1ccccc1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2870287,O=C1CN(C(=O)CN2CCOCC2)C(c2ccccc2)c2cc(Br)ccc2N1
+,,,,,0.0,,,,,,0.0,,,,,,CID3212504,CCCc1nnc(SCC(=O)N2CCCCC2C)n1CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2274273,COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1ccco1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID2930429,CC(C)(C)c1ccc(S(=O)(=O)NC(Cc2ccccc2)C(=O)O)cc1
+0.0,,,,,0.0,,,,0.0,0.0,,,,,,0.0,CID660794,CCN(CC)c1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
+,,,,,,,,,,,,,,0.0,,,CID2426475,COc1ccccc1C(=O)CSc1ccccn1
+,,,,,,,,,,,,0.0,,,0.0,,CID650829,CC(C)(C)NC(=O)CSc1ncnc2c1nnn2Cc1ccccc1Cl
+,,0.0,,,,,,,,,,,,,,,CID2947688,COC(=O)CCN(C(=O)c1ccc2c(c1)OCO2)c1ccccn1
+,,,,,,0.0,,,,,,0.0,,,,,CID801159,COc1ccc(C(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID291819,Cc1ccc(-n2nnc3ccccc3c2=O)cc1C
+,,,,,,,,,,,,,0.0,,,,CID589469,Cc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1
+0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID2999817,c1ccc2c(c1)OCC(CNC1=NCCCCC1)O2
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID3239622,O=C(O)c1ccc(S(=O)(=O)Cc2ccccc2)cc1
+,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,CID652739,CCc1ccc(CCC(=O)Nc2nccs2)o1
+,,,,,,,,,0.0,,,,,,,,CID3429885,CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1C
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID977705,O=C(COc1ccccc1Cl)N1CCN(c2ccccc2F)CC1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID3241303,Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(-c4ccccc4Cl)noc3C)cc2N)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2536790,CCN(C(C)=O)c1nc(CSc2nnc(NC(C)C)s2)cs1
+,,,,,,,,,,,,,0.0,,,,CID2946449,CC(=O)C(Sc1nc(N(C)C)nc(N(C)C)n1)C(=O)Nc1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1956223,CCCc1nc2oc3c(OC)ncnc3c2c2c1COC(C)(C)C2
+,,,,,,,,,,,0.0,0.0,,,,,CID662803,COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CCN1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,0.0,,,,,,,,,,,,,,,CID655442,Cc1ccc2nc3c(cc(C#N)c(=N)n3CC3CCCO3)c(=O)n2c1
+,0.0,,,,,,,,,,0.0,0.0,0.0,,0.0,,CID614000,COCNc1nc(OCC#N)nc(N(C)C)n1
+,,,,,,,,,0.0,,0.0,,,,,,CID4081068,COc1ccc(OC)c(S(=O)(=O)Nc2ccc(F)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID16190130,Cc1nonc1C1CCCN1Cc1nc(-c2ccc(F)cc2F)oc1C
+,,,,,,,,,,,,,,0.0,,,CID1970162,O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccco1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID651158,Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID2352196,CCOC(=O)c1sc(NC(=O)c2ccc(C)s2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID993878,CC(=O)Nc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID780985,Nc1nc2ccccc2n1CCOc1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID739530,COc1ccc(/C=N/NC(=O)c2cnccn2)cc1O
+,,,,,,,,,,,,,0.0,0.0,,,CID2868441,CC(C)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCCCC1
+,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID666943,CCCc1cc(=O)n2[nH]c(C)nc2n1
+,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,CID2086744,COc1cc2c(cc1OC)CN(Cc1nc(=O)c3sccc3[nH]1)CC2
+,,,,,,,,,,,0.0,,,,,,CID882007,O/N=C/c1cccn1-c1ccc(Br)cc1
+,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0,CID648985,COCCCNC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,CID647580,COc1ccc(Cl)cc1NC(=O)CSc1nncn1-c1cccnc1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID663022,CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CCN3CCSCC3)c12
+,,,,,,,,,,,0.0,,,,,,CID615122,CSc1ccc(Cl)c(C(=O)NCCOc2cc(C(C)C)ccc2C)c1
+,,,,,0.0,,,,,,,,,,,,CID684958,O=C(CSc1nc2ccccc2[nH]1)Nc1nc2ccccc2s1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID2192711,Cc1ccc(SCCNC(=O)C(C)C)cc1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2192012,CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)c(C#N)nn1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2433226,CCN(CC)S(=O)(=O)c1ccc(Cl)nc1
+,0.0,,,0.0,,,,,,,,,,,,,CID661623,COc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3ccc(N(C)C)cc3)C2C1=O
+,,,,,0.0,,,,,,,,,,,,CID4614067,Cc1cccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)c1
+,,,,,,,,,,,,,0.0,,,,CID1234435,CCOC(=O)c1nn(-c2ccc(OCC)cc2)c2nc(-c3ccco3)c(C#N)c(=O)n12
+,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID766781,S=c1[nH]ncn1/N=C/c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID5521850,CC1=C/C(=C2/CC(c3ccc([N+](=O)[O-])cc3)=Nc3ccccc3N2)C(=O)C=C1
+,,,,,,,,,0.0,0.0,,,,,,,CID1458607,CS(=O)(=O)N1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc21
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3237193,CC(C)(C)C1CCc2onc(C(=O)N3CCOCC3)c2C1
+,,,,,0.0,,,,,,,,,,,,CID11958646,CCCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID1840789,CCn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccc(N)cc1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,CID666557,COc1ccc(C)cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2460474,O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccccc1OCCOc1ccccc1
+,,0.0,,,,0.0,,,,,,,0.0,,,,CID800651,O=c1c2ccccc2ncn1-c1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID804991,S=c1[nH]ncn1/N=C/c1cccc(Oc2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID3156894,O=C(NCCNC1CCN(Cc2ccccc2)CC1)c1cccs1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID2952826,CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nc(C)c(Br)c3C)c1)C(C#N)=C(N)O2
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID2998306,CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1N
+,,,,,,,,,,,,,0.0,0.0,,,CID567073,COc1cc(C)ccc1S(=O)(=O)N1CCCCCC1
+,,,,,,0.0,,,,,,0.0,,,,,CID644584,CCC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
+0.0,,0.0,,,,,,,,,,,,,,,CID1251687,Cn1nnnc1NCc1c(F)cccc1Cl
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID2945320,OC(COc1ccc2ccccc2c1Br)Cn1ccnc1
+0.0,,,,,,,,,0.0,,,,,,,,CID2945826,CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
+,,,,,,,,,,,,,0.0,,,,CID2368324,Cc1ccc(-n2cc(C(=O)c3cc(Cl)ccc3O)cc(C#N)c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1117405,COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)c3ccccc3n2)cc1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID1294290,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)c(OC)c1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,CID619081,COC(=O)COc1ccc2occ(C(C)=O)c2c1
+,,,,,0.0,,,,,,,,,,,,CID3382829,C=CCSc1nc(Oc2ccccc2)c2sccc2n1
+0.0,,,,,,,,,,,0.0,,,,,,CID648654,CC(C)CCNC(=O)C(c1ccco1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
+,0.0,,,,,,0.0,,,0.0,,,0.0,,,0.0,CID663974,N#Cc1nc(Cc2cccc3ccccc23)oc1NCCCN1CCOCC1
+,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID2866410,Cc1nc(N)sc1-c1csc(Nc2ccccc2)n1
+,,,,,,0.0,,,,,,,,,,,CID866575,CCN(CC)C(=O)c1cc2c(=O)n3ccccc3nc2s1
+,,,,,,,,,,,,,,0.0,,,CID4175602,O=C(NN=C(Cc1ccccc1)Cc1ccccc1)C1CC1
+,,,,,,,,,,,0.0,,,,,,CID2932801,Cc1ccc(C(=O)NCCCN2CCOCC2)o1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,,,CID699972,CCOC(=O)c1cc2ccc(OC)c(OC)c2c(=O)s1
+,,,,,,,,,0.0,,,,,,,,CID4121251,Cc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID5310453,Cc1ccn2cc(CCNC(=O)c3ccc(Br)o3)nc2c1
+,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID800434,O=C(CNC(=O)C1CCCCC1)NC1=NCCS1
+,,,,,,,,,,,0.0,,,0.0,,,CID1214642,CC(=O)c1nn(-c2cccc(Br)c2)cc1C(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2274183,COc1ccc(C(=O)N/C(=C/c2cccs2)C(=O)NCCN2CCOCC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID666372,O=C(c1ccc(Cl)cc1Cl)C1(n2cncn2)Oc2ccccc2C1O
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID663721,CC1CCCN(c2oc(-c3cccc4ccccc34)nc2C#N)C1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID5308309,CCC(C)NC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C
+0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,CID3244574,O=C(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID841703,CCN(CC)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID652692,COc1ccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1OC
+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID2952321,Cc1ccc(-c2nnc(N3CCN(S(C)(=O)=O)CC3)c3ccccc23)cc1
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID2059696,Cc1nnc(SCC(=O)Nc2nsc(-c3ccccc3)n2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID800555,Cc1cc(Cl)ccc1NC(=S)NCc1cccs1
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,,CID5307256,COC(=O)C1=NC2=NC3=C(C(=O)CCC3)C(c3cccc(Cl)c3)N2N1
+,,,,,,,0.0,,,0.0,,,1.0,,,0.0,CID654234,COC(=O)c1ccc(OC(=O)c2ccco2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3158546,O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(Cl)c1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,,CID2954746,CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1ccco1
+,,,0.0,,,,,,,,,0.0,,,,,CID3243273,CCCCCCNS(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID888906,Cc1cccc(C(=O)Nc2cccc(Br)c2)c1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID1487974,CN(C)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2212619,CCn1c(SCc2nc(-c3ccccc3)no2)nnc1-c1cccs1
+,,0.0,,,,,,,,,,,,,,,CID6411273,CCN(CC)/C(=N/C(=O)NS(=O)(=O)c1ccc(C)cc1)NO
+,,,,,,,,,,,,0.0,,,,,CID2950651,Cc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccn2)o1
+,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID1242719,CN(C)S(=O)(=O)c1cccc(C(=O)N(Cc2ccc(F)cc2)Cc2ccco2)c1
+,,,,,,,,,,,0.0,,,,,,CID2271538,Cc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID2976450,CCOc1ccccc1-c1nnc(SCC(=O)NC2CC3CCC2C3)n1CC
+0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID1304606,CN(c1ccccc1C(=O)Nc1cccc(C(F)(F)F)c1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID925601,CCn1nnnc1NC(=O)c1ccc2ccccc2c1
+,,,,,,,,,,,,,0.0,,,,CID3292830,CCOc1ncccc1C(=O)OCC(=O)c1ccc(Cl)s1
+,,,,,,,,0.0,,,,,,,,,CID3242956,O=C(O)CNS(=O)(=O)c1ccc(Br)s1
+0.0,,,,,,,,,,,,,,,,,CID5307615,Cc1ccc(C2CC(c3cccc(Br)c3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1441544,Fc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1
+,,0.0,,,,,,,,,,,,,,,CID5307469,O=C(Nc1cccc(F)c1)C1C2C=CC3(CN(CCCN4CCOCC4)C(=O)C13)O2
+0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,,CID664072,COc1ccc(CCNc2oc(-c3ccco3)nc2C#N)cc1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID657585,Cc1nc(NCc2ccccc2)c(C(N)=O)c2c1COC(C)(C)C2
+,,,,,,,,,0.0,0.0,,,,,,,CID2946220,N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1C1CCCCC1
+,,,0.0,,,,,,0.0,,,,,,,,CID2992031,COCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,0.0,,,,,,,,,,0.0,,,CID3245902,COc1ccc(OC)c(/C=c2\sc3nc(-c4cccs4)nn3c2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2287720,S=C(NCCSCc1ccc(Cl)cc1Cl)Nc1ccccc1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID662547,O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID711369,CCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-]
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID5373216,COc1n[nH]c2nncnc12
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID665740,CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cccc(C)c4n3)c2)CC1
+,,,,,,,,0.0,,,,,,0.0,,,CID1150931,COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID877917,O=C(Oc1ccc(-c2nc(-c3ccccn3)no2)cc1)c1ccccc1
+0.0,,,,,,,,,,,,,,,0.0,,CID717369,Brc1ccc2nc3c(n2c1)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID2087800,CCCCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID4918744,COc1ccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID567841,O=C(CCN1CCOCC1)Nc1cccc(Br)c1
+,,,,,,,,,,,,0.0,,,,,CID645415,CC(C)COC(=O)c1ccc(NC(=O)C2C3C=CC(C3)C2C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2595313,CC(=O)Nc1ccccc1OCc1nnc(-c2ccc(Cl)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID3211229,CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccs1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID664528,CCCCN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
+,,,0.0,,,,,,,,,,,,,,CID5389353,COc1cccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)c1OC
+,,,0.0,,,,0.0,,,,,,,,,,CID3239392,CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1
+,,,,,,,,0.0,,,,,,,,,CID1845011,Cn1nc(-c2ccc(N3CCOCC3)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID1767171,CCNC(=S)NNC(=O)c1csc(C(C)C)c1
+,,,,,,,,,,,,,,0.0,,,CID665491,COc1ccc(/C=N/n2c(N)nc3ccccc32)cc1OC
+,,,,0.0,,,,,,,,,0.0,,0.0,,CID662212,Cc1cccc2c(=O)cc(C)n(CC(=O)N3CCCCC3)c12
+,,,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,CID667401,CSc1n[nH]c(NC2=CC(=O)CCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID4279676,CC(Oc1ccc(F)cc1)C(=O)Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2
+,,,,,,,,,,,,,,0.0,,,CID5127615,CCC(C)NC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID765313,COc1cc(OC)c(CN2CCCCCCC2)cc1Br
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID3244520,O=C(O)CSCc1cnn(-c2ccccc2)c1-n1cccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID294543,CC(C)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
+,,,,0.0,,,,,,,,,,,,0.0,CID3241398,O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID3243078,O=C(O)C1CCN(S(=O)(=O)c2cccnc2)CC1
+,,0.0,,,,,,,,,,,,,0.0,,CID768661,CCn1c2c(c3cc(C(=O)O)ccc31)CCCC2=O
+,,,,,,,,,,0.0,,,,,,,CID1046833,O=C(C1=C(N2CCCC2)CCc2ccccc21)c1cccc(Br)c1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID969751,O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1
+,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,CID877361,Cc1oc(C(=O)O)cc1CSCc1cc(C(=O)O)c(C)o1
+,,,,,,0.0,,,,,,0.0,,,,,CID934406,N#Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID11958624,Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccco3)nc2C)cs1
+,,,,,,,,,,,,,0.0,,,,CID1034598,CCOC(=O)c1sc2nc(SC)nc(-c3ccc(Cl)cc3)c2c1N
+,,0.0,,,,,,,,,,,,0.0,,,CID5310533,COc1ccccc1NC(=O)CSc1ccc2nnc(-c3ccncc3)n2n1
+,,,,,0.0,,,,,,,,,,,,CID4220696,CCS(=O)(=O)c1ccc2oc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID2356673,Cc1c(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]
+,,,,,,,,0.0,,,,,,,,,CID687645,COc1ccc(/C=N/NC(=O)CCc2c(C)n[nH]c2C)cc1O
+,0.0,0.0,,,,,,,,,,,,,,,CID895149,O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1400145,c1ccc(-c2cc(-c3nnc4n3N=C(c3ccc5ccccc5c3)CS4)[nH]n2)cc1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID660890,COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(N2CCOCC2)cc1N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID1484747,CCOC(=O)c1cnc(SC)nc1Sc1ccccc1Cl
+,0.0,,,,0.0,,,,,,,,,,,,CID5742456,CC1=C2C(=NC(=O)N(c3ccccc3)C23C(=O)N(C)c2ccccc23)N(c2ccccc2)N1
+,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,,CID767637,COc1c[nH]n(C2CCCCC2)c(=O)c1=O
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID5308543,O=C(Cn1cc2c(n1)CCCC2)NCc1cccs1
+,,,,,,,,,0.0,,,,0.0,,,,CID2449811,Cc1ccc(C(=O)Nc2nc(C(C)(C)C)cs2)s1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID661217,N#Cc1nc(-c2cccs2)oc1NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5346386,Cc1cccc(/C(N)=N/OC(=O)Cc2ccc(Cl)cc2)c1
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+,0.0,,,,,,,0.0,,,,,,0.0,,,CID665218,COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCN(c2ccccc2OC)CC1
+0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,,CID664361,Cc1nc(SCC(=O)Nc2ccccc2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,0.0,,,,CID3139244,COc1ccc(C)cc1N(CC(=O)N/N=C/c1ccc2c(c1)OCO2)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID776618,Cc1cc2c(cc1C)CSC(c1ccc(O)cc1)SC2
+0.0,,,,,,,,,0.0,,,,,,,,CID5309347,Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID1555212,COCCN1CC(=O)C(c2nc(=O)c3ccccc3[nH]2)=C1N
+,,,,,,,,,,,,,,0.0,,,CID827691,C/C(=N\OCC(=O)Nc1ccccc1)c1cccs1
+,,,,,,,0.0,,,,,,,0.0,,,CID2149377,CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12
+,0.0,,0.0,,,,,,,0.0,,,0.0,,,,CID2266910,CCCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID714249,N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1
+,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,CID655047,Cc1ccc(S(=O)(=O)NCC(=O)N(CCc2ccccc2)CC(=O)NCc2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2210662,COC(=O)C(C(=O)OC)N1C(=O)CCC1=O
+,,0.0,,,,,,,,0.0,,,,,,,CID935473,CC1(C)CN=C(NCc2ccccc2Cl)S1
+,,,,,,,,,,,,,0.0,,,,CID16193458,COc1ccc(/C=N/NC(=O)c2ccccc2OCc2ccccc2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID645910,N#CCCCn1c(-c2ccccc2)noc1=O
+,,,0.0,,,,,,,,,,,,,,CID3243751,CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OC)c2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID938773,CC(C)(C)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID1432578,O=C(O)c1cccnc1Nc1ccc(Cl)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID883239,Brc1ccc(-n2cccc2/C=N/n2cnnc2)cc1
+,,,0.0,,,,,,,0.0,0.0,,,,,,CID2517654,Nc1cc(-c2ccco2)no1
+,,,,,0.0,,,,,,,,,,,,CID879115,Cc1cccc(C)c1-n1c(C)n[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID1379621,COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)Cc2ccccc2)cc1OC
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID746545,COc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)cc1
+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID649052,Cc1cc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)no1
+,,,,,,,,,,,,0.0,,,,,CID646703,C=COCCNC(=O)Nc1ccc(Cl)c(Cl)c1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID1254565,Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID663644,CCC(C)C(NC(=O)NCc1ccccc1)C(=O)O
+,,,,,,,,,,0.0,0.0,,,,,0.0,CID975665,O=C(NS(=O)(=O)c1ccccc1)c1ccccc1O
+,,0.0,,,,,,,,,,,,,,,CID727067,O=C(C1CCCCC1)N1CCN(c2ncccn2)CC1
+,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,,,CID666394,Cc1nn(-c2ccccc2)c2nc(N)c(C#N)c(-c3ccc(F)cc3)c12
+0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,CID644432,O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2489467,CCCCn1c(N)c(C(=S)NC(=O)CC(C)C)c(=O)n(C)c1=O
+,,0.0,,,,,,,,,,,,,,,CID648367,O=C(NCC1CCCO1)C1CCCN(c2ncccn2)C1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID644569,CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)Cc5cccs5)C4)nc2-3)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID2390805,Cc1ccc(C(=O)N2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1
+,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID711930,COc1cc2c(cc1OC)-c1nnc(-c3cccs3)n1C(C)(C)C2
+,,,,,,,,,,,,,,0.0,,,CID1175766,O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)N1CCN(C(=O)c2ccco2)CC1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,,CID5309196,Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1CCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2117472,CN1CCN(C(=O)CCC(=O)c2ccc(F)cc2)CC1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,CID2731039,COc1ccc(CNc2ccc(C(=O)O)cc2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID9550779,Cc1cc(C(=O)NCCCN2CCN(c3cc(Cl)ccc3C)CC2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1481893,COc1ccc(C(=O)O/N=C(\C)c2nccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3698321,Cc1ccc(C(=O)Nc2nccc(-c3cccs3)n2)cc1
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID2397931,CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID857519,CCc1cc2cc(C)cc(C)c2nc1SCC(=O)N1CCCC1
+,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,CID2529716,O=c1[nH]c(CSc2nnc(-c3ccco3)n2-c2ccccc2)nc2sc3c(c12)CCC3
+,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,CID2290503,CCCCOCCCNC(=O)c1ccc2c(c1)OCO2
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID649391,CN(c1ccc(O)cc1)c1nc(-c2ccccc2)cs1
+0.0,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID706057,Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C
+,0.0,,,0.0,,,0.0,,,,,,,,,,CID2999600,CCC(c1nnc(SCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)o1)N(C)C
+,,,,,,,,,0.0,,,,,,,,CID2491904,O=C(CSc1nncn1-c1ccccc1)NCc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1147085,Cc1nnc(SCC(=O)NNC(=O)c2ccco2)n1-c1ccccc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID3793563,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1nc2ccccc2[nH]1
+,,,0.0,,,,,,,0.0,0.0,,,,,,CID5389872,Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID1484761,Cc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2
+,,0.0,,,,,,0.0,,,0.0,,,,0.0,,CID2999227,CCOC(=O)C1CCCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)C1
+,,,,,,,,0.0,,,,,0.0,,,,CID883146,CCN(CC)S(=O)(=O)c1cc(C)c(C)cc1Br
+,,,,,,,,,,,,,,0.0,,,CID5602629,CN1C(=O)C(=C/C=C/Nc2ccccc2)C(=O)N(C)C1=O
+,,0.0,,,,,,,0.0,,,,,,,,CID3239664,COc1ccc(Cn2c(CCC(=O)N3CCN(c4ccccn4)CC3)nc3ncccc3c2=O)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID829872,Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C)cc1
+0.0,,,,,,,,,,,,,,0.0,,0.0,CID658970,CCCSc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2
+,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,,CID859756,Cc1n[nH]c(SCC(=O)NCCc2ccccc2)nc1=O
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID644913,Cn1nnc2cc(C(=O)NC(C)(C)C)ccc21
+,,,0.0,,,,,,,,,,,,,,CID5771363,COc1cccc(C2C(C(=O)Nc3cccnc3)=C(C)N=C3N=NNN32)c1OC
+,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,CID2172321,CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2Sc2ccccc2)CC1
+,0.0,,,,,0.0,,,,,,0.0,0.0,,,,CID647037,CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID3237692,O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
+,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID1045984,C=CCn1c(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)nnc1-c1cccs1
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID645273,Cc1cc2c(c(=O)o1)C(C(C)C)C(C#N)=C(N)O2
+,,,,,,,,,0.0,,,,,,,,CID5310359,CC1CN(c2ccc(Oc3ccccc3)cc2)c2nc3c(c(=O)n(CC(N)=O)c(=O)n3C)n2C1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID654320,CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3nnnn3C)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5105613,CC(=O)Oc1ccc2c(c1)OC(c1ccccc1)CC21CC(C)(C)NC(=S)N1
+,,,,,,,,,,0.0,,,,,,,CID677942,COc1ccc2c(c1)C(=O)c1ccccc1CO2
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID720990,O=C(CSc1nnc(-c2ccccc2)o1)OCc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID648447,COc1cccc(C2C3CN(C)CC=C3C(C#N)=C(N)C2(C#N)C#N)c1OC
+,,,,,0.0,,,,,,,,,0.0,,,CID3557588,COC(=O)c1cn(NC(=O)c2cccc(F)c2)c(=O)c2ccccc12
+,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,CID2498753,Cc1ccccc1CSCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID3452486,Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1
+0.0,,0.0,0.0,,,,,0.0,,,,,,,,,CID3242628,O=C(CCn1c(=O)c2ccccc2n(Cc2cccnc2)c1=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,,,,,,CID2228264,CCOC(=O)c1ccc(CNC(=O)CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2952603,O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1ccncc1
+,,,,0.0,,,,,,,,,,,,,CID2312918,CCCCN(C(=O)NC(=O)Nc1nc2ccc(OC)cc2s1)S(C)(=O)=O
+,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID2961222,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cl)c1
+,,,,,,,0.0,,,,,,,,,,CID3243730,Cc1ccc(-c2nc(CS(=O)CC(=O)NCCN(CC(C)C)CC(C)C)c(C)o2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID227268,CC(NS(=O)(=O)c1ccccc1)C(N)=O
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID654050,CC1(C)CC(=O)C=C(NCCCN2CCCC2=O)C1
+,,,,,0.0,,,,,,,,,,,,CID5997879,O=C(/C=C/c1ccc(Cl)cc1)c1cccnc1
+0.0,,,,,,,,,,,,,,,,,CID5309522,O=C(NCc1ccc(F)cc1)C1=CC2=NC(C3CC3)CC(C(F)(F)F)N2N1
+,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID2218719,COc1cccc(-c2nc(=S)c3c(n2CCCO)CCCC3)c1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID5307906,CCN(CCNC(=O)c1cc(C)nn1-c1ccccc1)c1ccccc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID2160228,CC(C)(C)n1nc2c(c1NC(=O)CCCc1ccccc1)CS(=O)C2
+,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,CID658397,CC(=O)CC(C)(C)n1nnc(-c2ccccc2)n1
+,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,CID667001,Cc1nnc2n(c1=O)C(CS(=O)(=O)c1ccccc1)CS2
+,,0.0,,,,,,,0.0,,,,0.0,,0.0,,CID3239897,COCCn1c(=S)[nH]c2cc(C(=O)NCCCN3CCOCC3)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID5310737,NC1=NON/C1=C(/N=O)N1CCN(CCO)CC1
+0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,CID2572847,c1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16190312,CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)C2CC2)C1
+,,,,,0.0,,,,,,,,,0.0,,,CID780423,Cn1cnnc1SCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2972410,Cc1cc(C)cc(/N=c2/c([N+](=O)[O-])nn(-c3cccc(Cl)c3)n2O)c1
+,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,CID661729,CCOC(=O)c1ccc(CC2S/C(=C(\C#N)C(C)=O)NC2=O)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID659499,Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1
+,,0.0,,,,,0.0,,,,,,,,,,CID3236085,O=C(NC1CCCC1)C1CC(=O)N(CCc2ccccc2)C1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,,,CID762675,Cc1csc2nc(=O)c(-c3ccccc3N)nn12
+,,0.0,,,0.0,,,,,0.0,,,,,,,CID2695328,CCOC(=O)/C=C1\SCC(=O)N1CC(=O)NC1CCCCC1
+0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,CID1105871,Cc1cc(=O)nc(SCc2nc3ccccc3n2Cc2ccccc2)[nH]1
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID645856,CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccc(C)cc2)s1
+0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID655500,COc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1
+,,,,,,,,,,,,0.0,,,,,CID5741987,NC1=NC2(CCCCC2)N2C(=N1)Nc1ccccc12
+,,,,,,0.0,,,,0.0,,,,,,,CID2119654,CCn1c(=O)c(C(=O)CN2CCOCC2)c(N)n(Cc2ccccc2)c1=O
+,,,,0.0,,,,,,,,,,,0.0,,CID5058401,Cc1ccc(C2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2174159,CCCCNC(=O)Nc1cc(C(=O)OC)ccc1Cl
+,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID644563,CC(=O)Nc1ccc(-c2nn3c(C)nnc3s2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID1251838,O=C(CCc1nc(-c2ccccc2Cl)no1)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID976277,CC(C)OC(=O)c1ccc(COC(=O)c2cnccn2)cc1
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID2828709,O=C(O)CC(C(=O)O)n1nc(-c2ccccc2)cc1-c1ccccc1
+,,,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,CID3245838,CC1(C)CC(=O)c2cc(OCC(=O)NCc3cccnc3)ccc2O1
+,,,,,,,,,,,,,0.0,,,,CID12005304,Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCc4ccccc4C3)cc2)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID666859,Cn1c(NCCN2CCOCC2)nc2c1c(=O)n(Cc1cccc(Cl)c1)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID1301411,Cc1ccc(S(=O)(=O)c2nc(NCc3ccc4c(c3)OCO4)sc2Cl)cc1
+,,,,0.0,,,,0.0,,,0.0,,,,,0.0,CID651500,COc1ccc(CN(CC(=O)NCC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(C)cc2)cc1
+,,0.0,,,,,,,0.0,,,,,0.0,,,CID3243476,CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CC(C)CC2
+0.0,,,,,,,,,,,,,,,0.0,,CID5307400,Cc1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)o1
+,,,,,,,,0.0,,,,,,,,,CID1796955,C/N=C1/S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1C
+,,,,,,,,,0.0,,,,0.0,,,,CID788172,Cc1ccc(C(=O)c2coc3ccc(O)c(Cl)c23)cc1
+,,,,,,,,0.0,,,,,,,,,CID3239155,COc1ccc(N(C)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID648162,O=C(Oc1cccc2cccnc12)c1ccc(Br)o1
+,,,,0.0,,,,,,,,,,,,,CID648362,Cc1cc(C)c2c(n1)sc1c(=O)cc(O)[nH]c12
+,,,,,,,,,,,,0.0,,,,,CID3238377,CCOCCCNC(=O)C(NC(=O)CNC(C)=O)c1ccc(Cl)cc1
+,,,,0.0,,,,,0.0,,0.0,,0.0,,,,CID2490118,COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)o1
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,,CID2998768,CCCn1c(NC(=O)c2ccccc2)nc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID4420570,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,,0.0,,,CID2034766,O=C(Nc1c(Cl)ccc2nsnc12)c1ccco1
+0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID652149,COc1ccc(CNC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3239729,Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1
+,,,,0.0,,,,,,,,,,,,,CID2112934,Nc1nc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)n[nH]1
+,,,0.0,,,0.0,,,,,,,,,,,CID3236117,CC(=O)C(Sc1ncnc2c1nnn2-c1ccc(F)cc1)C(=O)N(C)C
+,,,,,,,,,,,,,0.0,,,,CID1961208,O=C(Nc1ccc(N2CCCC2)cc1)C(c1ccccc1)c1ccccc1
+,,,0.0,,,,,,,,0.0,,,0.0,,0.0,CID646972,COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2C)n1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID779786,CN(C)c1ccc(/C(=N\O)C(F)(F)F)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID804466,COc1ccc(Nc2cc(=O)oc3ccccc23)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID2791878,CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCCN3CCOCC3)c2c1
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+,,0.0,,,,,0.0,,0.0,,,,,,,,CID2224061,CC12CN3CC(c4ccccc4)(CN(C1)C31CCCCC1)C2=O
+,,,,0.0,,,,,,,,0.0,,,,,CID657988,CSC1=C(C#N)C(CC(C)C)C(C(C)=O)=C(C)N1
+,,,,,,,,,,,,,,0.0,,,CID12005468,O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1cn(Cc2ccccc2)c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID2192084,Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)n1C
+,,0.0,,,,0.0,,,,,,,0.0,0.0,,,CID1950083,COCCN(CCOC)C(=O)c1cc2sc3ccccc3c2s1
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+,0.0,,,,0.0,,,,,,,,,,,,CID6324565,CCN(CC)CCCNC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2953847,CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1
+,,,,0.0,,,,,,,0.0,,,,,,CID791069,COc1ccc(Nc2ccc3c(c2)=NC2(CCCCC2)[N+]=3[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID732180,Cc1ccc(NC(=O)c2ccc3nc[nH]c3c2)cc1C
+0.0,,0.0,,,,,,,,,,,,,,,CID2220893,O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccn3)nc3ccc(Cl)cc23)CC1
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID747845,O=c1cccc(-c2ccc(Br)cc2)o1
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+,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,CID652012,O=C(COc1ccccc1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2849198,Cc1ccc(C(=O)O/N=C(\N)c2nonc2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID2953718,CN1CCN(NC(=O)c2cc(Br)ccc2Cl)CC1
+,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,CID721129,Nc1ccc2nn(-c3cccc4ccccc34)nc2c1
+,0.0,0.0,,,,,,,,,,,,,,,CID2110867,Cc1cc(C)nc(-n2nc(C)c3c(C(F)F)cc(C)nc32)n1
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+,,,,,,,,,,,,,,0.0,,,CID945245,COC(=O)CCn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID1102658,CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O
+0.0,,,,,,,,,,,,,,,,,CID5308954,CCOc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
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+,,,,,,,,,,0.0,,,,,,,CID5130332,COc1ccc(/C=N/n2c(=S)n(C)c3ccccc32)cc1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID626312,CCCCNS(=O)(=O)c1ccc(OC)c2ncccc12
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID653184,CC1Oc2ccccc2N(CC(=O)c2cccc(Cl)c2)C1=O
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+,,,,,,,,,,,,,0.0,,,,CID1491178,O=Cc1ccnc(-c2ccc(OC(=O)c3ccco3)cc2)n1
+0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,CID663384,O=S(=O)(Nc1nc2ccccc2nc1NCC1CCCO1)c1cccs1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID647960,CCOC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C
+,,,,,0.0,,,,,,,,,,,,CID4876409,C=CCNc1nnc(SC2CC(=O)N(c3ccc(OCCC)cc3)C2=O)s1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID2397705,COc1ccccc1OC(=O)c1ccc(SC)cc1OC
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID665134,O=C1CC(c2ccc(F)cc2)Cc2nc(NCc3ccco3)ncc21
+,,,0.0,,,,,,,,,,,,,,CID1250396,Fc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2944615,CC(C(=O)Nc1nccs1)c1ccc([N+](=O)[O-])cc1
+0.0,0.0,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,CID3238996,CN(CC(=O)NCCN1CCCCCC1)S(=O)(=O)c1cccc2nsnc12
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID1299465,COc1ccccc1C(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(C)C
+,0.0,,,,,,,,0.0,,,,,,,,CID885803,COCC(=O)Nc1ccccc1NC(C)=O
+,,,,,,,0.0,,,,,,,,,,CID4108660,CCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NCCOC)cc3)c(=O)c2cc1OCC
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+,,0.0,0.0,,,,,,,,,,,,0.0,,CID660819,C=CCN(CC=C)c1nc2ccccc2nc1C(C#N)C(=O)OCCOC
+0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,,CID2304939,CCOC(=O)c1nc(-c2ccccc2)oc1N(C)C
+,,,,,0.0,,,,,,,,,,,,CID720232,O=C1C(Cl)=C(NCc2ccccc2)C(=O)N1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5115064,CCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12
+,,,,,,,,,,,,,0.0,,,,CID309534,O=C(COc1ccccc1)Nc1ccccc1Cl
+,0.0,,0.0,,,,,,,,,,,,,,CID834424,CSc1n[nH]c(NCc2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5337705,O=C1/C(=C/c2ccccc2)SC(=S)N1/N=C/c1ccccc1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID2318451,O=C(O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID3245833,CCOC(=O)Cn1c2c(c(-c3ccccc3OC)cc1=O)CCCC2
+0.0,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID866806,Cc1c(C(=O)OC(C)C)[nH]c2c1C(=O)CCC2
+0.0,,,,,,,,,,,,,,,,,CID646633,Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
+,,,,,,,,,0.0,,,,,,,,CID1326389,COc1ccc(Cl)cc1NS(=O)(=O)c1cc(Cl)ccc1OC
+,,,,,,,,0.0,,,,,,,,0.0,CID2998913,Cc1ccc(S(=O)(=O)c2nc(NCCCn3ccnc3)sc2Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID993467,COc1ccc(C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID975318,COc1ccccc1NC(=O)CCSc1nnc(-c2ccco2)o1
+,,,,,,,,,,,,,,,,0.0,CID666170,NC(=O)C1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1
+,,,,,,0.0,,,,,,,,,,,CID3245254,CCOCCCNC(=O)C(NC(=O)C1CCC(=O)N1)c1ccc(C)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2244546,Cc1ccc(N2C(=O)CC(=O)NC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2675231,O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID663902,CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1
+,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,CID645443,Cc1ccc(-n2c3c(cc(C(=O)Nc4cccc(C)n4)c2=O)C(=O)CCC3)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2234382,Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(Br)o1
+,,,,0.0,,,0.0,,,0.0,,,,0.0,,,CID2435656,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID662066,CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccc(OC)c(OC)c1OC)C(C#N)=C(N)O2
+,,,,,,,,,,,0.0,0.0,,,,,CID650637,CC(C)CC(=O)Nc1ccccc1-c1nnn(CC(=O)N2CCOCC2)n1
+,,,0.0,,,,,0.0,,,,,,,,,CID3239423,CCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
+,,,,,,,,,,0.0,,,,0.0,,0.0,CID658714,Cc1ccc(N(CC(=O)O)C2SC(=O)NC2=O)cc1
+,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,0.0,,,CID2133502,Cc1cccc(NCN2C(=O)c3ccncc3C2=O)n1
+,,,,,,,,0.0,0.0,,,,,,,,CID217228,O=C1C(=CNc2ccccc2)C(=O)c2ccccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID721262,COc1ccccc1NC(=O)COc1ccccc1
+,0.0,,,,,,,,0.0,,,,,,,,CID660129,COc1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID664441,CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(C)cc1
+,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,CID1253300,CCOC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID1288545,Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID782380,CCCN(CCO)Cc1cccc(Br)c1
+,,,,,,,,,,0.0,,0.0,,,,,CID651694,CC(C)(C)C(=O)CCN1C(=O)C2(OCCO2)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID1884940,C=CCn1c(N)c(C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3nc21
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID2838075,CCOC(=O)C1CCCN(Cc2ccc(O)c(OC)c2)C1
+,,,,,,,,,,,,,,,0.0,,CID2801031,Cc1cc(/N=C/N(C)C)on1
+,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,CID653152,CCOC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCCC2
+,,,,,,,,,,0.0,,,0.0,,,,CID3895178,CC(C)Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID11958682,COc1c2ccc(C(=O)NCCCCc3ccccc3)cc2nn1C
+,,,,,,,,,,,0.0,,,,,,CID5735148,COc1ccc(C(=O)/C(=C/c2cccs2)c2nc3ccccc3o2)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID1076329,COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2OC)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID5310307,COC(=O)Cn1c(=O)c2c(nc3n2CC(C)CN3c2ccc(C)c(C)c2)n(C)c1=O
+,,,,,,,,,,,,0.0,,,,,CID661695,CCCCCCNC(=O)c1c(N)n(/N=C/c2ccco2)c2nc3ccccc3nc12
+,,,,,,,,,,,,,0.0,,,,CID1122140,O/N=C/c1ccc(OCc2ccccc2)c(Cl)c1
+,,,,,,,,0.0,,,,,,,,,CID4602436,CC1CCCC(NC(=O)Cc2ccc(Br)cc2)C1C
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID659691,CC1(C)Cc2[nH]c(=O)c(C#N)cc2CS1
+,,,,,,,,,0.0,,,,,,,,CID5309715,O=C(Cn1cc2c(n1)CCCC2)NCc1cccnc1
+0.0,0.0,,,0.0,,,,,,,,,,0.0,,,CID4638058,Cc1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID739439,CN(C)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O
+,,,,,,,,,,,,,,0.0,,,CID4134427,Cc1cc(C)cc(NC(=S)NCc2ccc3[nH]c4c(c3c2)CCCC4)c1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2855339,COC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID2225103,COc1cc(C(=O)NCCCN2CCCC2=O)cc(OC)c1OC
+,,0.0,,,,,0.0,,,,,,,,,,CID5741923,O=C1CC(c2cccs2)CC2=C1C(c1ccccc1)N1NC=NC1=N2
+,,,,,,,,,0.0,0.0,,,,,,,CID2962006,CCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2
+,,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID2986868,O=C(Nc1nc2c(s1)CCCC2)C1COc2ccccc2O1
+,,,,,,,,,0.0,,,,,,,,CID2842558,O=C(NCC1CCCO1)c1ccccc1
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,,CID5309782,O=C(c1nnc(Cc2ccc(Cl)cc2)o1)N1CCc2ccccc2C1
+,0.0,,,,,,,,,,,,,,,,CID2961855,Cc1ccc(SCc2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)cc1
+,,,,,0.0,,,,,,,,,,,,CID2923067,CCOC(=O)C(CCCOc1ccc(C(C)CC)cc1)C(=O)OCC
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3241426,COc1cccc(/C=N/n2cncn2)c1OCC#N
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,CID2028588,COc1ccc(Oc2ncnc3c2ncn3Cc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID992692,O=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID645126,NC(=O)Cn1cnc(-c2ccccc2)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID728759,Cc1cc(N2CCOCC2)c(F)cc1C(=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,0.0,CID5309177,CCN(CC)CCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
+0.0,,,,,,,0.0,,0.0,,,,,,,0.0,CID660546,Cc1cccc(OCC(=O)N2CCC(N3CCCCCC3)CC2)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID2224442,CCOc1cc(C(=O)N2CCOCC2)ccc1OCc1ccccc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID2116993,Cn1nc(C(=O)NCc2ccccn2)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID3432003,Cc1cc(=O)nc(/N=N/C(=N/Nc2ccccc2C)c2ccccc2)[nH]1
+,,,,,0.0,,,,,,0.0,,,,,,CID5123360,COc1cc2c(cc1OC)C1Cc3c(cnc4c(-c5ccc(F)cc5)cnn34)C(=O)N1CC2
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID9595214,Cc1ccc(NC(=O)COc2ccc(/C(N)=N/O)cc2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID6413325,CCCCC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F
+,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID3237290,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID3243782,CCN(CC)CCOC(=O)c1ccc(NC(=O)COc2cc(=O)n(CC)c3ccccc23)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID5375380,O=NC1=C2NON=C2CC2(C1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID686099,Cc1ccc(Nc2nc3no[nH]c-3nc2=O)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID7551758,CCCCn1c(=O)nc2n(-c3ccccc3)c3ccccc3cc-2c1=O
+,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID3237707,O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID2841407,COC(=O)C(C)N(C(=O)c1cccc2ccccc12)c1c(C)cccc1C
+,,,,,,,0.0,,,,,,,,,,CID4421,CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21
+,,,,,0.0,,,,,,,,,,,,CID879186,O=C(Nc1ccccc1)Nc1nnc(COc2ccc(F)cc2)s1
+,,,,,,,,0.0,,,0.0,0.0,,,0.0,,CID2793381,O=C(O)c1cccc(CN2C(=O)CSC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID889613,COc1ccc(CC(=O)Nc2ccc(OC(C)=O)cc2C(=O)O)cc1
+,,,,,,,,,,0.0,,0.0,,,0.0,0.0,CID2972134,CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)Nc3ccc(OCC)cc3)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2767970,C/C(=N\OC(=O)c1ccc(F)cc1)c1sc(-c2ccccc2)nc1C
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+,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,CID2946457,O=C1CCCC2=C1C(c1ccncc1)c1c([nH]c(SCc3ccccc3Cl)nc1=O)N2
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID233401,Cc1cc(-c2ccccc2)nc(=O)[nH]1
+0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,CID2620923,COc1cc(Cl)c(C)cc1NC(=O)CSc1nc2ccccc2o1
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+,,,0.0,,,,,,,,,,,,,0.0,CID626332,FC(F)(F)Oc1ccc(Nc2nc3ccccc3o2)cc1
+,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,,,CID653030,Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1
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+,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,CID2402760,COC(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID3239493,Cc1ccc2c(c1)N(CCC(=O)N1CCC3(CC1)OCCO3)C(=O)CO2
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+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID2084549,CC1CCN(C(=O)CSc2nnc(-c3ccco3)o2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2969946,O=C(NCCCn1ccnc1)NC(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID4113977,Cc1nn(-c2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1Cl
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+,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID797691,C=C(C)CSc1nc(=O)c(Cc2ccccc2)c(C)[nH]1
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+0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,,CID1248585,O=c1ccc2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2o1
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+,,,,0.0,,,,0.0,,,,0.0,,,,,CID3243965,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)C1C=CS(=O)(=O)C1
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+,,,,,,,,,,,,,,0.0,,,CID2559556,COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cn1
+,,0.0,,,,0.0,,,,,,,,,,,CID2374693,Cc1cccc(Nc2n[nH]c(=S)s2)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID807394,Cc1ncc([N+](=O)[O-])n1CC(=O)NCc1ccccc1
+,,,,0.0,,0.0,,,,,,,,,,,CID2997763,O=C(COC(=O)C1COc2ccccc2O1)NC(=O)NC1CCCC1
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+,,,,,,,0.0,,,,,,,,0.0,0.0,CID2570663,CCn1c(SCC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)nnc1-c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID5849846,O=C1/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(c2ccccc2)=NN1c1ccccc1
+,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,CID645409,CCOC(=O)c1cccc(NC(=O)CCn2nnc3ccccc32)c1
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+,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,,CID2123616,Cc1nnc(NC2=NCCCCC2)o1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID3144898,CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1
+,,,,,,,0.0,,,,,,,0.0,,,CID889990,CC(C(=O)N1CCOCC1)(c1ccccc1)c1ccccc1
+,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,CID650207,O=C(Oc1cccc(-n2cnnn2)c1)c1sc2ccccc2c1Cl
+,,,,,,,,,,0.0,,,,,,,CID975939,CCC(=O)c1cc(F)c(N2CCN(CC)CC2)cc1C
+,,0.0,,,,,,,,,,,,,,,CID2955406,CCCc1cc(=O)nc(N/C(=N/C(=O)C(C)N2C(=O)c3ccccc3C2=O)Nc2ccccc2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1631626,COc1ccccc1OCCCC(=O)Nc1nccs1
+,,,,,0.0,,,,,,,,,,,,CID5865129,Cc1ccc(/C=C/C(=O)N2CC(C)CC(C)C2)o1
+0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,CID801986,O=C(O)CCSc1nnc(-c2ccccc2)n1-c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID706233,CN(C)c1ccc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID649096,Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1CC(C)C
+,,,,,,,,,,,,,0.0,,,,CID1490960,CC(C)Nc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,,,0.0,,,,,,,CID3244156,COc1ccc(OC)c(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID3237804,Cn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21
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+,,,,,0.0,,,,,,,,,,,,CID1484653,Cc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID75181,O=c1[nH]n(Cc2ccccc2)c2ccccc12
+0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,CID648420,CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID1237630,O=C(Nc1ccon1)c1ccc(Br)o1
+,,,,,,,,0.0,,0.0,,,,,,,CID1733897,Cc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccc(C)cc3)[nH]2)cc1
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID2966730,COC(=O)C1=C(C)NC(=O)C1(Nc1nccs1)C(F)(F)F
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+,,,,,0.0,,,,,,,,,,,,CID759714,CCOc1ccc(NC(=S)NCc2ccco2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID9587237,N/C(=N\OC(=O)Cc1cccs1)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3243143,Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccco3)o2)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID3242644,COc1cccc(NC(=O)Nc2cccs2)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID3243945,O=C1NC(=O)C(CC(=O)N(Cc2ccco2)C2(C(=O)NC3CCCC3)CCCCC2)N1
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+,,,,,,,,,,,0.0,,,,,,CID998659,Cc1nn(Cc2cccc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2)c(C)c1[N+](=O)[O-]
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+,,,,,,,,,,0.0,,,,,,,CID1165943,COc1cccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1
+,,,,,,,,,,,,,,0.0,,,CID4038301,Cc1cc(NC(=O)CN2C(=O)NC(C)(CCc3ccccc3)C2=O)no1
+,,,,0.0,,,,,0.0,,,,,,,,CID2218975,NS(=O)(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccccc2)cc1
+,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,CID2919318,CN(C(=O)c1ccccc1C(=O)c1ccccc1)C1CCS(=O)(=O)C1
+0.0,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,CID2695487,CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)on2)Cc2ccccc2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID16188484,Cn1cc(CNCc2ccccc2OCC(O)CN2CCc3ccccc3C2)cn1
+,,,,,0.0,,,,0.0,,,,,,,,CID736985,COc1cc(OC)cc(-c2nc3ccccc3s2)c1
+,,,,,0.0,,,,,,,,,,,,CID2853587,CC(C)(C)C1(O)CC(c2ccccc2)=NO1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID658118,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCSc1nc2ccccc2o1
+,,,,,,,,,0.0,,,,,,,,CID890243,O=S(=O)(Nc1cccnc1)c1cccc(Cl)c1
+,,0.0,0.0,,,,,,,,,,,,,,CID2123302,Cc1nnc(NC2=NCCC2)s1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID1294757,CCOC(=O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
+,,0.0,,,,,,,,,0.0,0.0,,,,0.0,CID2319808,Cc1nc2ccc(-n3ccc(=O)cc3)cc2s1
+0.0,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,CID2408767,Cc1ccc(C)n1-c1ccc(-c2nnco2)cc1
+,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,0.0,CID1974879,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NCc1c(F)cccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID5770828,CCC1CCCCN1C(=O)CSC1=NN/C(=C2/C=Nc3ccccc32)O1
+,,,,,,,,,,,,0.0,,,,,CID5307513,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccc(F)cc3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1372362,NNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID1151581,CCS(=O)(=O)N1CCN(C(=O)COc2ccc(-c3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID4835727,CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)CC2=O)cc1
+,0.0,0.0,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,CID660802,CC(NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C#N)cc1
+,,,,,0.0,,,,,,,,,,,,CID738224,CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccco2)cc1
+,,,,,0.0,,,,,,,,,,0.0,,CID5309765,Cc1ccc(C2=CC(c3ccc(N(C)C)cc3)N3NN=NC3=N2)cc1
+,,0.0,,,,,,,,,,,,,,,CID319314,COC(=O)CNC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C
+,,,,,,,,0.0,,,,,,,0.0,,CID2948489,O=S(=O)(NCC1CCCO1)c1ccc(Br)s1
+,,,,,,0.0,,,,,0.0,,,0.0,,,CID1735105,CSC1=N/C(=C\c2ccccc2F)C(=O)S1
+,,0.0,,,,0.0,,,,,,,,,,,CID5309770,COc1ccc(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl
+,,,,,,,,0.0,,,,,,,0.0,,CID707718,Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCC4
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID1313404,CCOc1cc(C2C(C(=O)OC)=CN(C3CCCC3)C=C2C(=O)OC)cc(Br)c1O
+,,,,,,,,,0.0,,,,,,,0.0,CID694622,COc1ccc(-c2nc(SC)n(C)c(=O)c2C#N)cc1OC
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID982407,COc1ccc(OC)c(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID1158054,O=C(NCc1ccc2c(c1)OCO2)C1(S(=O)(=O)c2ccccc2)CC1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID3243021,COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4F)oc3C)CC2)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID4225644,CC(=O)OC(C)(CCC(C)(OC(C)=O)C(C)=O)C(C)=O
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,CID652746,Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1CCc1ccccc1
+0.0,0.0,,,,,0.0,,,,,0.0,,,,,,CID654369,Cc1cccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)c1
+,,,,,,,,,,,,,,0.0,,,CID2789059,CC(C)CC(C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,0.0,0.0,,0.0,0.0,,,CID1107400,COc1ccccc1NC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
+0.0,0.0,,,,,,,,,,,,,,,,CID2319975,Cc1ccc(C(NC(=O)N2CCOCC2)=C(Cl)Cl)cc1F
+0.0,,,,,,0.0,,,0.0,,0.0,,,,,,CID1262765,COc1ccc(C(=O)N2CCN(c3c(C)cccc3C)CC2)cc1OC
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID788704,Clc1ccc(/C=N/C23CN4CN(CN(C4)C2)C3)cc1
+,0.0,,,,,,,,,,,,0.0,,,,CID666745,Cc1cc(N2CC(=O)N(CCc3ccccc3)C(=O)C2)n2ncnc2n1
+,0.0,,,,,,,,,,,,,,,,CID5309330,Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CCCCCC3)c(C)o2)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID2905685,CCOC(=O)C1CCCN(C(=O)c2ccc(OCC)cc2)C1
+,0.0,0.0,,,,,,,,,,,,,,,CID698541,C1CCN(c2nc3nonc3nc2N2CCCC2)C1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3120754,CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+,,,,0.0,,,0.0,,,,,,,,,,CID3243615,O=C(Nc1cccc(C(F)(F)F)c1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,CID3240774,CCN(CC)C(C(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID658664,Cc1nn(CC(=O)N2CCOCC2)c(=O)c2ccccc12
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID648888,O=C(CN(Cc1ccccc1)C(=O)CCC(=O)Nc1ccccn1)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2138881,O=C(Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1)c1cccs1
+0.0,,,,,0.0,0.0,,,,,0.0,,,,,,CID2999913,O=C1OCCC1Sc1nc2ccccc2n1-c1ccccc1
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID649288,COCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID662681,COc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
+,,,,,,,,,,,,,,,,0.0,CID2829560,CCOC(=O)N(CC)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1
+,,,0.0,,,,,,,,,,,,,,CID652556,Cc1nnc(N(CCC#N)CCC#N)s1
+,,,,,,,,,,,,,,,0.0,0.0,CID3239964,O=C(Cc1ccc(F)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+,,,,,,,,0.0,,,,,,,,,CID2699975,Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccccc1Br
+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID2953291,Cc1ccc(NC(=O)C2CC(=O)NC(N3CCCCC3)=N2)cc1Cl
+,,,,,,,,,,0.0,,,,,,,CID4037643,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nc2ccccc2[nH]1
+,,,,,0.0,,,0.0,,,,,,,,,CID3732364,CN(C)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3
+,,0.0,,,,,,,,0.0,0.0,,,,,,CID3239454,Cc1ccc(-c2noc(CCC(=O)NCCN3CCN(Cc4ccccc4)CC3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2319979,CCOC(=O)/C(=N\C(C)(C)C)NNc1cc(Cl)ccc1Cl
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID714738,CCOC(=O)c1nnn(-c2nonc2N)c1CN(C)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID898899,C=C(C)C(=O)Nc1nnc(-c2cccs2)s1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID1177169,Cc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,CID5308465,Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1
+,,,,0.0,0.0,0.0,,0.0,,,,,,,,,CID2088495,O=C(CCCSc1nc2ccccc2[nH]1)NC1=NCCS1
+,,,,,,,,,0.0,,,,,,,,CID659303,CCCCNC1C(CC)C(CCC)C(C#N)(C#N)C1(C#N)C#N
+,,,,,,,,0.0,,,,,,,,,CID250654,CCOC(=O)c1ccc(NS(C)(=O)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID3454755,COCCn1c(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)nc2ccccc21
+0.0,,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID3239654,Cc1ccccc1C(=O)c1cccn1CC(=O)NCc1ccco1
+,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,,CID646372,Cc1cnc(NC(=O)CSc2nnc(-c3cccs3)n2C)s1
+,,,,,,,,,,,,,0.0,,,,CID16195466,NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccsc2[N+](=O)[O-])cc1
+0.0,,0.0,,0.0,,,,,,,0.0,,,,,0.0,CID2567776,Cn1c(COc2ccc(Cl)cc2)nnc1SCc1ncc(-c2ccccc2)o1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID5310464,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCc1ccc2c(c1)OCO2
+0.0,,,,,,,,0.0,,,,,,,,,CID3239839,CCOC(=O)c1[nH]c(C)c(C(=O)NCCCOC(C)C)c1C
+,,,,,,,,,,,0.0,,,0.0,,,CID1007795,Cc1ccc(C)c(N(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID867843,CNC(=S)NCCc1ccc(OC)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID718241,CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2999018,Cc1nn(C)c(N)c1C(O)(c1nccn1C)C(F)(F)F
+0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,0.0,CID2220463,O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccc(Cl)cc12
+,,,,,,,0.0,,,,,,,,,,CID5309037,CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID1582896,COc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCC3)cc1OC
+,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,0.0,CID652262,Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)c1
+,,,,,,,,,,,,,,,0.0,,CID5308276,COc1ccc(N(CC(=O)NCc2ccccc2OC)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID3243934,COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1
+,,,,,,,,,0.0,,,,,,,,CID3962160,CCCN(C(=O)Cc1nc(N)n[nH]1)C1(C(=O)Nc2ccccc2C)CCCCC1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID1292236,Cc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1
+0.0,,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,CID667323,COc1ccccc1-c1nn2c(C3COc4ccccc4O3)nnc2s1
+,,,,,,,0.0,,,0.0,,,,,,,CID2078589,CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID647042,COCCn1c(COc2cccc(OC)c2)nnc1SCC(=O)N1CCOCC1
+,,,0.0,,,,,,0.0,,,,,,,,CID650115,CCOc1ccc2nc(NCCNC(=O)CC)c(C#N)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID787591,COc1cccc(NC(=O)CSCC(=O)O)c1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID2613812,CCOc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)on1
+,,,,,,,,,,,0.0,,,,,,CID3149552,CCC(C)NC(=O)C(=O)NCc1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID1741685,Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN(C)C)cc1
+0.0,,0.0,,,,,,0.0,,0.0,,0.0,,,,,CID380185,O=C(CCN1CCN(CCC(=O)c2ccccc2)CC1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1533874,CN(C)C1N(C(=O)c2ccc(Br)cc2)N=C2c3ccccc3S(=O)(=O)N21
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID644728,Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)NC1CCCc2ccccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID2030485,Cc1ccc(C(=O)Nc2c(-c3cccs3)c(=O)c3ccccc3n2C)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID3142363,COc1ccc(CN2CCOCC2)cc1Br
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID3241377,CS(=O)(=O)N1CCC(c2noc(-c3ccc(C(F)(F)F)cc3)n2)CC1
+,,,,,,,,,,,,,,0.0,,,CID7207376,O=C(CSc1ccc(-c2cccnc2)nn1)N1CCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2941196,NC(=O)C1(N2CCCCC2)CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2117178,CC(C)(C)NC(=O)NC(=O)COc1ccccn1
+,,,0.0,,,,,,,,,,,,,,CID976139,Cc1c(=O)n(OCc2ccccc2F)c2ccccc2[n+]1[O-]
+,0.0,,,,,,,,,,,,,,,,CID1245321,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1cc(C)on1
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID4661814,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN(C)C)o1
+,,,,,,,,,,,,,,0.0,,,CID2937547,O=C(NCc1ccco1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
+,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID2215913,CCC(=O)c1ccccc1OCCCN1C(=O)NC(C)(C)C1=O
+,,,,,,,,,,,,,0.0,,,,CID3130063,N/C(=N\OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID691731,CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc32)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID659848,COC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID3692050,CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1
+0.0,,,,,,,,,,,,0.0,0.0,,0.0,,CID648957,CC1Cc2ccccc2N1C(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2
+,,,0.0,,,,,,,,,,,,,,CID654743,COc1ccccc1NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID2998319,COc1ccc(Cc2nnc3n2N=C(c2cc4ccccc4o2)CS3)cc1OC
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID664252,COc1ccc(C(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID759527,CSc1ccccc1NC(=O)COc1ccc(Cl)cc1C
+0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,CID651462,CCOC(=O)c1cccc(NC(=O)CN2CCN(c3ccc(OC)cc3)CC2)c1
+,,,0.0,,,,,,,,0.0,,,,,,CID647601,Cn1c(-c2ccc3c(c2)OCO3)cnc1N
+,,,,,,,,,1.0,,,,,,,,CID2123919,O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc2ccccc2c1
+,0.0,,,0.0,,,,,,,0.0,,,,,0.0,CID894226,CC(C)Cn1c(CCC(=O)O)ccc1-c1cccs1
+,,,,,,,,,0.0,,,0.0,,,,,CID2998546,COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)CC2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310380,Cc1cccc(-n2c(=O)cc(N3CCN(c4ccc(F)cc4)CC3)[nH]c2=O)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID700657,CCc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID6106925,N#Cc1ccc(/C=C2\NC(=S)N(CCCn3ccnc3)C2=O)cc1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID750317,CC1(C)Cc2c(C#N)c(N)sc(=S)c2CO1
+,,,,,,,,,,,,,,0.0,,,CID647152,CCCCCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,0.0,,,,,,,,,,,,0.0,CID3241584,FC(F)(F)c1cc(-c2cccs2)nc(NCc2ccco2)n1
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID774190,COc1ccc(CNC2=CC(=O)CC(C)(C)C2)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID1402124,CCCc1cc(=O)n2c(nc3ccccc32)[nH]1
+0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,0.0,CID645054,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2cc(C)ccc2[nH]c1=O
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID1570036,O=C(CCCOc1ccccc1)Nc1nccs1
+,,0.0,,,,,0.0,,,,,0.0,,0.0,,,CID3245123,CN(C(=O)c1coc(=O)c2ccccc12)c1ccc(F)cc1
+,,,,,,,,0.0,,,,,,,,,CID2574204,CCOc1ncccc1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,0.0,,,0.0,,0.0,,,,,0.0,,,0.0,,CID660850,CCCCc1n[nH]c2c1C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,0.0,,,,CID1933039,COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID5307916,Cc1cc(C)cc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)noc2C)c1
+,,,,,0.0,,,,,,,,,,,,CID5344144,CC(C(=O)O)N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID709425,CC(=O)c1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
+,,,,,,,,,,0.0,,,,,,0.0,CID779939,CCn1c(O)cc(=O)nc1SCC(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID4070619,CCOc1ccc(NC(=O)NC(=O)N(C(C)C)S(C)(=O)=O)cc1
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID1306673,O=c1c2c3c(sc2nc2sc(CN4CCOCC4)cn12)CCCC3
+,,,,,,,,,0.0,0.0,,,,,,,CID986233,CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(C)cc2)c1NCc1ccccc1
+,0.0,,,,,,,,,,,0.0,,,,,CID650206,CCn1c(O)c(C(=O)NCc2cccnc2)c(=O)c2ccccc21
+,,,,,,0.0,,,,,,,,,,,CID5308234,CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O
+,,,0.0,,,,,,,,,,,,,,CID3242568,CCc1n[nH]c(=O)c2cc3occc3n12
+,,,,,,,,,0.0,,,,,,,,CID2836718,CCN(CC)C(=O)C1CC(=O)OC12CCCCC2
+,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,CID2956344,Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,0.0,,0.0,,,CID5307883,CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)NCCCN3CCCC3=O)cc21
+,,,,,,,,,,,,,0.0,,,,CID4694793,O=C(Oc1ccccc1N1C(=O)C2CCCCC2C1=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID872504,COc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2212017,O=S(=O)(c1ccc(NC(=S)NCCc2ccccc2)cc1)N1CCOCC1
+0.0,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,CID665822,O=C(Nc1nnc(COc2ccccc2)s1)c1ccco1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID3242266,CCN(CC)CCCNC(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12
+,,,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,CID973400,C=CCn1nnnc1SCC(=O)Nc1ccccc1C(=O)OC
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID549251,O=C1NCCCc2c1no[n+]2[O-]
+,,,,,,,,,,,,,0.0,,,,CID2216525,CC(C)(C)c1ccc(OCCOCCn2cnc3ccccc3c2=O)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID2999516,CC(c1nnc(SCn2nnc3ccccc3c2=O)n1-c1ccc(Cl)cc1)N(C)C
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID923095,CCc1c(O)n(-c2ccccc2F)c(SCC(N)=O)nc1=O
+,,,,,,,,,,,,,0.0,,,,CID833919,Cc1cc(NC(=S)NC(=O)CC(C)C)ccc1Br
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID1021370,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1OC
+,,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,CID2533046,COc1cc(NC(=O)CSc2nc(C)cs2)cc(OC)c1
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID653070,CCOC(=O)CNC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID832440,Cc1cc(C)c(OCC(=O)N/N=C/c2ccco2)c(C)c1
+,,,,0.0,,0.0,,,,,,,,,,,CID3239449,Cc1ccc(-c2noc(CCC(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID872141,CCOC(=O)c1ccc(N/C=C/C(=O)c2cccs2)cc1
+,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID2999283,CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1ccco1
+0.0,,,,,,,,,,,,,,,,0.0,CID674163,O=c1[nH]c(=O)n(CCOc2ccc(Cl)cc2)cc1Br
+,0.0,,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,,CID659596,Nc1nonc1OCCc1ccccc1
+0.0,,0.0,,,,,,,,,,,,,,,CID1250940,COc1ccc(-c2noc(CSc3nnc(CCc4ccccc4)n3-c3ccccc3)n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2387934,Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=O
+,,,,,,,,,,,,,,0.0,,,CID804553,Cc1ccn2c(C(=O)N/N=C/c3ccc4c(c3)OCO4)c(C)nc2c1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID867648,COc1cccc(-n2cnc3cccc(N)c32)c1
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,,CID662313,CC(C)C(NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID708775,Cn1nnnc1SCc1cn2cccnc2n1
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID2931007,CC1Cc2ccccc2N1C(=O)CSc1nnc2sc3ccccc3n12
+,,,,,0.0,,,,,,,,,,,,CID11958453,COc1ccc(OC)c(Nc2nc(-c3sc(NC(=O)C(C)(C)C)nc3C)cs2)c1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID1257632,COC(=O)c1ccccc1NC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1
+,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID2105230,Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NCc2ccco2)cc1
+,,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,CID1984010,O=C(OCC#CCSc1nc2ccccc2s1)c1ccco1
+0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,,0.0,CID866966,Cc1ccc(-n2[nH]cc3c(=O)nc(SC(C)C)nc2-3)cc1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID2912806,O=C(Nc1sc2c(c1C(=O)NCC1CCCO1)CCCC2)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID16189561,COC(=O)CCC(=O)N1CCCC(CNS(=O)(=O)c2ccc(OC)cc2)C1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID660489,O=C(O)c1oc2ccc(Br)cc2c1-n1cccc1
+,,,,,0.0,,,,,,,,,,,,CID675944,O=C(COc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1F
+,,,,,,,,,,,,0.0,,,0.0,,CID3241195,CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCN(C)CCc1ccccc1)cn2C
+,,,,,0.0,,,,,0.0,,,,,,,CID1262873,CN1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID1228660,Cc1cc(SCC(=O)c2ccc3c(c2)OCO3)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1367298,O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccco1
+,,,,,,,0.0,,,0.0,,,,,,,CID3242584,Cn1c(C(=O)NCCC2=CCCCC2)cc2c(=O)n3ccccc3nc21
+,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,0.0,CID3238636,CCN1C(=O)CSc2ccc(C(=O)NCCCN3CCOCC3)cc21
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID655014,Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)s1
+,,,,,,,,0.0,,,,,,,,,CID2063877,CC(C)Cc1cc(C(=O)O)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID1358597,CC(=O)NN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S
+,0.0,0.0,,,0.0,,0.0,,,,,,,,,,CID3242709,Cc1cc(C)n2nc(CC(=O)NC3CCCCCC3)nc2n1
+,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,CID1129966,O=C(CC1c2ccccc2Oc2ccccc21)N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2493464,Cc1ccc2nc(SCc3nnc(-c4ccccc4Br)o3)[nH]c2c1
+0.0,,,,,,,,,,,,,,,,,CID5293674,O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID655035,Cc1ccc(N(CC(N)=O)C2SC(=O)N(C)C2=O)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID5738658,CC1CCCN(CC(=O)C(C#N)=C2Nc3ccccc3N2)C1
+,,,,,,,,,,,,,,,0.0,,CID3241360,COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2)c1C(=O)OC
+,,,,,,,,,,,0.0,,,0.0,,,CID715594,Cc1ccc(C(C)C)c(OCc2nc(-c3nonc3N)no2)c1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID666558,COc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID3239759,CCCCN(CC)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
+,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID658432,CCc1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1
+,,,,,,,0.0,,,,,,0.0,,,,CID5389092,CCC(Nc1ccccc1NC(C)=O)=C1C(=O)N(C)C(=O)N(C)C1=O
+,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,CID5307617,Cc1cc(C(=O)N2CCOCC2)n(-c2ccccc2)n1
+,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID1265467,Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1430157,CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
+,,,,,,,0.0,,,,,,,,,,CID888605,O=C1c2cccnc2C(=O)N1c1ccccc1-c1ccccc1
+0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,,0.0,CID3237595,Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCCCCC3)ccc21
+,,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID663155,CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccco2)n1N
+,,,,,,,,,,,,,0.0,,,,CID368752,COC(=O)C1CC(c2ccc(Cl)cc2)=NO1
+0.0,,,,0.0,,,,,0.0,,,0.0,,0.0,,,CID3238860,CCN1CCN(c2ncnc3sc(C(=O)Nc4ccccc4F)c(C)c23)CC1
+,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,CID3237488,COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1
+,,,,,0.0,,,0.0,,,,,,,0.0,,CID135005,c1ccc(-c2nc3ccccc3o2)nc1
+,,,,,,,,,,,0.0,,,,,,CID2260437,CC(NCCCN(C)C)=C1C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID4880966,CCn1c(SC(C)C(=O)NC2CCCc3ccccc32)nnc1-c1cccs1
+,,,,,,0.0,,,,,,,,,,,CID665186,CCn1c(=O)c(C(C)=O)nc2ccccc21
+,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0,CID17709,O=CNc1ccccc1Oc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID5344532,O=C1/C(=C/NCc2ccncc2)Sc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID653990,CC(=O)OCCOc1nc(N(C)C)nc(N(C)C)n1
+,,,,,,,0.0,,,,,0.0,,,,,CID3239861,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
+,,,,,,,,,0.0,,,,,,,,CID2212081,O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2
+,,0.0,,,,,,,,,,,,,,,CID5389251,COc1ccc(OC)c(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccco2)c1
+,0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0,CID1300548,CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc2ccccc2c1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID4117906,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,CID2943964,CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)s1
+,,,,,,,,,,,,,,0.0,,,CID1121903,CC1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1
+,0.0,,,,,,,,0.0,,,,,,,,CID646129,Cn1c(=O)[nH]c(=O)c2c1nc(NCCCO)n2Cc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,0.0,CID3237572,Cc1cccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c1
+,,,,,0.0,,,,,,,,,,,,CID2888261,CC(=O)Oc1ccc(N2C(=O)C3CC(C)=C(C)CC3C2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID657819,CCCCCC(C(=O)O)C(C)CC(=O)NC1CCCCC1
+,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,CID2555366,Cc1cnc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)s1
+,,,,,,,0.0,,,,,,,,,,CID5389817,CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C23C(=O)N(C)c2ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID755565,O=C(O)CCCc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1147166,CCOc1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,,CID3244249,Cc1csc2nc(CNS(=O)(=O)c3cccnc3)cn12
+,,,,,,0.0,0.0,,,,,,,,,,CID5308199,CCOC(=O)C1CCCN(C(=O)Cn2ncc3c(=O)oc4ccc(C)cc4c32)C1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID646355,CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccco1
+0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID652525,O=C(c1ccc(Cl)cc1)N1CCC(c2nc(-c3cccs3)no2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16188924,Cc1ncoc1C(=O)N1CCc2c([nH]c3ccccc23)C1C(C)(C)C
+,,,,,,,,,,,,,,0.0,,,CID2121152,Cc1c(C=O)c2ccccn2c1C(=O)c1cccs1
+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID2311309,COc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2=NCCS2)cc1
+,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,CID2214653,COc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1Cl
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID646515,CCOC(=O)C(NC(C)=O)C(OC(C)=O)c1cccc(N(CCO)CCO)c1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID2155251,CCc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1
+,,,,,,,,,,,0.0,,,,,,CID1236438,CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID3235749,CCOc1cc2[nH]c(=O)n(CCCCC(=O)NC3CCCCC3)c(=O)c2cc1OCC
+,,,,,,,,0.0,,,,,,,,0.0,CID2969988,Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(Br)c2)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID5741631,CCCC1=C(C(=O)OCC)C(/C=C/c2ccccc2)N2NC=NC2=N1
+,,,,,0.0,,0.0,,,,,,,,,,CID3000017,COCc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12
+0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,,,CID666499,Cc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1
+,,,,0.0,0.0,,,,,,,0.0,,,0.0,,CID4164379,CC1CCCN(C(=O)CNC(=O)Cn2ccc3ccccc3c2=O)C1
+,,,,,,,,,,,,,0.0,,,,CID748221,Cc1cc(N2CCCCC2)nc(N)n1
+,,,,,,,,,,,0.0,,,,,,CID2811292,O=C(NCc1ccc2c(c1)OCO2)C1COc2ccccc2O1
+0.0,,0.0,,,,,0.0,0.0,,,,,,,,,CID647222,COc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCCC2)c2ccco2)cc1
+0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,CID781612,CC(=O)c1cccc(NC(=O)NC2CCCCC2)c1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3131725,COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1ccc(C)cc1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,0.0,CID1246330,Cc1noc(C)c1C(=O)NCCc1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,0.0,0.0,,,CID667201,Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)c(C)c2oc1=O
+,,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID800437,CN(C)S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1
+,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID15629,CON(C)C(=O)Nc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID769769,NC(=O)C1CCN(C(=O)CCSc2ccccc2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID646790,CC(C)n1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1173981,COc1ccccc1-n1c(-c2ccc(NS(C)(=O)=O)cc2)n[nH]c1=S
+0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID5307588,O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCn2c1nc1ccccc12
+,,,0.0,,0.0,,,,,,,,,,,,CID3242700,COc1cc(C2=NOC(C(=O)N3CCOCC3)C2)cc(OC)c1OC
+,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID3236053,CCN(CCCNC(=O)C1CCC(=O)N1C1CCCC1)c1cccc(C)c1
+,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,CID3237270,CCC(C)NC(=O)C1CCC(=O)N1Cc1ccc(C)cc1
+,,,,,,0.0,,0.0,,,,,,0.0,,,CID3240571,CCOC(=O)C1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)CC1
+,,,,,,,,0.0,,,,,,,,0.0,CID3236892,CCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
+0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID956509,O=C(CN1C(=O)COc2ccc(Cl)cc21)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1447448,S=C(NCc1ccco1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1391813,O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(Cc1ccccc1)N2
+,0.0,,,,,,,,,,,,,,,,CID2116876,CCOc1ccc(C(N)=O)cc1OC
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID666094,O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccnc2ccccc12
+,,,0.0,0.0,,0.0,,,,,,,,,,0.0,CID650043,CCC1CCC2(CC1)NC(CO)(CO)CO2
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID662178,Cc1cc(OCC(=O)NC2CCS(=O)(=O)C2)c2c3c(c(=O)oc2c1)CCC3
+,,,,,,,,0.0,,0.0,,,,,,,CID2979937,C=CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)NCc1ccccc1
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+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID3236674,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Br)o1
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+,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,CID2890313,CCC(C)NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1510434,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(CC#N)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID218286,CN1CCc2[nH]c3ccc(C(=O)NN)cc3c2C1
+,,,,,0.0,,,,,,,,,,,,CID710640,Cc1ccc2[nH]c(C)c(CN3CCN(C)CC3)c(=O)c2c1
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+,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID977203,O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ncn[nH]1
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+,,,,,,,,,,,,,0.0,,,,CID3219489,Cc1cccc2cc(CNCC3CCCO3)c(Cl)nc12
+,,,,,,,,,,,,,,0.0,,,CID971009,COc1ccc(NC(=O)Nc2ccccc2SC)c(OC)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID4517116,C=CCN1/C(=N/C(=O)CCC)SC2CS(=O)(=O)CC21
+,0.0,,,,0.0,,,,,,,,,,,,CID2856705,COc1ccc(CN2CCCC2C(=O)Nc2ccc(OC)c(OC)c2)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID3235872,COC(=O)c1cc(NC(=O)CCc2c(C)nc3ncnn3c2C)cc(C(=O)OC)c1
+,,0.0,,,,,,,,,,,,0.0,,,CID3236743,O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCC2(CC1)OCCO2
+0.0,,,,0.0,,,,,,,,,,,,,CID3237630,CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1)C(F)(F)F
+,,,,,,,,,,,,,,0.0,,,CID2128129,CCOC(=O)NC(=O)COC(=O)c1ccc(O)cc1
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+,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,CID660800,COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(-n3[nH]c(=O)c(C)c3C)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16187417,COC(=O)c1ccccc1NC(=O)N1CCN(S(C)(=O)=O)CC1
+,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,CID664960,Cc1ccc2cc(CN(C(=O)c3ccncc3)C(C)C)c(=O)[nH]c2c1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID667207,OCCNc1ncnc2c1ncn2Cc1ccccc1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID2877673,CCCC(=O)N1CCN(c2ccc(C(=O)c3ccc(OC)c(Br)c3)cc2F)CC1
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+,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,,CID787516,CC(C)OC(=O)CCc1nc2ccccc2[nH]c1=O
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID667280,CCCc1cc(=O)n2[nH]c(NCc3c(Cl)cccc3Cl)nc2n1
+,0.0,,,,,,,,,,,,,,,,CID2999386,Cc1cc(C(=O)CN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c(C)n1C
+,,,,,0.0,,,,,,,,,,,,CID2274228,COCCN1C(=O)/C(=C\c2ccccc2[N+](=O)[O-])C(C(=O)OC)=C1C
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID967326,COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)c(OC)c1
+0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID648875,COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)o2)cc1
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+,,,,,,,,,0.0,,,,0.0,,,,CID4185633,CCCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
+,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID791477,COc1ccc(N/C=C2\CCOC2=O)cc1
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+0.0,,,,,,,,,,,,0.0,,,,,CID5307917,COc1cccc(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1OC
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+,,,,,,,,,,,,,,,,0.0,CID3238815,Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCC(C)C2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID658593,CC(=O)Nc1cccc2c1OCCO2
+0.0,,,,,,,,,,,,,,,0.0,,CID656179,Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccn2)N2CCN(c3ccccc3)CC2)cc1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID3240606,CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)OC)cc12
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5389949,CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)C3c3ccco3)ccc2O1
+,,,,,,,,0.0,,,,,,,,,CID1867540,CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCC(C)CC1
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+,,,,,0.0,,,,,,,0.0,,,,0.0,CID665952,CCCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID9551103,CCN(CC)C(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
+,,,,,0.0,,,,,,,,,,,,CID2265921,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)N1CCCC1
+,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,CID660719,Cc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)o1
+,,,,,,,,,,0.0,,,,0.0,,,CID5309832,Cc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2536033,CCCSc1nnc(Sc2nnnn2-c2ccccc2)s1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID695697,COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1
+,,,,,,,,,,0.0,,,,,,,CID9550979,COc1ccc(C2=NOC(C(=O)Nc3cc(C)on3)C2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1941989,O=C(O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1
+0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,CID720934,c1coc(CNc2c3c(nc4ccccc24)CCC3)c1
+,0.0,,,,,,,,,,0.0,,,,,,CID2950623,COc1nc(NCC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
+,,,0.0,,,,,,,,,0.0,0.0,,,,CID935388,CCOC(=O)c1cnc2nc(Cc3ccccc3)[nH]n2c1=O
+,,,,,,,,,,,,,,,,0.0,CID659481,Cc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)o1
+,,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,CID655001,CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1478498,CN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1
+,,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,,CID1071005,CCOC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
+0.0,,,,,,,,,,,0.0,0.0,,,,,CID664449,CCOc1ccc(N2CC(O)Cn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID1975787,CCOC(=O)CNC(=O)c1cnn2cccnc12
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID664247,CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1cccs1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID993364,CCOC(=O)N1CCN(c2nc(C(F)(F)F)nc3c(C)cc(C)cc23)CC1
+,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,CID40146,Cc1cc(C)cc(C(=O)NCc2ccncc2)c1
+,,,,,,,,,,,,,0.0,,,,CID5206222,C/C(=N\OCc1ccc(C#N)cc1)c1ccccc1
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID3245547,CCOc1ccc(N2Cc3ncccc3C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3219004,COc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(c3ncccn3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1003697,Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1
+,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID653491,CN(C)CCCN(C(=O)c1cccs1)c1nc(-c2ccccc2)cs1
+,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,CID730698,O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccs1
+,,,,,,0.0,,,,,,,,,0.0,,CID5309763,COc1cccc(C2C(C(N)=O)=C(C)N=C3N=C(CCCO)NN32)c1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID667361,COc1ccc(C2NC(=O)c3ccccc3O2)c(OC)c1OC
+,,,,,,,0.0,,,,0.0,,0.0,,0.0,0.0,CID5308426,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1ccc(F)cc1)O2
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID1245418,COc1ccccc1CCNC(=O)c1ccc(C)o1
+,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID3236869,Cc1nn(-c2ccccc2)c2c1C(c1c(C)[nH]c(C#N)c1C)C(C#N)=C(N)O2
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3237663,Cc1cccc2sc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)nc12
+,,,,,,,,,0.0,,0.0,,,,,,CID794995,O=C(Nc1ccc(O)cc1)c1ncn[nH]1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID2948212,O=C(Nc1ccon1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID5719122,O=C(NN/C=C1/C=CC=N1)c1cccc([N+](=O)[O-])c1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2998330,COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
+,,,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,CID664452,CC1(C)Cc2c(c(-c3ccco3)nc3n[nH]c(N)c23)CO1
+,,,,,,,,,0.0,,,,,,,,CID9550455,Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2)nc1
+,0.0,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID651350,CC(=O)Nc1cc2c(cc1NC(=O)c1cnccn1)OCCO2
+0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID2243196,O=C(CSc1nnc2ccccn12)c1ccc2c(c1)OCCO2
+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID1120126,COc1cc(C(=O)Nc2nccs2)c(Br)c(OC)c1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID851323,Cc1cc(C)nc(SCCC(=O)Nc2ccccc2)n1
+0.0,1.0,0.0,1.0,0.0,,0.0,,0.0,,,,,0.0,,,,CID1245524,O=C(Cc1cccs1)Nc1nnc(-c2ccncc2)s1
+,,,,,,,,,,,,,0.0,,,,CID3521138,COc1ccc(CC(=O)N2N=C(C)CC2(O)c2cccnc2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID742984,CCc1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21
+0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,,,CID1078543,CCOC(=O)C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2118143,CCN(CC)CCn1c(N)cc(=O)[nH]c1=O
+0.0,0.0,,,,,,,,0.0,0.0,,,,,,,CID653202,Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(F)cc2)n(C)c1=O
+,,,0.0,,,,,,,,,,,,0.0,,CID657466,CCCOc1ccccc1C(=O)NCCCC(=O)O
+,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,CID1049305,COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
+,,,,,,,0.0,,,,,,,,,,CID161930,O=C1NC(c2cccc([N+](=O)[O-])c2)=CCN1c1ccccc1O
+,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,CID2193374,CCCCN1C(=O)c2ccc(C(=O)Nc3cccnc3)cc2C1=O
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2196321,O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,0.0,,,CID1087687,CCOc1cccc(CNn2cnnc2)c1OCc1ccccc1Cl
+,0.0,,,,,,,,,,,,,,,,CID4163325,CCCCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID950592,Cc1c(C)n(C)c2ccc([N+](=O)[O-])cc12
+,,,,,,,0.0,,0.0,,,0.0,0.0,,0.0,,CID653036,CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID2971667,COc1ccc(NC2CC(=O)N(c3cccc(C)c3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1236013,Cc1nn(C)c(C(=O)N2CCOCC2)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID2357762,O=C1OCC(c2ccccc2)=C1c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID1374047,Cc1cc2ccccc2n2c(SCC(=O)N3CCc4ccccc4C3)nnc12
+,,,,0.0,,,,,,,,,,,,,CID656313,O=C(O)CS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)CC(=O)O)cc2)cc1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID3159504,CC(C)(C)c1ccc(-c2noc(CCC(=O)NCC3CCCO3)n2)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID666297,C=CCn1c(NCCOC)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,,,,,,,,,,,,0.0,,CID534510,CCCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1
+,,,,,,,0.0,,,,,0.0,,,,,CID5310646,O=C(O)CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,,CID661239,CCOC(=O)CC(/C(C)=N/O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5260635,CCCc1nc2cc(CC(=O)OC)ccc2o1
+,,,,,,,,,,,,,0.0,,,,CID1261460,COc1ccccc1CCNC(=O)c1cc(-c2ccncc2)nc2ccc(Br)cc12
+,,0.0,,0.0,,0.0,,,,,,,,,0.0,,CID3238251,CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(OC)c3)N2C1=O
+,,,,,0.0,,,,,,,,,,,,CID3240641,Cn1c2ccccc2c2cnn(CC(=O)O)c(=O)c21
+,,,,,,,,,,0.0,,,,,,,CID2982420,COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)Cc1ccccc1
+,,,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,CID2669338,O=C(Oc1ccc2c(c1)OCO2)c1ccncc1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID2850389,COc1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccccc1
+,,,,0.0,,,,,,,0.0,,,,0.0,,CID3241502,CCCCNC(=O)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID6408843,COc1ccc(C(=O)Sc2nncc3ccccc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1946186,CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1-c1ccc(F)cc1
+,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,CID1253844,COc1ccc(C(=O)NCCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,,CID943085,c1ccc(-n2ncc3c2ncn2cnnc32)cc1
+,,,,,,,0.0,,,,,,,,1.0,,CID2224414,CCOc1cc(C(=O)NCCOC)ccc1OC
+,,0.0,,,,,,0.0,0.0,,,0.0,,,,,CID645992,Cc1cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)oc2cc1C
+,,,,,,,,,,0.0,,,,,,,CID3222562,CCC(C)(C)NC(=O)C(c1ccccc1)N(Cc1cccnc1)C(=O)c1csnn1
+,,,,,,,,,0.0,,,,,,,,CID3210817,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(F)cc2)no1
+,,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID1564102,O=C(O)CCCNS(=O)(=O)c1cccs1
+,,,,,,0.0,,,0.0,,,,0.0,,,,CID671261,CCOc1ccc(N2CC(=O)SC2=S)cc1
+,,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID800921,COc1ccccc1OCC(=O)NC1CCCCCC1
+,,,,,,,0.0,,,,,,,,,,CID3241756,CCCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2426511,Cc1cc(=O)n2c(sc3ccccc32)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID5347020,COc1ccccc1-n1cnc2[nH]cnc(=O)c21
+,,,,,,,,,0.0,,,0.0,,,,,CID2906540,C=CCSC1=NC(N)=C(C#N)C2(CCCCC2)C1C(N)=O
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID2998571,O=C(COc1ccccc1)NCC(c1cccs1)N1CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2318003,Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccncc2)o1
+,0.0,,,,,,,0.0,,,,0.0,0.0,,0.0,,CID666706,COCCN1CCn2c(nc3cc(NC(=O)NC4CCCCC4)ccc32)C1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID2579441,COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID9550201,COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OC)cc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1181429,COc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3232222,COc1ccccc1C(=O)NCC1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3242772,C=CCNS(=O)(=O)c1cccc2cc(C(=O)O)c(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID705583,COC(=O)c1cccc(CSc2nc3ccccc3[nH]2)c1
+,,,,,,,0.0,,,,,,,,,,CID3243781,CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1OC
+,,,,,,,,,,,,,,0.0,,,CID801538,Cc1cc(C=O)c(C)n1-c1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,,CID1744854,CS(=O)(=O)NCCCc1ccccc1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID5742478,COC1=C/C(=C/C=C2/NC(=O)C(C)(C)O2)C=CC1=O
+,,,,,,0.0,,,,,,,0.0,,,,CID647394,O=C(NCC(=O)N(c1ccc2c(c1)OCO2)C(C(=O)NC1CCCC1)c1ccncc1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2504079,Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1459260,COc1cc2cc(CN(CCO)C(=O)c3cccs3)c(=O)[nH]c2cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2889981,COc1ccc(Cl)cc1C(=O)Nc1cccc2nsnc12
+,,,,,,,,,,,0.0,,,,,,CID1947513,CCCCOC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21
+0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID974361,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc2nsnc12
+,0.0,,,,,,,,,,,,,,,,CID4971246,Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
+,,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID869161,CCN(C(=O)c1sc(N)c(C#N)c1C)C1CCCCC1
+0.0,,,,,,,,,,,,,,,0.0,,CID4324636,O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID645982,CN(C(=O)c1ccncc1)c1nnc(-c2ccncc2)s1
+,,,,,,,,,,,,,0.0,,,,CID1022762,CCOC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C)c1CC
+,,,,0.0,,,,,0.0,,,,,,,,CID741615,CSc1nc2c(ccc3ccccc32)o1
+,0.0,,,,,,0.0,,0.0,,,,0.0,,0.0,,CID565184,COc1ccc(NC(=O)c2ccco2)c(OC)c1
+,,,,,,,,,,,,0.0,,,,0.0,CID3242901,COCCNC(=O)C1CCCN(c2nn3c(=O)cc(C)nc3s2)C1
+,,,,,,,,,,0.0,,,,,,,CID3196322,CCC(C)(C)NC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
+,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID2997421,COc1ccc(CN2CCNC(=O)C2CC(=O)O)c(OC)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID3220716,O=C(NC1CCCCC1)NC1CC2CCC(C1)N2Cc1nnnn1Cc1ccc2c(c1)OCO2
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID3241382,O=C(Nc1ccc2c(c1)OCCO2)c1cnc2ccccn2c1=O
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID2791388,COc1ccc(Nc2nc(=O)[nH]nc2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2937280,O=C(Nc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)c1ccccc1
+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID1245602,CCc1sc(C(=O)NCc2cc(C)n(C)n2)cc1Br
+,,,,,,,,0.0,,,0.0,,,,,,CID2765193,O=C(O)c1sccc1Oc1ccccc1[N+](=O)[O-]
+,,0.0,,,,,,,,,,0.0,,,,,CID1631471,CC1CCN(C(=O)CN2C(=O)C(=O)c3ccccc32)CC1
+,,,,,,,,,,,,,,0.0,,,CID1147433,Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,,,,,,,0.0,0.0,CID662999,CSc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID711581,COc1ccccc1NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID584960,O=C(NC12CC3CC(CC(C3)C1)C2)c1ccccc1O
+,,0.0,,,,,,,,,,,,,,,CID3240741,COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cc(OC)c(OC)c(OC)c4)n3)cc2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2438953,Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5013621,CC(Oc1ccc(F)cc1)C(=O)NN
+,,,,,,,0.0,,,,,,,,,,CID661244,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cc(OC)c(OC)c(OC)c1
+0.0,,,,,,0.0,,,,,,0.0,,0.0,,,CID647017,O=C(Nc1cccc(Cl)c1Cl)C1CCN(c2ncccn2)CC1
+,,,0.0,,,,,,,,,,,,,,CID2225336,COc1ccccc1C(=O)NCCCN1CCCC1=O
+0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,CID644784,O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1
+0.0,,0.0,,0.0,,,,,,,,,0.0,,,,CID2092555,Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1
+0.0,0.0,,1.0,0.0,,,,,,,0.0,0.0,,,,,CID851257,O=C(CSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl
+,,,,,,0.0,0.0,,,,,,,,,,CID2788214,CCOC(=O)c1ccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1453739,Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID886561,O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccccc1Cl
+,,,,0.0,,,,,,,,0.0,,,,,CID661469,CCC(=O)Nc1cccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID3244132,Cc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1
+,0.0,,,,,,,,0.0,0.0,,0.0,,,,0.0,CID664340,CCc1ccc2oc(=O)cc(CN3CCOCC3)c2c1
+,,,,,,,,,,,0.0,,,,,,CID658208,CCCc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2
+,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,CID649749,CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3)noc2C)c1
+,,,,,,,,,,0.0,,,,,,,CID1989955,CCOc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID1476756,COc1ccc(Cn2cc(C(=O)O)c(=O)c3ccccc32)cc1
+,,,0.0,,,,,,,,,,,0.0,,,CID5309804,Cc1cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2C)no1
+,,,,,,,,,,,,,,0.0,,,CID2928823,Cc1ccc(NC(=O)c2cc(N3C(=O)C4CC=CCC4C3=O)ccc2N2CCCCC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5309883,CCCSCCCNC(=O)Cn1cc2c(n1)CCCCC2
+,,,,0.0,,,,,,,,0.0,,,,,CID1246498,COC(=O)Nc1nc2c(C)cccc2s1
+,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,CID3237350,COC(=O)NCc1ccc(CNC(=O)OC)cc1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID644527,CC(=O)Nc1ccc2oc(-c3ccccc3Br)nc2c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2947224,COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)c(C)c2)C1
+,,0.0,,,,,,,,,,,,,,,CID647336,O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1
+,,,,,,,,,,,,,,,0.0,0.0,CID2938153,CCc1nnc(NS(=O)(=O)c2ccc(N3C(=O)C4CC=C(Cl)CC4C3=O)cc2)s1
+,,,,,,,,,,,0.0,,,,,,CID1484288,Nc1nc(Cl)cc(N2CCOCC2)n1
+,,,,,,,,,,,,,,,0.0,,CID2920900,CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(OC1=O)C2(C)C
+,,,,,,,,,0.0,,,,,,,,CID2308267,Cc1ccc(S(=O)(=O)c2c(N)n(CCCO)c3nc4ccccc4nc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID1152505,Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1C
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID1269686,CCN(CC)C(=O)c1ccc(COc2ccccc2Br)o1
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID851527,O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccco1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,CID645499,COC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID716134,COc1ccc(Nc2nc(=O)cc(C)[nH]2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID654215,O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID753177,CN(Cc1cnn(C)c1)C(=O)c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID833411,Cc1cccc(OCC(=O)NC(=S)N2CCCc3ccccc32)c1
+,,,,,,,,,,,,0.0,,,,,CID5309825,CCN1CCN(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID1951290,COCCNc1c2c(nc3c(-c4ccccc4)c(C)nn13)CCCC2
+,,,,,,,,,,,,0.0,,,,,CID3162458,COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c(=O)n3C)c1OC
+,,,,,,,,,0.0,,,,,,,,CID1736076,CC(/C=C/c1cccs1)=C\C(=O)O
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID652949,CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccc(Cl)cc2)n(C)c1=O
+,,,0.0,,,0.0,,,,,,,0.0,,0.0,,CID2862450,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,0.0,,,,,,,CID4894105,Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)C2CCS(=O)(=O)C2)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID674827,COC(=O)c1ccccc1NC(=O)Cn1ccnc1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID653299,CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(C(C)C)cc1
+0.0,0.0,,,,,1.0,0.0,,,,,,,,,,CID2264736,CCCCC1CCC(c2nc(-c3ccccn3)no2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID2234525,COC(=O)c1ccc(Oc2nc(Nc3ccc(C)c(C)c3)nc(N(C)C)n2)cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,0.0,CID2915307,CC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3229419,CCOCCCNc1nc(C)nc2c1nnn2Cc1c(F)cccc1Cl
+,0.0,,,,,,,0.0,,,0.0,0.0,0.0,,,,CID718720,COc1nc(NCCC2=CCCCC2)nc(OC)n1
+,,,,,,,,,,,,,0.0,,,,CID2927339,CC(C(=O)N1CCCc2ccccc21)N1C(=O)c2ccccc2C1=O
+,0.0,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,CID645495,CC(C)c1nnc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)s1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1208310,CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2=O
+,,,,,,,,0.0,,,,,,,0.0,,CID854732,Cc1coc2cc3oc(=O)c4c(c3cc12)CCC4
+,,,,,,,,,,,,,,0.0,,,CID3518695,COC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2165059,CCN(CC)CCCNS(=O)(=O)c1ccc(OC)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID660169,CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2646355,COc1ccc(CCNC(=O)CSc2ccccn2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID721015,CCOC(=O)c1ccc(Nc2ncnc3ccc(C)cc23)cc1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,,,CID2226541,O=C(Nc1cccc(Cl)c1)c1cnn2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID1442450,CC(C)(C)c1nc(SCC(=O)NCc2cccs2)c2ccccc2n1
+,,,,,0.0,,,,,,,,,,,,CID4561434,COc1cc(C2C3=C(CCCC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)ccc1O
+0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0,0.0,CID3244914,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID1254062,c1ccc(CCc2ccccc2-c2nc(-c3ccccn3)no2)cc1
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID2882451,CCC(CO)N/C=C1\C(=O)CCC(C(=O)c2ccccc2)C1=O
+,,,0.0,,,0.0,,,,,,,,,,,CID974898,O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccn2)no1
+0.0,,,0.0,,,,,,,,,,,,,,CID3239563,O=C1CCCN1CN(C(=O)c1ccccc1)c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2883263,CC(NC(=O)C(=O)NCC1CCCO1)c1ccccc1
+,,,,,,,,0.0,0.0,,,,,,,,CID705839,COc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2108496,Cc1csc(SCC(=O)NCc2ccccc2)n1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,CID777857,O=CN1CCC(=O)N(Cc2ccccc2)c2ccccc21
+,,,,,,,0.0,,,0.0,,,,0.0,,,CID653866,CN1CCN(C2=C(Cl)C(=O)N(CCc3ccccc3)C2=O)CC1
+,,,,,,0.0,,0.0,,,,,,,,,CID838654,NC(=O)CSCc1ccc(Br)cc1
+0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,CID3239521,COc1ccccc1-c1c(C)nn2c(N3CCC4(CC3)OCCO4)cc(C)nc12
+,,,,0.0,,0.0,,,,,,,,,,,CID3243575,CC(C)CC(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1
+,,,,,,,,,0.0,,,,,,,,CID2330209,CCOCCCNC(=O)COc1ccc(OC)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID3235664,O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
+,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID649976,CC(=O)N(c1cccc(C)c1)C1SC(=O)N(c2ccccc2)C1=O
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1941859,CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2957568,COc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)cc1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID646092,OCCCCNc1cccc2ccccc12
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+,,,,0.0,,,,,,,,,,,,,CID802441,COC(=O)c1sc2nc3c(cc2c1N)COC(C)(C)C3
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+,,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID2155306,COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SCC3)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2378273,CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21
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+,,,,,,,,,,0.0,,,,,,,CID2524729,Cc1cccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)Cc2ccco2)c1
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+,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,,CID5389012,CC(C)(C)c1ccc(/C([O-])=C/[N+]#N)cc1
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+,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID650555,Cc1ccc(Cn2c(Sc3nccc(C)n3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID660446,CC(C)/N=C(\NC#N)SCc1ccc(F)cc1
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+,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID1245136,O=C(Nn1cnnc1)c1cc2c(s1)CCCCC2
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+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID644704,Cc1ccc(C(=O)Nc2ccc(Cl)cn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1084360,CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccc(N4C(=O)CCC4=O)cc3)cc12
+,,,,,,,,,,,,,0.0,,,,CID739396,Cc1nonc1C(=O)N/N=C/c1cccc(O)c1
+,,,,,,,,,,,,,0.0,,,,CID4165375,CCOC(=O)c1c(C)c(C(=O)Nc2ccc(F)cc2)c(C)n1C
+,0.0,,,,,,,,,,,,,,,,CID715190,CC(C)CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,,CID748550,[O-][n+]1c2c(nn1-c1ccccc1Cl)-c1nonc1CC2
+,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,CID3241096,O=C(NCc1cccs1)c1noc2c1CCCC2
+0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,,CID673545,CCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1
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+,,,,,,,,0.0,,,,,,0.0,,,CID728962,CCN(CC)c1ncnc2ccc(Br)cc12
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+,,,,,0.0,,,,,,,,,,,,CID2877515,Cc1ccc(C)c(C(=O)CSc2n[nH]c(-c3ccccc3)n2)c1
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+,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,CID978264,O=C(Cc1cccs1)Nc1nnc(CCc2ccccc2)s1
+,,,,,,,,,,,0.0,,,,,,CID792302,COc1ccc([N+](=O)[O-])cc1NC(=S)Nc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID666614,COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccc(Cl)cc1
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID620910,O=C1c2ccccc2NC(c2ccccn2)N1c1ccc(Cl)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID2125800,CCSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1
+,,0.0,,,,,,,,,,0.0,,,,,CID5310518,CCCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID4645481,Brc1cccc(-c2nnc3sc(CNC4CCCC4)cn23)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID734131,CCCc1ccc(OC(=O)c2cccs2)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3235926,CCOC(=O)CNC(=O)Cn1cnc2c(nnn2-c2cccc(Cl)c2)c1=O
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+,,,,,,,,,,,0.0,,,,,,CID1289319,O=C(c1ccco1)n1nc(-c2ccco2)nc1SCc1ccccc1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID661297,N#Cc1nc(COc2ccc(F)cc2)oc1N1CCC(Cc2ccccc2)CC1
+0.0,,,0.0,,0.0,,,,,,,,,,0.0,0.0,CID2437231,COC(=O)c1ccccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2838113,CCN(CC)C(=O)C1CCCN(Cc2ccccc2F)C1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID893617,CCCn1nnc(NC(=O)c2ccccc2Br)n1
+,,,,,,,,,,0.0,,,,,,,CID2235354,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID654953,COc1cc(NC(=O)CSc2nnc3n2C(C)(C)Cc2ccccc2-3)cc(OC)c1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID3245029,Clc1cccc2sc(N3CCN(c4ccccc4)CC3)nc12
+0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID2155193,Cc1ccc(-n2c(SCC(=O)NC3CCCCC3)nc3c(c2=O)SCC3)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2572860,CCOc1ncccc1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1
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+,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID666883,CCCCn1c(NCc2ccccn2)nc2ccccc21
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID739956,Cc1cccc(NC(=O)CCN2CCOCC2)c1
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+,,,,,0.0,,,,,,,,,,,,CID3715139,CN1CC(c2ccccc2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
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+,0.0,,,,,,,,0.0,,,,,,0.0,,CID5073075,Cc1nc2sc(C(c3cccs3)N3CCC(C(N)=O)CC3)c(O)n2n1
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+,,0.0,,,,0.0,,,,,,,,,,0.0,CID655637,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CC(O)COc1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID2280657,Cc1c(C(=O)NCCSCc2ccccc2)cccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID6018994,Cc1ccc(Cn2cccc2/C=C2/C(=N)N3C=CSC3=NC2=O)cc1
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+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2976257,CCn1c(CNC(=O)c2ccccc2)nc2ccccc21
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+,,,,,0.0,,,,,,0.0,,,,,,CID1090038,O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc2c(c1)OCO2
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+,,,,,,,,,0.0,,0.0,,,,,,CID758956,Cc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1
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+,,,,,0.0,,,,,,,,,0.0,,,CID3217848,Cc1ccc(NC(=S)NC2CC3CCC(C2)N3Cc2ccco2)cc1C
+,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,CID2128917,CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccccc1OC(F)F
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+0.0,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0,CID1246314,O=C(Nc1ccon1)c1sc2ccccc2c1Cl
+0.0,,0.0,,,,,,,,,,,,,,,CID653474,O=C(NC1CCCCC1)C(c1ccc(Cl)cc1)N(C(=O)c1cnccn1)c1ccc2c(c1)OCO2
+,,,,,,,0.0,,,,,,,,,0.0,CID1564644,c1ccc(-c2nc(NCCCN3CCOCC3)c3ccccc3n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID5243594,CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O
+0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID3241528,CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID854635,c1coc(-c2nc(-c3ccco3)c(-c3ccco3)nc2-c2ccco2)c1
+,,,,,,,,,0.0,,,,,,,,CID991147,COc1ccc(/N=C/C2=C(Nc3ccc(OC)cc3)c3c(C)nn(-c4ccccn4)c3CC2)cc1
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID655857,c1ccc(Cn2nnc3c(N4CCc5ccccc5C4)ncnc32)cc1
+,,,,,,,0.0,,,,,,,,,,CID2952993,O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NCC1CCCO1
+,,,,,,,0.0,,,,0.0,,,,,,CID2845646,COc1ccc(CN2CCCCC2C)c(C)c1C
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID5389223,O=C1C=CC=C/C1=C1/CC(c2ccccc2)N2NC=NC2=N1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID664144,CCC(C)C(NS(=O)(=O)c1ccc(C)cc1)C(=O)N1CCC(C(=O)NCC(=O)O)CC1
+,,,,0.0,,,,,,,,,,,,,CID3245592,Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID872546,CS(=O)(=O)N(CC(=O)O)c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2921571,CC1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID2914937,O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc2c(c1)OCO2
+,,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,,CID2980895,CCN(CC(=O)Nc1ccccc1C(=O)OC)S(=O)(=O)c1ccc(OC)cc1
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID348580,CCCc1ccc(OCC(=O)O)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID658352,COC(=O)CC1=C(C(=O)OC)C(c2ccncc2)C(C#N)=C(N)O1
+,,,,,0.0,,,,,0.0,,,,,,,CID1288186,C=CCn1c(SCc2ccc3c(c2)OCO3)nc2scc(-c3ccco3)c2c1=O
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID3246739,C=CCOc1ccccc1/C=c1\sc2nc(=O)c(C)nn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2322022,O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID585811,COc1ccccc1NC(=O)COc1ccc(C)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2195963,CCCCc1ccc(NC(=S)NCc2cccc(OC)c2)cc1
+,,0.0,,,,0.0,,0.0,0.0,,,,,,,0.0,CID652570,COc1cc(C(=O)NC2CC3CCCC(C2)N3C2CC2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2139625,O=C(CSc1nnc2ccccn12)Nc1nsc(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID779572,Cc1cccc(NC(=O)CSc2nc3ccc(C)cc3[nH]2)c1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID2375385,CCOC(=O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID1119908,CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)O)Cc2ccccc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5389822,COC1=CC(=O)/C(=C2\NNC=C2c2ccc(Cl)cc2)C=C1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID2940581,Cc1ccc(OCC(=O)n2cnnc2N)c(C)c1
+,,0.0,,,,,,,,,,,,0.0,0.0,,CID975766,COc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)c(OC)c1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID910122,C/C(=N\NC(=O)c1nc(C)cc(C)n1)c1ccccc1
+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID760631,O=C(Cn1cnc2ccccc21)N/N=C/c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID6622366,CCOC(=O)N1CCN(C(=O)C(CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2478771,Cc1ccc2c(CSc3nc4nc(C)cc(C)n4n3)cc(=O)oc2c1
+0.0,,,,,0.0,0.0,,0.0,,,,0.0,,,0.0,,CID2539963,O=C(c1ccccc1)c1ccc(Oc2ncccn2)cc1
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID663839,N#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID2953881,CC(Oc1ccccc1)C(=O)Nc1ccccc1O
+,,,,,,,,,,,,,0.0,,,,CID2405912,CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C
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+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3163776,O=C(CCn1c(=O)oc2ccccc21)Nc1nc2ccccc2s1
+,,,,,,,,,,,,,0.0,,,,CID2285512,CCOC(=O)C1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N(C)C)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID558416,COC(=O)c1ccc(NC(=O)CN2CCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2955085,CC1CN(C(=O)Nc2ccc3c(c2)OCO3)CC(C)O1
+,,,,,0.0,,,,,,,,,,,,CID2263654,Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(C)s3)C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID1474571,COc1ccc(C(=O)NN(C)c2nc(-c3ccccc3)cc(C)c2S(C)(=O)=O)cc1
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+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3242985,O=C1CN(C(=O)c2ccco2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1
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+,,,,,,,,,,,,,,0.0,,,CID4317885,Cc1ccc(Nc2nnc(SCC(=O)NC3CCS(=O)(=O)C3)s2)c(C)c1
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+,,,0.0,,0.0,,,,0.0,,,,,,0.0,,CID666265,O=C1c2ccccc2C2NC(=O)C3(CCCCC3)N12
+,0.0,0.0,0.0,,,,,,,0.0,,,,,,,CID665620,COc1ccc(CN(CCCN2CCOCC2)S(=O)(=O)N(C)C)cc1OC
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+,0.0,0.0,,,,,,,,,,,,,,,CID3238917,Cc1ccc(Cn2c(CN3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID3438303,Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)Cn1nnc(-c2ccccc2F)n1
+,,,,,,,,,,,,,0.0,0.0,,,CID737610,Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C
+,,,,0.0,,0.0,,,,,,,,,,,CID3239202,COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID828035,COc1ccc(-c2cn3ccccc3n2)cc1[N+](=O)[O-]
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID651429,Cc1cc(NC(=O)CCC(=O)N(C2CC2)C2(C(=O)NC3CCCC3)CCC(C)CC2)no1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1536281,CC1(C)S/C(=N\c2ccccc2)N(S(=O)(=O)c2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2975401,O=c1c2ccccc2[nH]c2ccc(F)cc12
+0.0,,,,1.0,,,,,,,,,,,,,CID1152528,N#Cc1c(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)sc2c1CCCC2
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+0.0,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID3241255,CC(=O)c1c(C)[nH]c(C(=O)NC2CCCCC2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID1149587,CCOC(=O)N1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID871476,Cc1ccc(NC(=O)CC(=O)NCCN2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID15995490,CCOc1ccccc1C1N=C(c2ccc(OC)cc2)CC(c2ccccc2O)N1
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+,,,0.0,0.0,,,,,,,,,,,,,CID657947,C=CCn1c(=S)[nH]c2ccccc2c1=O
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID844176,Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID2957948,O=C(Nc1ccccc1C(=O)N1CCOCC1)C1COc2ccccc2O1
+,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,CID760139,Cc1cc(-c2ccccc2)c2nncn2n1
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+,0.0,,,,,,,,0.0,,,,,,,,CID975703,CC(C)Cc1nnc(NC(=O)CSc2ncn[nH]2)s1
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+,,0.0,0.0,,,,,,,,,,,,,,CID3238719,O=C(NCCc1cn2ccccc2n1)c1ccccc1F
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+0.0,,,,,,,,,,,,,,,,,CID1259546,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCc4ccco4)c3n2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID1010410,COc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2889843,CC(CCc1ccccc1)Nc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,,,0.0,CID2918790,CC1=C(C(=O)OC(C)C)C(C2CC=CCC2)NC(=O)N1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID663477,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID2261344,O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCOCC1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID3238712,O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(c2ccccn2)CC1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID644562,CCOc1ccccc1NC(=O)N1CCC(NC(=O)c2ccccc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID784981,COc1ccc(OC)c(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID2836320,Cc1nc(C2CC(=O)OC23CCCCC3)cs1
+,,,,,,,,0.0,,,,,,,,,CID766289,O=C(Cc1ccccc1)Nc1ccccc1C(=O)O
+,,,,,,,,,0.0,,,,0.0,,,,CID979177,CC(C)(C)c1nnc2sc(SCC(=O)c3ccc(Cl)cc3)nn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1298643,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID3312295,CCC(=O)NC(O)C(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID6619676,N#Cc1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID879233,CC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
+,,,,,,,,,,,0.0,,,,,,CID9550166,CSc1ccccc1NC(=O)c1cc(C2CC2)on1
+,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,0.0,,CID681611,Cc1occc1C(=O)N1CCCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID5389256,O=C1CC(c2ccccc2)N2NC(N3C(=O)c4ccccc4C3=O)=NC2=N1
+,0.0,,,,,,,,,,,0.0,,,,,CID5307799,Cc1cc(C(=O)N2CC(C)CC(C)C2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID715553,Fc1cc(Br)ccc1NC(=S)Nc1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID903545,Cc1sc(NC(=O)c2cccs2)c(C(=O)OC(C)C)c1C
+,,,,,,,,,,,,,,0.0,,,CID626649,CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1
+,,,,,,,,,,,,,0.0,,,,CID1480194,O=C(O/N=C1\CCS(=O)(=O)c2sccc21)C1CC1
+,,,,,0.0,,,,,,,,,,,,CID2238088,O=[N+]([O-])c1ccccc1OCCCCN1CCCCC1
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID2817096,CCOC(=O)C1=C(C)NC(=O)NC1c1cccnc1
+,,0.0,,,,,,,,,,,,,,,CID906996,COC(=O)Cc1c(C)c2ccc(OCC(C)=O)c(C)c2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID3218525,CCNC(=S)N1CCC(NC(=O)c2ccco2)CC1
+,,,,0.0,0.0,,,,,0.0,,,0.0,,,,CID2052854,O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCc1ccco1
+,,,0.0,,,,,,,,,,,,,,CID716415,CC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID136420,COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1
+0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,CID4393476,O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID5063387,CC(=O)c1ccc(N2CCN(C(=O)CCN3C(=S)NC(C)(C)CC3C)CC2)cc1
+0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,,,CID3240059,O=C(Cn1ccc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,0.0,,,,,,0.0,CID650250,Cc1ccc(-c2csc(N3CCC(NS(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID763228,CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1OC
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID3244594,CCOC(=O)Nc1cc(Br)c2c(c1)OCCO2
+,,,0.0,,,0.0,,,,,,,,,,,CID644549,CC(C)OC(=O)CC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3
+,,0.0,,,,,,,,,,,,,,,CID5310544,CC1CCN(C(=O)CSc2ccc3nnc(-c4cccc(F)c4)n3n2)CC1
+0.0,,,,,,,,,,,,,,,,,CID655759,COCCN(CC(=O)NCC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,,,,0.0,CID1120528,O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1092078,Cc1cccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1139890,CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID1300404,Cc1cc(Cl)c(OCCN2C(=O)NC(C)(C)C2=O)c(Br)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID2238254,Cc1ccccc1NC(=O)Nc1ccccc1Br
+,0.0,,0.0,,,,,,0.0,,,,0.0,,,,CID877499,Cc1oc(C(=O)O)cc1COc1ccccc1Cl
+,,,,0.0,,,,,,,,,,,0.0,,CID1313295,CC(=O)Nc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1485907,O=C(c1ccccc1)c1cnc(Nc2ccccc2Cl)s1
+,,,,,,,,,,,,,,0.0,,,CID3845630,Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1cccs1)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,,,,,,,CID1364896,CCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCC)c3)cc(C(=O)O)c2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1261055,COc1cc(OC)cc(-c2nnc(SCc3cccc(C(=O)O)c3)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2442671,CCOc1ccc(S(=O)(=O)N2CCN(C(=S)NC3CC3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID650595,Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc32)c(C)c1
+,,,,,,,,,0.0,,,,,,,,CID6400927,CCCCNC(=O)N(C)c1nncnc1C(=O)NC
+,,,,,0.0,,,,,0.0,,,,,,,CID2087340,CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCCC(=O)c3ccccc3)o2)c1
+,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,CID3235655,O=C(Nc1nc(-c2ccncc2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID923600,COc1ccc(/C=C/C(=O)Nc2ccccc2)cc1OC
+,,,,,0.0,,,,,,,0.0,,,,,CID5636299,Cc1occc1C1=C(c2ccccc2)C(=C2N=c3ccccc3=N2)NN1
+0.0,,,0.0,,,,,1.0,,,,,,,,,CID5307358,COc1ccc(N2Cc3cccc(C(=O)N4CCN(C(=O)c5ccco5)CC4)c3C2=O)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3242196,O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2Cl)o1
+,,,,,0.0,,,,,,,,,,,,CID869433,COc1cc(NC(=O)c2cccc(F)c2)c(OC)cc1NC(C)=O
+,,,,,,,,,,,,,0.0,0.0,,,CID680610,CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccccc2)c1
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID31898,CN(C)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
+,,,0.0,,,,,,,,,,,,,,CID660445,COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1OC(C)=O
+,,,,,,,,,,,,,,0.0,,,CID658390,CSc1sc(C(=O)O)c2c1C(=O)CCC2
+,,,,,0.0,,,,,,,,,,0.0,0.0,CID1155485,O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2353564,O=C(COC(=O)CSc1ccc2ccccc2c1)NC1CCCC1
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID655320,Cc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1
+,,0.0,,,,,,,,,,,,,,,CID662071,COc1ccc(C2NC3=C(CCC3)C3(C#N)C(OC)(OC)N=C(N)C23C#N)cc1
+,,,,,,,,,,0.0,,,,,,,CID3230348,Cc1cc(NC(=O)C2CCCN2C(=O)Nc2c(C)cccc2C)ccc1-n1cnnn1
+,0.0,,,,,,0.0,,,,,,,,,,CID2121895,COc1ccccc1CCC(=O)Nc1nc2ccccc2[nH]1
+0.0,,,,,,,0.0,,,0.0,,,,,0.0,,CID654460,O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID760392,Cc1cc(C(=O)N/N=C/c2ccc(OCc3ccccc3)cc2)c(C)o1
+0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,CID649457,COc1ccccc1NC(=O)N(CCN(C)C)Cc1cc2cc(C)ccc2[nH]c1=O
+,,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,CID655190,COCCN(C(=O)c1csnn1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1
+,,,0.0,,0.0,,0.0,,,,,,,,0.0,,CID3240967,CCCS(=O)(=O)N1CCC(C(=O)NCc2ccco2)CC1
+,,0.0,,,,,,,,,,,,,,,CID589272,CCOC(=O)c1nnn(-c2nonc2OC)c1-c1ccccc1
+0.0,0.0,,,,,,,0.0,,,,,,,0.0,,CID3239091,Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCCCC3)CC2)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID892382,CCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
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+,,,,0.0,,,,0.0,,,,,,,,,CID1295821,O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1
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+,0.0,,0.0,,,,,,,,,,,,,,CID657262,S=C(/N=N/c1ccccc1)NNc1ccccc1
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+,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,CID2292956,O=C(NCCCNC(=O)c1ccco1)c1ccco1
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+,,,,,,,,,,,,,,0.0,,,CID2867472,O=C1C=C(NCCN2CCOCC2)CC(c2ccccc2)C1
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+,,,,,,,,,,,,,,0.0,,,CID4690628,O=C(CSc1nnc(COc2ccccc2F)n1-c1ccccc1)NC1CCS(=O)(=O)C1
+,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,CID752440,CC(C)CC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID969943,Cc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S
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+,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0,,CID2062266,CCCOc1ccccc1Nc1nc(=O)c(C)n[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1905326,O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID935238,COc1ccccc1Oc1nnnn1-c1ccc(C(N)=O)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID687490,Cc1cccn2c(=O)c(C=O)c(N3CCCCCC3)nc12
+,,,,,,,,,,,,,0.0,,,,CID1485502,O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
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+,,,,,,,,,,,,,,0.0,,,CID695731,Cc1c(-c2nc(-c3cccnc3)no2)cccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID4251978,CC(C)(C)c1ccc(C(=O)CC(Sc2ccc(Cl)cc2)C(=O)O)cc1
+,,,,,,,,,0.0,,,,,,,,CID1068732,c1ccc(N(c2ccccc2)c2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID6620639,CCC1(O)CC(C(=O)OC)=NN1C(=O)c1ccccc1
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+,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,CID2944710,CCC(Oc1ccccc1)C(=O)N1CCC(C(N)=O)CC1
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+,,,,,,0.0,0.0,,,,,,,,,,CID2092624,Oc1cc2c(cc1CN1CCN(c3ccccc3)CC1)CCC2
+,,,,,,,,,0.0,,0.0,,,,,,CID3190586,CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)cc1
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+,,,,,,0.0,0.0,,,,0.0,,,,,,CID841713,COc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1728330,CCCOc1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID2498644,Cc1ccccc1CSCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O
+,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,CID5309042,CCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)c1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2880954,CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(O)(c2ccncc2)C1
+,,,,,,,0.0,,,,,,,,,,CID5308048,CCOc1ccc(CCNC(=O)c2nnc(Cc3ccc(F)cc3)o2)cc1OCC
+,,,,,,,,,,,0.0,,,,,,CID1137240,CCn1c(SCC(=O)N2CCC(C)CC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID874094,CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2)c1C
+,,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,CID665595,O=C1CC(c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21
+,,,,,,,,,,,,,,0.0,,,CID951797,Cc1ccc(OCCn2cc(C#N)c3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2937970,CCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID777759,Cc1ccnc(NC(=O)c2ccccc2NC(=O)C(C)(C)C)c1
+,,0.0,,,,,,,,0.0,,,,0.0,0.0,,CID644435,O=C(N1CCC(O)(c2cccnc2)CC1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,,,0.0,0.0,CID1324672,COc1ccc(Br)cc1S(=O)(=O)N(CC(=O)N1CCOCC1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3241715,Cc1ccccc1CN1CCN(CC(=O)NCc2ccccc2)C1=O
+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID563092,O=C(NC1CCCCC1)C1CC(O)CN1C(=O)OCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3156003,COc1cccc(CNCCN2CCOCC2)c1OC
+,,,,,,,0.0,,,,,,,,,,CID5310814,O=C(O)C1C2C=CC3(CN(C/C=C/c4ccccc4)C(=O)C13)O2
+,,,,,,,,,,,,,0.0,0.0,,,CID1471814,O=C(Oc1ccccc1-c1csnn1)c1cccs1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID611144,COC(=O)c1cc(OC)c(OC)cc1N
+,,,,,,,,,,,,,0.0,,,,CID1244950,CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID660391,CCOC(=O)NCC(C#CCN(CC)CC)N(CC)CC
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID1245243,O=C(Nn1cnnc1)c1cc2cc(Br)ccc2oc1=O
+,,,,,,,,,,0.0,0.0,,,,,,CID1927759,CCN(CC)CC(=O)c1c[nH]c2ccc(OC)cc12
+0.0,,,,,,,,,,,,,,,,0.0,CID757597,Oc1ccc(Br)cc1CN1CCCCCCC1
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID5309290,O=C(Nc1cccc(Cl)c1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID660886,O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1C(=O)N1CCOCC1
+,,,,0.0,,,,,,,0.0,0.0,,,,,CID1257886,O=C(NCCc1ccccc1)c1cnn2c(C(F)F)cc(C3CC3)nc12
+0.0,,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,CID755432,O=C(CSc1nc(=O)c2ccccc2[nH]1)N1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID5764492,O=C(NCc1ccco1)C1=CC2=NC(c3ccc(Cl)c(Cl)c3)CC(C(F)(F)F)N2N1
+0.0,,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID2294829,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4233826,CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)Cc1cccs1
+,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,CID647590,CCC(=O)OC1CSc2nc3ccccc3n2C1
+0.0,,,0.0,,,,,,,0.0,,,,,0.0,,CID650513,Cc1ccc(-c2nsc3c(N4CCN(C(=O)c5ccco5)CC4)ncnc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID750428,Cc1cc2nc(SCc3ccccc3)nc(C)c2cc1C
+,,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID5309966,COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID16189079,CC(=O)N1CCCC(C(=O)c2ccc(Oc3ccccc3)cc2)C1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID2970589,CC1Cc2ccccc2N1C(=O)c1cccnc1
+,,,,,,,,0.0,,,,,,,0.0,,CID2881264,CCCc1[nH]nc2c1C(C1CCCCC1)C(C#N)=C(N)O2
+,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,CID1258003,COc1ccc(Cl)c(Cn2c(NCc3ccccn3)nc3c2c(=O)n(C)c(=O)n3C)c1
+,,,,,,,,,,,,,,0.0,,,CID1472842,Cc1cc2nccc(-c3ccncc3)n2n1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID667410,COc1ccc(-n2c(N3CCN(C)CC3)nc3sc4c(c3c2=O)CCCCC4)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID2998268,CC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID3239705,CSc1cccc(NC(=O)Cn2cccc2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2948031,Cc1ccc(SC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID2998043,CC1CCCCC1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID3239134,CCn1ncc(Br)c1C(=O)N(C)C12CC3CC(CC(C3)C1)C2
+,0.0,,,,,,,,,,,,,,,0.0,CID2181587,CCOc1cccc(OCCOCCN(C)Cc2ccccc2)c1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID1255616,O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccc(Br)o1
+0.0,,,,,,,,0.0,,,0.0,,,0.0,,0.0,CID653443,COC(=O)c1oc2ccc(Br)cc2c1-n1cccc1
+,,,,,0.0,,,0.0,,,,0.0,,,,,CID3241259,CCC(C)COC(=O)c1ccc(C(=O)O)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID3242784,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID1180953,Cc1cccc(N2CCN(C(=S)c3ccc(-c4ccccc4[N+](=O)[O-])o3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID742280,CCSc1nc2ccccc2n1CC(=O)Nc1ccc(F)cc1
+,,,0.0,,0.0,,,,,,,,,,0.0,,CID660524,S=c1[nH]nc(-c2ccccc2)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4343351,Cc1nnc(N/N=C/c2ccco2)n1N
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+,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0,,CID2613931,CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
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+,,,,,,,,,,,,,,0.0,,,CID2500401,CC(C)CNC(=O)COc1ccccc1[N+](=O)[O-]
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+0.0,,,,,,,,,,,,,,,,,CID2088957,COC(=O)C1CCN(C(=O)COC(=O)Cn2cnnn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID5389740,CCCN1C(=O)C2(/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCOC)c2ccccc21
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+,,,,,,,,,,,,,,,0.0,,CID5389043,CCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl
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+,,,,,,,,,,,,,,0.0,,,CID2766929,CC(C)(C)c1ccc(-n2nc(C#N)c(Cl)cc2=O)cc1
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+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID2153220,CCCCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID2303084,CCOC(=O)C1CCN(C(=O)c2cccnc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2948744,O=C1NC(=O)C(CCc2ccccn2)(Cc2ccc3c(c2)OCO3)C(=O)N1CCc1ccccc1
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+,0.0,,,,,,,,,,,,,,,,CID644421,CC(=O)OCN(C#N)c1nc(N(C)C)nc(N(C)C)n1
+,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,,CID16803,c1cncc(-c2nc3ccccc3o2)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID5389859,Cc1ccc(S(=O)(=O)NC(C)C(=O)N2CCC(C(=O)N3CCCC3C(=O)O)CC2)cc1
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+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3242087,Cc1nc2c(C(=O)NCc3ccccc3)c[nH]n2c(=O)c1Cl
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+0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2906693,O=C(CCCc1ccccc1)NCCCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID5604415,CCCOC1=N/C(=C2\C=CC=CC2=O)NC(C)=C1
+0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,CID647836,Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
+,0.0,,,,,,,,,,,,,,,,CID663387,COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCN(CCO)CC1
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+,,,,,,,,,,,,,,0.0,,,CID5672271,Cc1ccccc1N/C=C1\C(=O)N(c2nccs2)C(=O)c2ccccc21
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+,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID2947800,C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OCC)nnc1-c1sc(N)nc1C
+0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID2155831,CC1CCN(C(=O)CSc2nnc(Cc3ccccc3)o2)CC1
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+,,,,,,,,,,,,,,0.0,,,CID2037286,Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)n1
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+,0.0,,,,,,,,,,0.0,,,,,,CID665229,COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2ncccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2869337,O=C(NNC(=O)C1CCCO1)c1ccccc1Cl
+,,0.0,,,,,0.0,,,,0.0,,,0.0,,,CID653837,Cc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C
+,,,,,0.0,,,0.0,,,,,,,,,CID864464,COC(=O)CSc1cc(C)nc2ccc(OC)cc12
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+,,,,,,,,,,,,,0.0,,,,CID1323784,Cc1ccc(C(=O)COc2ccccc2N2C(=O)c3ccccc3C2=O)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID5081571,Cc1nc2sc(C(c3cccs3)N3CCN(Cc4ccccc4)CC3)c(O)n2n1
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+,,,,,0.0,,,,,,,,,,,,CID1180767,O=C(CSc1nnnn1-c1ccccc1)c1ccc(-c2ccccc2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID1246452,Cn1cc(CNC(=O)C2CCCCC2)cn1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID990603,COc1ccc(-c2c(Cl)nc(NCc3ccccc3)c(=O)n2-c2ccccc2)cc1OC
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID4394824,Cc1cccc(-n2c(CNC(=O)c3ccccc3)nnc2SCC(=O)Nc2nccs2)c1
+,,,,,,,,,,,,,0.0,,,,CID982568,CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccc(C)cc4)c23)c1
+,,,,0.0,,,,,,,,,,,,,CID2207293,O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1
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+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3120798,CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1
+,,,,,,,,,,,,,,0.0,,,CID2422930,COc1ccc(OCc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3[nH]2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3241307,Cn1c(=O)cc(SCC(=O)N2CCCC2)c2ccccc21
+0.0,,0.0,,,,,,0.0,,,,,,,,,CID2998329,CCc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
+0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,,CID662318,COc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID653959,COCCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,,0.0,,,,,,,,0.0,CID90261,O=c1cc[nH]c2c(C(F)(F)F)cccc12
+,,,,,,,,,0.0,0.0,,,,,,,CID2194745,CCc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID667218,CC(C)(C)C(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccc2c(c1)OCO2
+,0.0,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID3000039,Cc1nn2cc(-c3ccccc3)nc2s1
+,,,,,0.0,,,,,,,,,,,,CID6400950,O=C(NCc1ccccc1)/C(=N\O)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID2053788,NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID654047,Cc1[nH]c(SCC(C)C)nc(=O)c1Cc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID2999656,Cc1c(C(=O)OCC(=O)N2c3ccccc3CC2C)oc2ccccc12
+,0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,CID3969,CCCc1c(OCCCCc2nn[nH]n2)ccc(C(C)=O)c1O
+,,,,0.0,,,,,,,,,0.0,0.0,,,CID2123309,O=S(=O)(Nc1ncnc2sc3c(c12)CCC3)c1ccc(Cl)s1
+,,,,,0.0,,,,,,,,,,,,CID1089848,COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1OC
+0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID972644,c1ccc(Cc2nnc3sc(Nc4ccccc4)nn23)cc1
+,,,,0.0,,,,,,,,,,,,,CID3567787,O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)s1
+0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID719076,Cc1nc(S(=O)(=O)NC2CCCCC2)c(C#N)c(C)c1Cl
+,,,,,,0.0,,,,,,,,,,,CID5310599,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccncc1
+,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID2958007,CC(C)C(NC(=O)c1ccccc1)C(=O)NCc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID831168,CC(/C=C/c1cccc([N+](=O)[O-])c1)=N\NC(=O)c1cccnc1
+,0.0,0.0,,0.0,0.0,,,,,,,,,,,,CID2998052,Cc1noc(C)c1COC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
+,,,,,,,,,,,,,,0.0,,,CID2203094,COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1
+,,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID691260,CC(C)(C)c1cc(Cc2ccccc2)[nH]n1
+,,,,0.0,,,0.0,0.0,,,,0.0,,,,,CID652600,O=C(CN(C(=O)c1ccc2c(c1)OCCO2)c1ccccc1)NCC1CCCO1
+,,,,,,,,,,,,,0.0,0.0,,,CID790261,O=C(NNC(=O)c1cccnc1)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID4578281,CC(=O)Nc1ccc(Nc2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID667296,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)nc2nc(C)[nH]n32)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID3240016,CN1CCN(c2ccccc2NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3420546,Cc1ccc(C)c(N2CCN(C(=O)c3ccc4nc(-c5ccco5)c(-c5ccco5)nc4c3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID5768421,COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)c(C)c2)C1c1ccncc1
+,,,,,,,,,,,0.0,,,0.0,,,CID738661,Cc1ccc(-n2nc3ccc(NC(=O)c4ccco4)cc3n2)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID660176,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Br)o1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID663275,Cc1cc(C)c2c3c(sc2n1)C(=O)N(C)CC(=O)N3
+,,,,,,0.0,,,,,,,,,,,CID666801,Nc1nc(CN2CCN(c3ccccn3)CC2)nc(Nc2ccc(F)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2219714,COc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1936615,CC1(C)Cc2nc3sc4c(SCC(=O)NCc5ccccc5)ncnc4c3cc2CO1
+,,,,0.0,,,,0.0,,0.0,,,0.0,,,,CID1245900,CCSc1nnc(NC(=O)c2cc3c(s2)CCCC3)s1
+,,,,,,,,,,,0.0,,,,,,CID2328548,COc1ccc(/C=C2/N=C3CCCCCN3C2=O)cc1OC
+,,,,0.0,,,,,,,,0.0,,0.0,0.0,0.0,CID2115705,COc1cc(C(=O)OCC(=O)NCc2ccco2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,0.0,,,,CID745721,Cc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID2079464,CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(C)c2C)[nH]1
+,,,,,,,,,,,,,,,,0.0,CID5309998,COc1ccc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1OC
+0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,,CID2953528,CCN1CCN(S(=O)(=O)c2cc(OCC(=O)NC3CCCCC3)c(C)cc2Cl)CC1
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID670263,COc1ccc(C(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1742630,CCCCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12
+,,,,,,,,,,,,0.0,,,,0.0,CID652474,CCN1C(=O)C2C(c3ccccc3F)NC(Cc3ccc(O)cc3)(C(=O)OC)C2C1=O
+,,,,,,,,,,,,,,0.0,,,CID839889,CCSc1nc(=S)n(Cc2ccccc2)c(C)c1C(C)=O
+,,,,,,,,,,,,,0.0,,,,CID650960,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2272177,COc1cccc(OCCOc2cccc(/C=C3/SC(=S)NC3=O)c2)c1
+,,,,,,,,,,,,,0.0,,,,CID4146306,O=c1c2cc(Br)ccc2[nH]c(=S)n1Cc1ccccn1
+,,,,0.0,,,0.0,,,,,,,,,,CID3241035,COC(=O)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)OC)c1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID484122,COc1ccc(C2NC(=O)c3ccccc3N2)cc1OC
+0.0,,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID2954714,Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1
+,,,,,0.0,,,,,,,,,,,,CID2222949,Cc1ccc(OCCNC(=O)c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1916791,Cc1cc(=O)oc(C)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,,0.0,,,,,,,,CID670059,Cc1ccc(CNS(=O)(=O)N(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID16195369,CC1CCCCC1NC(=O)CSc1ccsc1[N+](=O)[O-]
+,0.0,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,CID661910,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID9551055,COc1ccc2c(c1)CCc1c(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)noc1-2
+,,,,,,,,,,,,,0.0,,,,CID1481531,CC1CCN(Cc2cnc(Cl)s2)CC1
+,,0.0,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,CID874396,COc1cc2[nH]c(=O)n(-c3ccccc3)c(=O)c2cc1OC
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1488089,N#Cc1c(SCc2ccc(Cl)cc2)sc(C(=O)c2ccccc2)c1N
+,,,,,,,,0.0,,,,,,0.0,,,CID936109,COc1ccc(C(=O)Nn2cnnc2)c(OC)c1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID5307656,Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)sc2c1
+,,0.0,,,,,,,,,,,,,0.0,,CID2980758,CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
+,,,,,,,,,0.0,0.0,,0.0,0.0,,,,CID2999011,Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)COc3ccccc3)CC2)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID2946036,COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCN4CCCC4C3)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2908197,O=C(c1cccs1)N1CCC(c2ccccc2)C1
+,,,,,,,,0.0,,,,,,,,,CID76313,O=C(O)COc1cccc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID7197384,N/C(=N\CCc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID2180086,CCOCCCNC(=O)c1ccc(OC(C)=O)cc1
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID1017348,COc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCC(=O)NC(C)(C)C
+,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID685734,CC1(C)Cc2ccccc2-c2nc3ccccc3c(=O)n21
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID1110941,O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCOCC1
+,,,,,,,0.0,,,,,,,,,,CID5309967,O=C(O)Cn1ncc2c1-c1ccoc1CC2
+,,,,,,,,,,,,,,0.0,,,CID3205310,O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3240437,CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(CC(=O)NCc3ccco3)c2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1229560,Cc1cn(C(=O)c2ccccc2)c(=S)n1-c1ccc(Br)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID5742565,C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(C)n(-c2ccc(F)cc2)c1C
+,,,,,,,0.0,,,,,,,,,0.0,CID3236567,CCS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3)CC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID934365,Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)n3cccn3)c2c1
+,,,,,,,,,,,,,,0.0,,,CID1488956,O=C(OCc1cncs1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID938883,CNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID2225058,COCCNC(=O)c1ccccc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
+,,,,,,,,,,,0.0,,,,,,CID3135950,CCc1ccc2c(c1)=C(c1ccc([N+](=O)[O-])cc1)NN=C(c1ccc(F)cc1)N=2
+,,,,,,,,0.0,,,,,,,,,CID3100298,O=C(NCCCCNC(=O)c1ccc(Cl)s1)c1ccc(Cl)s1
+0.0,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID2204065,Cc1cc(Cl)c(S(=O)(=O)Nc2ccon2)cc1OCC(=O)NC1CCCCC1
+,,,,,,,,,,,,,,,,0.0,CID3244284,CCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID628668,N#Cc1cc(Oc2cccnc2)c(Oc2cccnc2)cc1C#N
+,,0.0,,,,,,,,,,,,,0.0,,CID1382129,COc1ccccc1Nc1nc(N)nc(CN2CCC(Cc3ccccc3)CC2)n1
+,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID2946789,CC12CCC(C(=O)NCc3ccc4c(c3)OCO4)(CC1=O)C2(C)C
+,,,,,,,,,,,,,0.0,,,,CID736171,Cc1cc(=O)n(-c2ccccc2Cl)[nH]1
+,,0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,CID2372914,Cc1ccc(C(C)C)c(OCc2ccc(-c3nnco3)cc2)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID1074063,O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID977117,Nc1nc(SCc2ccc3c(c2)OCO3)n[nH]1
+0.0,,,0.0,,,,,0.0,0.0,,,,,,,,CID2098617,NS(=O)(=O)c1ccc(CCNc2ncnc3sccc23)cc1
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0,CID657477,Cn1c(=O)c2c(nc(NCc3ccc4c(c3)OCO4)n2Cc2ccccc2)n(C)c1=O
+,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0,CID2970666,Cc1cc(C(=O)NC(C)c2ccncc2)no1
+,,,,,,,,,,0.0,,,0.0,,,,CID3713404,CCCCCCCCS(=O)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2461526,Cc1nc(N2CCCCC2)c2c(-c3cccs3)csc2n1
+,,,,,,0.0,,,,,,,,,,,CID5771465,CCOC1=N/C(=C2\C=CC=CC2=O)Nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2446910,O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1
+,,,,,,0.0,,0.0,,,0.0,,,0.0,,,CID651356,C=CCN(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1
+,,,,,,,,,0.0,,0.0,,,,,,CID652102,Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1
+,,,,,0.0,,,,,,,,,,,,CID6620084,CN(Cc1ccccc1)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21
+0.0,,,,,,,0.0,,,0.0,,,,,,,CID662396,COc1cc(-c2nn3c(-c4ccco4)nnc3s2)cc(OC)c1OC
+,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3242654,CCOC(=O)c1c(C)c(C(=O)NCC2CCCO2)c(C)n1CC
+,,,,,0.0,,,,,,,,,,,,CID4130027,CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCC3(CC2)OCCO3)cc1
+,,,,,,,,,,,,,,,0.0,,CID3237826,CCC1CCCN1Cn1cnc2c([nH]c3ccc(OC)cc32)c1=O
+,,,,0.0,,,,,,,0.0,,,,,,CID1147639,O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID665046,c1cn(CC2(Cn3ccnc3)COC2)cn1
+0.0,,0.0,,,0.0,,,,0.0,,,,,,0.0,0.0,CID3237418,CCn1cc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c(C)n1
+,0.0,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID3239582,COc1cccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID740469,CCOc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2386841,CCN(CC)c1ccc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3320056,CCn1cc(C(=O)N2CCCCC2)c2ccccc21
+,,,,,,0.0,,,,,,,0.0,,,,CID648088,CCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID3244479,Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCC3CCCO3)o2)c1
+,,,,,,,,,,0.0,,,0.0,,,,CID9550553,CCC(=O)OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+](=O)[O-]
+,0.0,,,,,,0.0,,,0.0,0.0,,,,,,CID653309,Cn1ncc2c(N3CCOCC3)ncnc21
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID785751,CCN1CCN(Cc2ccccc2C)CC1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID1340180,CCN(CCC(=O)Nc1cc(OC)cc(OC)c1)Cc1ccccc1
+,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,CID652086,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
+0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,CID666900,CN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID627800,CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)N2CCCC2)c1C
+0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,,CID646897,CN(C)C=C1C(=O)N(C2CCCCC2)C(=O)N(C2CCCCC2)C1=O
+,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,CID1301208,O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCCO2
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID2049748,Cc1nnc(SCC(=O)N2CCC(Cc3ccccc3)CC2)n(N)c1=O
+0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID664660,CC(C)C(=O)N1CCN(c2nc(-c3ccccc3)c3c(c2C#N)CC(C)(C)OC3)CC1
+,,,,,,,,,,,0.0,,,,,,CID3578380,O=C(Oc1ccccc1N1C(=O)C2CCCCC2C1=O)c1ccc(Cl)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID2814594,CCOC(=O)C1CCc2sc(N)c(C#N)c21
+,,,,,,,,0.0,,,,,,0.0,,,CID1488253,Cc1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID645247,Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID3560125,Cc1cc(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(/N=C/N(C)C)n1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID2055854,O=C(NCc1ccco1)Nc1ccc2nsnc2c1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2999508,CC1CN(C(=O)CSc2nc3cc(Cl)ccc3o2)CC(C)O1
+,,,,,0.0,,,,,,,,,,,,CID6619109,CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)Nc1cc(OC)ccc1OC
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID1247908,Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cnn2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID3828582,CCCOc1ccc(NC(=O)CC2C(=O)N(Cc3ccccc3)C(=S)N2Cc2cccs2)cc1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID5310396,O=C(CCCc1ccccc1)NCc1cn2ccsc2n1
+,,,,,,,,,,,,,0.0,,,,CID1487448,N#Cc1c(-c2ccccc2)ccn(Cc2ccc(Cl)cc2)c1=O
+0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,,,CID651590,COc1ccccc1C(=O)N1CCCC(c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)C1
+,0.0,,,0.0,,,,,,,,,,,,,CID648735,CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4)CC3)nnc12
+,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,CID658018,CCc1cc2c(=O)c(-c3cscn3)coc2c(CN(C)C)c1O
+,,,,,,,,,0.0,,,,,,,,CID2546642,O=C(COC(=O)CNC(=O)c1ccco1)Nc1ccc(Cl)cn1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3240710,Cc1nc2cc(C(=O)N3CCC4(CC3)OCCO4)ccc2n1-c1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID2768954,CCOC(=O)C(C)Sc1nc(=O)n2ccccc2n1
+,,,,,,,,,,,,,0.0,,,,CID896205,COc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
+,0.0,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,CID645518,c1coc(CNc2c3c(nc4ncnn24)CCC3)c1
+,,,,,,,,,,,,,0.0,,,,CID2909806,CCOC(=O)c1c(-c2ccc(OC)cc2)csc1/N=C/N(C)C
+,,,,,,,,,,,,,0.0,,,,CID713457,COc1ccc(NC(=S)NCCc2c[nH]c3ccccc23)cc1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID1446457,COc1ccccc1C1(O)CCN(C(=O)c2cccs2)CC1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID751080,CCC(=O)NCc1nc2ccccc2n1Cc1ccccc1F
+,,,,0.0,,,,,,,,,,,,,CID3242380,CCN1CCCC1CNC(=O)COc1cc(=O)n(C)c2ccccc12
+,,,,,,,,,,,,0.0,,,,,CID3601838,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1CCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1972549,O=C(N/N=C/c1sc(=O)n(-c2ccccc2)c1Cl)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID345469,COC(=O)C1C2c3ccccc3C(c3ccccc32)C1C(=O)OC
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID656143,COc1ccccc1C(=O)Nc1nnn(C)n1
+,,,,,,0.0,,,0.0,,,,0.0,,,,CID2787102,O=C(CCN1C(=O)c2ccccc2C1=O)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID3189948,O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CC2)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2768652,NC(=O)C(c1ccc(Cl)cc1)c1ccc(Sc2ccccc2)nn1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID659535,Cc1ccc(-c2nnc(-c3ccccc3)o2)cc1Br
+,0.0,0.0,,,,,,,,0.0,0.0,,,,,,CID661087,N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1022796,O=C1CCCC2=C1C(c1ccc(OCc3ccccc3)cc1)C1=C(CCCC1=O)O2
+,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,CID892585,N#Cc1nc(-c2ccccc2F)oc1NC1CCCCC1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID588000,Cc1csc(NC(=O)C2CCCN2C(=O)Oc2ccccc2)n1
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID2202937,O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,0.0,,,,,,CID1980018,CN(C)c1ccc(N/C=C/C(=O)c2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1206783,Cc1ccc(-c2cc(NC(=O)c3cccs3)n[nH]2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID662347,CCOc1ccccc1NC(=O)CSc1nnc(-c2cnccn2)n1CC
+,,,,,,,,,,,,,,,,0.0,CID976042,CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
+0.0,,,,,,,,,,,0.0,,,,,,CID979383,CCOC(=O)COc1cc2c(C(=O)OCC)c(C)oc2cc1Br
+,,,,,,,,,,,,,0.0,,,,CID1903510,COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID699971,CCc1cc(CN2CCOCC2)c(NC(=O)c2ccccc2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID739457,O=C(N/N=C/c1ccc(Br)o1)c1cccnc1
+,0.0,,,0.0,0.0,,,0.0,,,,,,,,,CID589822,Cc1nn(CC(=O)NCc2ccccc2)c(=O)c2ccccc12
+,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,CID3240781,O=C(CN1C(=O)C2(OCCCO2)c2ccccc21)NCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID971643,Cc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)c(C)c1
+0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID649034,O=C(NC1CCN(Cc2ccccc2)CC1)C1COc2ccccc2O1
+,,,,,0.0,,,,,,1.0,,,,,,CID5310919,CN(C)/C=N/C(=O)/C(C#N)=C1\CCc2ccccc2N1
+,,,,,0.0,,,,0.0,,0.0,,,,,0.0,CID2887451,CC(C)=C1C2CCC1C(C(=O)NCc1ccccc1)C2C(=O)O
+,,,0.0,,,,,,,,,,0.0,,,,CID1001404,COc1ccccc1C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID665130,Cc1cc(=O)n2c(C)n[nH]c2n1
+0.0,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID664545,COc1ccc2[nH]cc(C(=O)CN3CCCCC3C)c2c1
+,,,,,0.0,,,,,,,,,,,,CID2964663,Cc1ccc(N2C(=O)CC(n3nc(C)cc3C)C2=O)cc1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID5098586,CCn1c(SCC(=O)Nc2nnc(C)s2)nc2c(c1=O)SC(C)C2
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID659286,Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C
+,0.0,0.0,,,,,,,,,,,,,,,CID709018,CCOC(=O)c1nnn(-c2nonc2N)c1CNc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2290501,CS(=O)(=O)N(CC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID1471733,CC(=O)c1cc(C#N)c(N2CCCC2)nc1C
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3000164,Cc1csc(=N)n1CC(=O)N1CCc2ccccc21
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+,,,,,,0.0,,,,,,,,,,,CID775764,COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cccc(OC)c1
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+,,,,,,,,,0.0,,,,,,,,CID5771476,CC1=C2C(=NC(=O)CC2c2ccccc2F)NN1
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+,,,,,,,,,,,,,,0.0,,,CID2345496,COc1ccccc1NS(=O)(=O)c1ccc(/C=C/C(=O)O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1115368,COc1ccc(/C=N/NC(=O)c2[nH]ncc2Br)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2329041,CN(C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
+,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID3243492,CCOc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1911050,CCCCCCN1C=CC(=C/C=C(\C#N)C(=O)OCC)C=C1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550534,COC(=O)c1c(C)nn(-c2ccccc2)c1-n1cccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID665903,O=C1CC(c2cccs2)Cc2nc(NCC3CCCO3)ncc21
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+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID655342,CCOc1ccccc1N(CC(=O)NCc1ccc(OC)cc1)S(C)(=O)=O
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+,,,,,,,,,,,,0.0,,,,,CID5711619,COC(=O)C1=C(C)N=C2N=CNN2C1c1ccccn1
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+0.0,,,,,0.0,0.0,,,0.0,,,,,,,,CID1091403,CCOc1ccccc1NC(=O)CN1C(=O)COc2ccc(Cl)cc21
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+,,,,0.0,,,,,,,,0.0,,,,,CID2891326,CCC(Sc1nc2ccccc2s1)C(=O)Nc1nnc(C)s1
+,,,,,,,,,,,,,0.0,,,,CID4878202,CN(C)CC(C)(C)CNS(=O)(=O)CC12CCC(CC1=O)C2(C)C
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+,,,,,,,,,,,,,,0.0,,,CID11958864,CC(/C=C/c1ccccc1)=N\NC(N)=S
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+,,,,,,,0.0,,,,,,,,,,CID5073,Cc1nc2n(c(=O)c1CCN1CCC(c3noc4cc(F)ccc34)CC1)CCCC2
+,0.0,,,,,,,,,,,,,,0.0,,CID648086,Cc1sc(NC(=O)CSc2nc(=O)c(C)n[nH]2)c(C#N)c1C
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID401437,CCOC(=O)NC(Nc1nnc(C)s1)(C(=O)OCC)C(F)(F)F
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+,0.0,0.0,,,,,,,,,,,,,,,CID5309907,COc1ccccc1S(=O)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID878160,Cc1cc(OCC(=O)NCc2ccccc2)cc(C)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID16195551,CCOC(=O)N1CCC(N(CCN(C)C)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID843848,Cn1nccc1CNC(=O)c1c(Cl)cnn1C
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1111054,O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCCc2ccccc21
+,,,,,,,,,,,,0.0,,,,0.0,CID646068,Nn1cnnc1SCC(=O)Nc1ccc(C2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1731473,CCCCNC(=O)c1cc([N+](=O)[O-])n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2225604,O=C(NCCCN1CCOCC1)C(=O)NCc1ccco1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1048331,O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID156749,OC(Cn1cncn1)(c1ccccc1)c1ccccc1
+,,,,,,,,0.0,,,,,,0.0,,,CID692468,O=C1N=C(N2CCCC2)S/C1=C\c1cccc(Br)c1
+,,0.0,,,,,,,,,,,,,,,CID5309299,CNC(=O)c1ccc2snnc2c1
+,,,,,,,,,,,,0.0,,,,,CID5769461,Cc1ccc2c(c1)=NC(=O)/C(=C1/N=C(C3CCCO3)ON1)C=2
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID660963,Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)O)n2CCc1ccccc1
+,,,,0.0,,0.0,,0.0,,,,0.0,,,,,CID2608751,O=C(O)Cn1cnc2scc(-c3cccs3)c2c1=O
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2023056,Cn1nc(-c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2983536,CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C
+0.0,,,0.0,,,,,,,0.0,,,,,0.0,,CID2968061,Cc1ccc(NC(=O)CCSc2nnnn2-c2ccc3c(c2)OCO3)cc1C
+0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,,CID650019,CCOc1ccccc1NC(=O)CSc1nc2cccnc2n1C
+,,,,,,,,,,,,,,,0.0,0.0,CID2981504,COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)c1
+,,,,,,,,,,0.0,,,,,,,CID873468,CC(C)CCN(C)c1ccc(/C=N/n2cnnc2)cc1
+0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,,CID661020,COc1ccc(-c2nc3n(n2)C(=O)CC(c2ccco2)S3)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID872669,O=NC1=C2NC3(CCCCC3)[N+]([O-])=C2CCC1
+,,,,,0.0,,,,,,,,,,,,CID2430757,Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID856198,O=C(Oc1cccc(-n2cnnn2)c1)c1ccco1
+,,,0.0,,,,,,,,,,,0.0,,,CID5389200,CCOc1ccc(N2C(=O)NC(=O)/C(=C\NCCN3CCNCC3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5725106,CCOC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(C(C)=O)c(Nc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID16187314,OCCN(Cc1nc(-c2ccc3c(c2)OCO3)no1)Cc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID3219240,Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID3242701,O=C(CCn1cccc1)N1CCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID3111005,COc1ccc(/C=N/Nc2nc3ccccc3o2)cc1OC
+0.0,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID653493,CN(C)c1ccc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3794983,O=C(NNC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1
+,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,CID2237836,Cc1cc(-c2ccccc2)nc(SCc2ccc(C(=O)O)o2)n1
+,,,,,,,,,,,,0.0,,0.0,,,CID6324543,COc1ccc(N2CCN(c3cc(C)c4ccc(=O)cc-4[nH]3)CC2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID2143385,N#CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2
+,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,CID1958182,CCCOc1ccc(CSc2ncn[nH]2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2869577,CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc(OCC)c1OCC
+,,,,0.0,,,0.0,,,,,,,,,,CID2016610,CCn1c(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)nc2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID3237197,COc1cc(NS(=O)(=O)c2ccc(Br)s2)cc(OC)c1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID2967427,O=C1c2ccccc2S(=O)(=O)N1CC(O)Cn1ccc2ccccc21
+0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID890639,CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCCC3
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID3236817,O=S(=O)(c1ccccc1S(=O)(=O)N1CCCCC1)N1CCCCC1
+0.0,,,,0.0,,0.0,,0.0,,,,,,,,,CID3573843,CCCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID650444,CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1ccccc1C(=O)OC
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID659486,O=C1C2CCN(CC2)C1Cc1ccc2ccccc2c1O
+,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,CID663688,CC(C)OCCCNc1ncnc2c1[nH]c1ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1220288,Cc1ccc(-c2cc(C(=O)NCc3ccccn3)c3ccccc3n2)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID2827888,Cc1cc(C)nc(NC(=O)NS(=O)(=O)Nc2ccc(Br)cn2)n1
+,0.0,0.0,,0.0,,,,,,1.0,,,,,,,CID4283428,CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID2999997,Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NCCC(C)C)C2=O)cc1
+,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,CID1305053,Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)no1
+,,,,,,,,,0.0,,,,,,,,CID9551040,CCOC(=O)CSc1nc2cc(C(=O)N3CCCC3)ccc2c(=O)n1Cc1ccccc1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID3126083,CCCCn1c(SCC(=O)OCC)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,0.0,,0.0,,,,,,CID843960,COc1ccc(-c2ncccc2O)cc1
+,,0.0,,,,,0.0,,,,,,0.0,,0.0,,CID3245114,CCOC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)nn1
+,,,0.0,,0.0,,,,,,,,0.0,,0.0,,CID1118414,O=C(NCc1cccnc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID3246778,CCC(C)Oc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
+0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,,0.0,CID2998423,c1ccc2c(c1)CCCC2NC1=NCCC1
+,,,,,0.0,,,,,,,,,,,,CID794903,O=C(Nc1ccccc1)Nc1nnc(-c2ccccc2)s1
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID2966811,COc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2841644,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1nc2ccccc2[nH]1
+,,,,0.0,,,0.0,0.0,,,,0.0,,,,,CID2408679,O=C(Cn1cnc2ccccc21)OCC(=O)N1CCCc2ccccc21
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID5308837,O=C(c1cc(-c2cccc(O)c2)on1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID1724252,Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3cccnc3)S2)cc1
+,,,,,,,,,,,,,,0.0,,,CID595272,CC(C)(C)c1ccc(C(=O)Nc2ncn[nH]2)cc1
+,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID1803647,CCCCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID645683,Fc1ccc(NCc2cccnc2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1193364,Cc1ccc(NC(=O)c2ccc(OC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2839131,COC(=O)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
+,,,,,,,,,,0.0,,,,,,,CID807772,CCOC(=O)c1sc(Nc2ccccc2)nc1C
+,0.0,,,,,,,,,,0.0,,,,,,CID838816,CCOC(=O)c1cnc2sccn2c1=O
+,,,,,0.0,,,,,,,,,,,,CID9551165,CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)ccc21
+,,,,,,,,0.0,,,,,,,,,CID1091748,O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID540240,CC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1
+,,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID752651,C=CCn1c(N)c(C(=O)NC2CCCCC2)sc1=S
+,,,,,,,,,,,,,0.0,,,,CID677037,O=C(O)/C=C/c1coc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID729276,CCOC(=O)c1sc2cccc(Cl)c2c1N
+,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,CID3238090,O=C(Cn1cccc1)NC1CCCc2ccccc21
+,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,CID657763,CN1CCCCc2c1nc1c(c2N)CCCC1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID2945170,O=C(c1ccc(Cl)cc1)c1ccc(OCC(O)CN2CCOCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID934943,COc1cc(OC)nc(NC(C)=O)n1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,,CID2333837,O=C(c1nnc(-c2ccncc2)o1)c1ccccc1Cl
+0.0,,,,,,0.0,,,0.0,,,0.0,0.0,,,,CID656322,CC(C)OC(=O)CSc1nc2cccnc2n1C1CCCCC1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID660408,CC(C)(C)n1nnc(CCc2nnn(C(C)(C)C)n2)n1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3244236,Cc1ccccc1CS(=O)(=O)CCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
+,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,CID686900,O=C(O)c1ccccc1SCC(=O)N1CCCCC1
+,,,,,0.0,,,,,,,0.0,,,,,CID5310885,O=C1Nc2ccccc2/C1=C1/SC(=S)N(CC2CCCO2)C1=O
+,,,,,,,,,0.0,,,,,,,,CID937934,CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1N
+,,,,,0.0,,,,,,,,,,,,CID11948855,Cc1cccc2c1OCC/C2=N\NC(=O)COc1ccccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID2457243,O=C1CN(C(=O)C2CC2)c2ccccc2N1
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+,,,,,,,0.0,,0.0,,,,,,,,CID5389182,CCCCN1C(=O)NC(=O)/C(=C\NCCN2CCCCC2)C1=O
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+0.0,0.0,,,,,,,,,,,,,0.0,0.0,0.0,CID2578362,Cc1ccc(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(Cl)c1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2583862,COc1ccc(OCC(=O)Nc2nc3ccccc3[nH]2)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2096639,CC(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)n[nH]1
+,,,,,,,,,,0.0,,,,,,,CID3211430,COCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID704682,Cc1cccc(Nc2nc(-c3c(C)nc4ccccn34)cs2)c1
+,0.0,,,,,0.0,,,,,0.0,,0.0,0.0,0.0,,CID306162,Cc1cc(NC(=O)Nc2cccc3ccccc23)no1
+0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID650215,CCOc1ccccc1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
+,,,0.0,0.0,,,,,,,,,,,,,CID177787,O=c1cc(O)sc2ccccc12
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3244108,O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12
+,,,,0.0,,,,,,0.0,,,0.0,,0.0,,CID2971855,CS(=O)(=O)NCc1ccc(C(=O)NCCOc2ccccc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID5643743,Cc1cc(C)n2c(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nnc2n1
+,,,,,,,,,,,,,,0.0,,,CID5415951,CCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID660364,COc1ccccc1NC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
+,,,,,0.0,,,,,,,,,,,,CID5338709,Cc1[nH]n(-c2ccccc2)c(=O)c1/C=C1/C=Nc2ccccc21
+0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID657953,CN1CCN(C(=O)CSc2nc(-c3cccs3)ccc2C#N)CC1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID3238863,O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(Cl)cc3)N2C1=O)NCc1ccco1
+,,,,,,,,,0.0,0.0,,,,,,,CID1088322,COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2095603,O=C(CSc1nc2ccccc2[nH]1)Nc1c(F)cccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID824917,COc1c([N+](=O)[O-])c(=O)n(-c2ccccc2)c2ccccc12
+0.0,,0.0,,,,0.0,,0.0,,,,,,,,,CID664188,COc1cccc(NC(=O)NC(Cc2ccccc2)C(=O)O)c1
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID651267,COCCCNC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID2792659,Cc1n[nH]c(=O)nc1N1CCc2ccccc2C1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID650982,COc1ccc(NCc2nnc(SCC#N)n2-c2ccccc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID16195760,C#Cc1ccc(C2C=C(C(=O)OCC=C)OC(OCC)C2CCCO)cc1
+,,,,,,,,,,,,,,0.0,,,CID1153414,Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5c(s4)CCCC5)n3c2c1
+,0.0,,,,,,,,,,,0.0,,,,,CID1075566,COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
+,,,,,,,,,,,0.0,,,,0.0,,CID784281,CN1CCN(C2CCCCCC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID3229220,COCCn1nnnc1C(c1ccccn1)N1CCN(c2cccc(C)c2C)CC1
+,,,,,,,,,,,,0.0,,,,,CID2997707,CCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccccc1OC(F)F)n2CCOC
+,,,,,,,,,,,,,0.0,,,,CID2392387,CCOc1ccc(OCCCC(=O)O)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID873949,Cc1cc(N2CCOCC2)c2c(N)c(Br)cc(C)c2n1
+,,,,,,,,,,,,,0.0,,,,CID733618,CCc1ccc(NC(=O)CSCc2ccc(C(=O)O)cc2)cc1
+,,,,,,,,,0.0,0.0,0.0,,,0.0,,,CID2953031,O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1cccc(Cl)c1
+,,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID3239033,CCOC(=O)N1CCN(C(=O)CCC(=O)N2CCOc3ccc(C)cc32)CC1
+,0.0,,,0.0,,,,,,,,,,,,,CID3245208,CCn1c(=O)cc(OCC(=O)Nc2cc(C)ccn2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID786688,CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1745119,O=C1C2=C(CCCC2)C(=O)N1c1cccc(OCCBr)c1
+0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID1528719,CCOC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
+,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,CID653971,Cc1ccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc2c1C
+,,,,,,,,,,,,,0.0,,,,CID797782,COCC(=O)Nc1ccc(Br)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2405593,C=CCN(CC=C)c1cnn(-c2nc3ccccc3[nH]2)c(=O)c1Cl
+,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,CID3142284,COc1ccccc1C1CC(=O)NC(SCC(=O)Nc2ccccc2)=C1C#N
+0.0,,,,,0.0,,,,,,,,,,,,CID5309601,Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1CCc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID649969,CCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1
+,,,,,,,,,,,,,,,0.0,,CID5307645,COc1ccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccccc4Cl)N3N2)cc1
+,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID651333,CC(=O)Nc1ccc(C(=O)Cn2nnc3ccccc3c2=O)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID4987134,CC(C)OCC(O)CSc1ccccn1
+,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,CID2337473,Cc1[nH]n(-c2ccccc2)c(=O)c1S(=O)(=O)c1ccccc1
+,,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID2395269,CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,0.0,,,,,0.0,,,CID1434077,CCc1c(C)nc(N)n2c(SCC(=O)Nc3ccccc3)nnc12
+,,,,,,0.0,,,,,,,,,,0.0,CID5309887,O=C1Nc2cc(Cl)cnc2N2CCCC12
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,0.0,CID652319,CCn1c(COc2ccccc2C)nnc1SCC(=O)NC1CCCC1
+0.0,,,0.0,,,,0.0,,,,,,,,0.0,,CID657720,Nc1c2c(nc3ccccc13)N(C1CCCCC1)CC2
+0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,CID655443,Cc1oc2cc3c(C(=O)N4CCCCC4)c(C)oc3cc2c1C(=O)N1CCCCC1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,CID3242785,CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID578365,O=Cc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1
+,,,,,0.0,,,,,,,,,,,,CID1540713,COC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
+,,,,0.0,0.0,,,,,0.0,,,,,0.0,,CID3241977,COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)ccc2c1=O
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID2838041,CCN(CC)C(=O)C1CCCN(Cc2cccc(F)c2)C1
+,,,,,0.0,,,,,,,,,,,,CID1918048,N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Cl)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID228244,CCC(CC)C(=O)NCCNC(=O)C(CC)CC
+,0.0,,,,,,,,,,,,,,,,CID5308617,CCOC(=O)N1CCC(Nc2nc3ccccc3n3cnnc23)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID667140,CC(C)/N=C1\SCC(C)(/C=N/O)S1
+,,,,,,,,0.0,,,,,,,,,CID706510,Clc1ccc(-c2cn3cccnc3n2)cc1Cl
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,,CID3240058,CCOC(=O)N1CCC(NC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1
+,0.0,,,,,,,,,,,,,0.0,0.0,,CID660910,Nc1nc2nccc(-c3ccc(Cl)cc3)n2n1
+0.0,0.0,,,0.0,0.0,,,,,0.0,,0.0,,0.0,,,CID2299954,Cc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3527591,CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1
+0.0,,,0.0,,,,,,,,,,,,,,CID2112001,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1nc2nc(C)cc(C)n2n1
+,,0.0,,,,,,,,,,,,,,,CID3245918,Cc1ccc2c(c1)c1c(n2CC(O)Cn2c(C)nc3ccccc32)/C(=N/O)CCC1
+,,,,,,,,,,,0.0,,,,,,CID3137491,CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccncc1
+,,,,,,,,,0.0,,,,0.0,,,,CID750373,O=C(NCc1ccccn1)c1ccc(Cl)s1
+,,,,,,,,,,,,,,0.0,,,CID1333333,COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1Br
+,,,,,,,,,,0.0,,,,,,,CID1857272,Cc1ccc(Nc2nc(N)nc(CSCCO)n2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID3238155,COc1cc(OC)c(N(C)C(=O)CCNC(=O)Cn2cnc3ccccc3c2=O)cc1Cl
+,,,,,0.0,0.0,,,0.0,,,,,0.0,,,CID2997644,CCC1CCCCN1C(=O)Cn1c(=O)oc2ccccc21
+0.0,,,,,,,,,,,,,,,,0.0,CID80727,COc1cc(N)c(Cl)cc1NC(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1482048,O=C1c2ccccc2C(=O)N1CCc1csc(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1084407,O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1
+0.0,,,,,,,,,,,,0.0,,,,,CID660581,O=C(CSc1ncccn1)Nn1cnnc1
+,,,,,,,,,,,,0.0,,,,,CID6398917,COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID973273,Cc1cc(NC(=O)c2ccc(NC(=O)c3cccs3)cc2)no1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID3238339,COC(=O)c1cccnc1-n1c(=O)c2cccnc2n(Cc2ccc(Cl)cc2)c1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID2336418,CCOc1ncccc1C(=O)OCC(=O)c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID5308878,CN1CCN(CCCNC(=O)Cn2ncc3c4ccccc4n(C)c3c2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID2406914,COc1ccc(C(=O)CSc2nnc(C3CC3)n2N)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2771400,O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID669397,CCOc1ccc(C(=O)NCCc2ccccc2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID903091,Cc1cc(NC(=O)CCC2CCCCC2)no1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID647342,COc1ccccc1C(=O)N1CCN(C(=O)COc2cccc(C)c2)CC1
+0.0,,,,,,,,0.0,,,0.0,0.0,,,,0.0,CID654838,CCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
+0.0,,,,,,,,0.0,,,,,,,,,CID5308489,O=C(c1cncc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1400789,COc1ccccc1CNC(=O)CCC(=O)Nc1nnc(C(C)C)s1
+,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,CID753475,Cc1cc(Br)ccc1OCc1nc(-c2cccnc2)no1
+,,,,,0.0,,,,,,,,,,,,CID840931,Cc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1329774,COc1ccc(N2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)cc1
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID685255,Cn1cnnc1SCc1ccc(C#N)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID845226,Cc1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
+0.0,0.0,,,,0.0,,0.0,,,,,,,,,,CID3236275,O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2)CC1
+,0.0,,,,,,,,,0.0,,,,,,,CID654418,Cc1ccc(OCc2nc(C#N)c(N3CCCC3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2085918,C=CCNC(=O)CSc1n[nH]c(-c2cc(Cl)ccc2OC)n1
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID3637847,COC(=O)c1c(NC(=O)C2CC2)sc2c1CCN(C(C)=O)C2
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID903215,COc1ccc(CC(=O)Nc2nnc(C)s2)cc1
+0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID3238883,CCCCN1C(=O)c2ccccc2C1C(=O)NC1CCCC1
+,,0.0,,,,,,,,,,,,,,0.0,CID1314023,O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccnc1
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID2377074,CCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C
+,,,,,,,,,,,,0.0,,,,,CID861432,O=C(CSC1=NCCS1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1475762,O=c1[nH][nH]c2cc(=O)n(-c3ccc(Cl)cc3)nc12
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID3241975,Cc1c(C(=O)NCc2ccoc2)oc2ccc3c(c12)C(=O)CC(C)(C)O3
+,,,,,0.0,,0.0,,,0.0,,,,,0.0,,CID2845827,CCC1CCCCN1Cc1ccc(OC)c(OC)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID658458,O=C(NC(NCc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccco1
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID736116,CN(CCc1ccccn1)C(=O)Nc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1506995,CCOC(=O)Cn1nc(C)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C
+,0.0,,,,0.0,,,,,1.0,,,,,,,CID5310246,COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccncc4)sc3n2)cc1
+0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,,,CID3238022,COc1ccccc1-n1nc(C(=O)NCc2ccco2)c2ccccc2c1=O
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID1087716,O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCCC1
+,,,0.0,0.0,,,0.0,,0.0,,,,,,,,CID3238478,CC(C)CCOc1ccc(C(=O)CCNC(C)C(=O)O)cc1
+,,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,CID583516,O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID2877140,Cc1cccc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID5308117,CCN(CCNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1)c1ccccc1
+0.0,,,,0.0,,,,,,,0.0,,,0.0,,,CID2929820,O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc(Cl)cc2)C1
+,,,,,0.0,,,,,0.0,,,,,,,CID1435047,Cc1ccc(-c2noc(=O)n2CC(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)cc1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3298051,COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2985127,O=C(NNC1CC(=O)N(c2ccc(Br)cc2)C1=O)c1cccnc1
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID2302095,N#C/C(=C\c1cccs1)Sc1nc2ccccc2s1
+,,,,,,,,,,,,,,0.0,,,CID989908,C=CCn1c(SCC(=O)N2CCc3ccccc3C2)nc2sc(C)c(C)c2c1=O
+0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID666347,CCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID1222863,O=C(c1ccc(Br)o1)N1CCN(c2ccccc2F)CC1
+,,,,,,,,0.0,,,,,,,,,CID872533,Cc1cn(S(=O)(=O)c2ccc(Br)cc2)cn1
+,,,,,,,,,,0.0,,,,,,,CID760050,CCc1cc2c(=O)n(-c3ccc(Br)cc3)cnc2s1
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID651024,CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccncc1
+,,,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,CID2208446,CSc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,0.0,0.0,,,,,,,,,,,,,CID570162,Cc1cc(NC(=O)c2ccccc2)sc1C
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID2364899,O=C(OCc1nc2ccccc2s1)c1cnccn1
+,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,CID658009,Cn1c(=O)n(-c2ccccc2)c(=O)c2c3c(sc21)COC(C)(C)C3
+0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID655661,Cc1ccc(NC(=O)CS(=O)CC(=O)NC(C)CCc2ccco2)cc1Cl
+,,,,,0.0,,,,0.0,,,,,,,0.0,CID2928691,COC(C(=O)Nc1cccc(F)c1)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID652927,CCCn1nnnc1SCC(=O)Nc1nnc(CC)s1
+,,,,,,,,,,,,,,0.0,,,CID4878254,COc1cc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc(Cl)c1OC(C)C
+,,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0,CID2784339,CC1CN(C(=O)c2cc3ccccc3oc2=O)CC(C)O1
+,0.0,,,,,,,,,,,,,,,,CID893544,Cc1nc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc2o1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID3238309,CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccccc2Cl)c1N
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0,CID650398,Cc1nc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)sc1C
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+0.0,,,0.0,,,,,0.0,,,,,,,0.0,,CID658228,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID720645,Brc1ccc2ncnc(NCc3ccccc3)c2c1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1399018,CC(C)C(=O)Nc1nnc(CCN2CCCCC2)s1
+,,,,,,,,,,,,,,0.0,,,CID873444,Cc1ccc(-n2cnc3sc(C)c(C)c3c2=O)cc1
+0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,CID2036508,O=c1cc(CN2CCN(C/C=C/c3ccccc3)CC2)c2cc(O)ccc2o1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID2767718,C=CCNC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1
+,,,,0.0,,,,,,,,0.0,,,,,CID2394820,CS(=O)(=O)c1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1
+,,,,,,,0.0,,,,,,,,0.0,,CID5389209,CN(Cc1c(O)ccc2c1oc(=O)c1ccccc12)C1CCCCC1
+,,,,,,,,0.0,,,,,0.0,,,,CID1438848,CCOC(=O)c1cc2sccc2n1CC(=O)OC
+,0.0,,,,,0.0,0.0,0.0,,,,,0.0,0.0,,,CID747731,CCOC(=O)c1cnc(SCC(=O)c2ccccc2)nc1N
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID889681,COCc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID721357,COC(=O)c1cccc(NC(=O)c2ccco2)c1
+,0.0,,,,,,,0.0,,,,,0.0,,,,CID2572988,O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID761167,COc1ccccc1N1CCN(/N=C/c2cccc(O)c2)CC1
+,,,,,,0.0,,,,,0.0,,0.0,,,0.0,CID1330319,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NCc1ccncc1
+,,,,,,,,,,0.0,,,,,,,CID759951,CCOC(=O)c1c(NC=O)sc2c1CCC2
+,0.0,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0,CID655614,Cc1ccnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c1
+0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,0.0,CID3240335,Cc1nc2sc(C(c3ccc(Cl)cc3)N3CC(C)OC(C)C3)c(O)n2n1
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID3236185,Cc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)c(C)c1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2967444,Cc1nc(NC(=O)C2CC3CCCC(C2)C3=O)sc1C
+,,,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,CID975894,O=C(CSC1=NCCS1)N1CCc2ccccc21
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID2031833,COc1ccc(-n2cnc3cc(NCc4ccccn4)ccc32)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID659494,CC1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NC2CCCCC2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1472564,COc1cnc(-c2ccccc2)nc1Oc1ccccc1C
+,,,,,,0.0,,,,,,0.0,,,,,CID653850,CC(=O)OC1CSc2nc3ccccc3n2C1
+,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2191928,CC(=O)Nc1nnc(SCc2cccc(F)c2)s1
+,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,CID652428,O=C(CCCOc1ccccc1)Nc1nncs1
+,,,,,0.0,,,,,,,,,,,,CID9551048,CCCCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID948040,O=C(Cn1cncn1)N/N=C/c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID5308822,Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1-c1ccc(F)cc1
+,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID2998673,CC1CCCCC12NC(=O)N(CC(=O)NCCc1ccccn1)C2=O
+0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,CID745954,Cc1ccc2oc(-c3ccc(NC(=O)CC(C)C)cc3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID3241282,CCOCCCNC(=O)C1c2ccccc2C(=O)N2CCc3ccccc3C12
+0.0,,,,,,,,,,,,,,,,,CID5307244,NC1=NC2=NC(c3ccccc3)CC(c3cccc(Br)c3)N2N1
+,,,,,,,,,,,,,0.0,,,,CID728873,Nc1nc(SCc2ccccc2Cl)ns1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID662732,CCOc1cccc(-c2nnc(SCC(=O)Nc3cc(OC)cc(OC)c3)n2N)c1
+,,,,0.0,,,,,,,,0.0,0.0,,0.0,,CID648489,O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID950191,CCOC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID802683,Cc1ccsc1/C=N/NC1=c2ccccc2=NC1=O
+,,,,,,,,,,,,,0.0,,,,CID1484357,COc1ccnc(Oc2ccc3ccccc3c2)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID4639010,c1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1
+,,,,,,,,,,,,0.0,,,,,CID2231913,CS(=O)(=O)N(CC(=O)NCCSCc1c(F)cccc1Cl)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID1766431,CCCCNC(=S)NNC(=O)c1nn(C)c(C)c1Cl
+,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,CID973570,c1ccc(Cn2ccnc2SCc2nnc(-c3ccccc3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1479489,Cc1nnsc1NC(=O)OCC(C)(C)C
+,,,,,,,,,,,,,,0.0,,,CID2611408,Cc1ccc(CNC(=O)COc2ccc3c(c2)CCC3)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID3244916,CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1
+,,,0.0,,,,,,,,,,,,,,CID4709461,COc1ccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2414928,O=C(CSc1nccc(=O)[nH]1)c1ccccc1Br
+0.0,,,,,,,,,0.0,,0.0,,,,0.0,,CID3000083,COc1ccc(C(C#N)N2CCCCC2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2894140,COc1ccc(NC(=O)C2CCCCN2N)cc1OC
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID664203,COC(=O)COc1nc(C)c(Br)c(OC)n1
+,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,CID644406,COc1ccccc1-c1ccc(Nc2cccc(C(C)=O)c2)nn1
+,0.0,0.0,,0.0,,,,,,,0.0,,,,,,CID2832751,CNC(=O)NC1CCCCc2sccc21
+,,,,,0.0,,,,,,,0.0,,,,,CID2677903,COC(=O)c1ccc(OC(=O)c2ccc(OCc3c(C)noc3C)c(OC)c2)cc1
+0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,,,CID1230972,COc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID5309567,CN(CCCNC(=O)Cn1cc2c(n1)CCCC2)C1CCCCC1
+0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID1222333,Cc1ccc(-c2cc(C(=O)Nc3cc(C)on3)c3ccccc3n2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1950319,CCCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID828944,Cc1cccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c1C
+,,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,CID2366338,N#Cc1ccccc1NC(=O)COC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID2235625,O=C(Oc1cccnc1)c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID2888613,O=C1c2ccccc2NC(c2ccc(-c3ccccc3[N+](=O)[O-])o2)N1c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550508,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NC1CCCCCC1)c1ccc(C(C)C)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2569169,O=C(COc1cc(F)ccc1[N+](=O)[O-])NCCCc1ccccc1
+0.0,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,CID650528,Cc1nc2ncnn2c(Nc2ccc3c(c2)OCO3)c1Cc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1752574,O=C(Nc1ccc2c(c1)OCCO2)c1c(F)c(F)c(F)c(F)c1F
+,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,CID3237333,Cc1csc2nc(CNC(=O)c3ccco3)cn12
+,,,,,,,,,,,,,,0.0,,,CID2489585,O=C(COc1ccc2ccc(=O)oc2c1)N1CCc2ccccc21
+,,0.0,,,,,,,,,,0.0,,,,,CID5308464,CCOC(=O)N1CCN(c2c(NCC3CCCO3)c(=O)c2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID5903185,Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2ccc(N(C)C)cc2)cc1
+0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID3236237,CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)C)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID975983,CN(c1ccc(C(=O)NCc2ccco2)cc1)S(C)(=O)=O
+,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,CID655216,C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1329040,COc1cc(C(=O)Nc2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc(OC)c1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID3190566,COCCCn1c(Cc2csc(Nc3ccccc3)n2)nnc1SCC(N)=O
+,,,,,,,,,,,,,0.0,,,,CID978275,Cc1nnc(NC(=O)c2csc3c2CCCC3)s1
+,,,,,0.0,,,,,,,,,,,,CID1453639,CC(C)C(=O)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID2525820,O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2389179,O=C(CNc1ccccc1-c1ccccc1)NCc1ccccc1
+,,,,,,,,0.0,,,,,,,0.0,,CID3240230,COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
+,,,,,,,,,,,,,,0.0,,,CID829184,Cc1ccc(/C=N/NC(=S)N2CCOCC2)cc1
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID3241979,CCOC(=O)c1ccc2c(c1)N(Cc1ccccc1C)C(=O)c1ccccc1S2=O
+,,,,,,,,,,,,,0.0,,,,CID3215941,COc1cc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C(C)C)cc2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2463636,Cc1cc2oc(=O)cc(CN3CCN(S(=O)(=O)c4cccs4)CC3)c2cc1C
+,,,,,,,,,0.0,,,,,,,,CID2949967,COC(=O)c1cn(CC(=O)N2CCCCC2C)c2ccccc12
+,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,CID2577652,COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2C)CCCC4)o1
+,,,,,,,,0.0,,,,,,,,,CID2483621,C=CCn1c(SCc2c(C(=O)OC)sc(N)c2C(=O)OC)nnc1-c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID1183010,COc1ccccc1OCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1
+0.0,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID798794,COc1ccc(N2CCN(C(=O)COc3ccccc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2098987,COc1ccccc1C(=O)NC(=O)CSc1cccc[n+]1[O-]
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3239772,Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4c(C)noc4C)CC3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2415715,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccccc1O
+,,,,,,,,,,,,,0.0,,,,CID1112460,CCOC(=O)c1sc(NC(=O)CCN2C(=O)c3ccccc3C2=O)c(C(=O)OCC)c1C
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID661332,O=C(O)CC1Sc2nc3ccccc3n2C1=O
+,,,,,,,,,,,,,,,,0.0,CID5307411,CCCCC(CC)CNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,0.0,,,,,,,,,,,,CID991146,COc1ccc(C(=O)CSc2nnc(Sc3nc4ccccc4[nH]3)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID648349,C=CCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID4377126,O=C(Nc1cc(SCCO)cc([N+](=O)[O-])c1)c1ccc(Br)o1
+,,,,,,,,0.0,,,,,,,,,CID1259830,COC(=O)c1ccc(Oc2nc(Nc3ccc(F)cc3)nc(N3CCCC3)n2)cc1
+0.0,,,,,,,0.0,,,0.0,,,,,,0.0,CID3237033,CCOC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,CID2055623,CCCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1
+,,,,,0.0,,,,,,,,,,,,CID6401820,O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2888034,COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1229843,CCc1noc(C)c1C(=O)Nc1nc(-c2cc(C)ccc2C)c(C)s1
+,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,,CID659066,c1coc(CNc2ncnc3c2oc2ccccc23)c1
+,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID1078314,O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)N1CCOCC1
+,,,,,,,,0.0,,,,,,,0.0,,CID654684,CCOc1ccc2nc(NCCNC(=O)Nc3ccccc3)c(C#N)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID1234277,Cc1c(O)[nH]c2ncccc2c1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID2920427,O=[N+]([O-])c1ccc(N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1218685,O=C(COc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2429170,Cc1ccsc1C(=O)OCc1nc(=O)c2ccccc2[nH]1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID327999,O=C(NC(Cc1ccc(F)cc1)C(=O)O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID897932,Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)o1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID1091794,COc1cc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc(OC)c1
+0.0,,0.0,,,,,0.0,,,,,0.0,,,,,CID656100,O=C(NC1CCCC1)C(c1ccccc1F)N(C(=O)c1ccco1)C1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID2233210,Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1Cl
+,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,CID2164301,CCCCC(=O)Nc1ccc(C(N)=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID2916341,CCOC(=O)c1sc(NC(=O)C(CC)Sc2nc3ccccc3[nH]2)nc1C
+,,,,,,,,0.0,,,,,,,,,CID2300634,Cc1cc(NC(=O)C(=O)NCCN2CCN(C(=O)c3cccs3)CC2)ccc1Br
+,,,,,,,,,,,,,,0.0,,,CID1117417,O=C(c1ccco1)N(Cc1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID1084116,CCOC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID4681039,CCN(CC)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCC3
+,,,,,,,0.0,,,,,0.0,0.0,,,0.0,CID2155049,c1nc(NC2CCCCCC2)c2[nH]cnc2n1
+,,,,,0.0,,,,,,,,,,,,CID5349262,O=C(/C=C/c1ccc2c(c1)OCO2)n1cnc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID404502,CCCCCOC(=O)Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1
+,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,CID3237855,COc1ccccc1-n1c(CNC(=O)COc2ccccc2)n[nH]c1=S
+,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID770077,O=C1NC2(CCCCC2)Cc2ccccc21
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID561158,COC(=O)C(Cc1cncn1COCc1ccccc1)NC(=O)OC(C)(C)C
+,,,,,,,0.0,,,,,0.0,,,,,CID646285,N#Cc1c2c(c(NCCN3CCOCC3)n3c1nc1ccccc13)CCCC2
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3243739,O=C(c1ccco1)N1CCN(C(=O)c2ccc(Cn3cc(Br)cn3)o2)CC1
+,,,,,,,,,,,,,,,,0.0,CID650530,Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCCc4ccccc43)c(=O)[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID1431328,O=C(O)COCC(=O)Nc1ccccc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2856001,COc1ccc(NC(=O)C(=O)NCCCn2ccnc2)cc1
+,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID1187349,CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OCC)c1OCC
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID654680,CCOc1ccc(N(CC(=O)NCc2ccccc2OC)S(C)(=O)=O)cc1
+,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID3241488,COc1cccc(NC(=O)Cn2nnc(C(=O)Nc3ccccc3)c2N)c1
+,,,,,,,,,,,,,0.0,,,,CID3288975,CC(Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1)c1ccccc1
+,,,,0.0,,,,,,,,,,,,0.0,CID647959,CCOC(=O)C(C)Sc1nc(-c2ccco2)cc(C(F)(F)F)c1C#N
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID828211,CC(C)(C)c1nc2scc(-c3cccs3)c2c(=O)o1
+,,,,,0.0,,,,,,,,,0.0,,,CID563832,CC(=O)c1cc(C#N)c(SCc2ccccc2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID1009081,COc1ccc(C(=O)Nc2cccc(/C(C)=N/NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1OC
+,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,,CID2618685,CCCNC(=O)NC(=O)CSc1nnc(-c2ccncc2)n1CC
+,,,,,,,,,,0.0,,,,,,,CID1256620,CCOc1ccc(S(=O)(=O)NCc2cccs2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3136959,CCOC(=O)c1c(NC(=O)CSc2nnc(C)s2)sc2c1CCC(C)C2
+,,,,,,,,,,,,,0.0,,,,CID898543,Cc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID9551380,O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC(Cc2ccccc2)CC1
+,,,,0.0,0.0,,,,,,,0.0,0.0,,,,CID660234,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1sccc1C
+,,,,,,,,0.0,,,,,,,,,CID850178,O=c1nc2n(c3ccc(Br)cc13)CCS2
+,,,0.0,,,,,,,,,,,,,,CID5652489,CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2c2ccc(C)cc2C)s1
+0.0,,,,0.0,,,,0.0,,,0.0,,,,,,CID1783486,COCCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1
+,,,0.0,,,,,,,,,,,,,,CID5677269,N#CC(C(=O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)=C1Nc2ccccc2N1
+,,,,0.0,,,,,,,,,,,,0.0,CID647338,Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID601524,CC(=O)Oc1ccc(C(C)=O)c2c1OCCO2
+,,,,,,,,,,,,,0.0,,,,CID2436420,CCOc1ccc(C(=O)NCC(=O)OCC(=O)N2CCCCC2)cc1
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID570276,O=C(Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1)c1ccccc1
+,,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,CID2933795,CCCOc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1
+,,,,,,,0.0,,,,0.0,,,,,,CID650685,CCOC(=O)CCc1c(C)nc(SCC(=O)O)c(C#N)c1C
+,,,,,,,,,,,,,0.0,,,,CID2188292,Cc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3Cl)C2=O)o1
+,,,0.0,,,0.0,,,,,,,,,,,CID661077,CC(C)Cn1c(O)c(C(=O)Nc2ccc(F)cc2)c(=O)c2c1CCCC2
+,,,,,,,,,,,,0.0,,,,,CID3240563,COCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCN(c4ccc(F)cc4)CC3)ccc2c1=O
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID3242887,CCN1C(=O)OC2(CCCCC2)C1(C)O
+,,,,0.0,,,,,0.0,,,,0.0,,0.0,,CID3238272,O=C(O)CC1SC(Nc2cccc(O)c2)=NC1=O
+,0.0,0.0,,,,,,,,0.0,,,,,,0.0,CID2999786,COc1ccc(NS(=O)(=O)c2cccc(-c3nnc4n3CCCCC4)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID11958367,C/C(=N\NC(=O)C(NC(=O)c1ccccc1)C(C)C)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3273324,CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID2864065,O=C(C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1)N1CCCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID3213151,CCCCC(=O)Nc1ccc(NC(=O)c2cccs2)cn1
+,,,,,,,,,0.0,,,,,,,,CID3228554,COCCNC(=O)C(OC(=O)CC1Sc2ccccc2NC1=O)c1ccccc1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID952393,Nc1cccc(Cl)c1N1CCOCC1
+,,0.0,,,,,,,,,,,,,,,CID649581,N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2
+,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID3240915,CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID833951,CCCC(=O)NC(=S)Nc1ccccc1N1CCOCC1
+,,,,,,0.0,,,,,,,,,,,CID646624,COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID3232557,CCOC(=O)C1=C(CN2c3ccccc3CC2C)NC(=O)NC1c1ccccc1
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID1086737,O=C(Nc1ccc2c(c1)CCC2)c1cnccn1
+,,,,,,,,0.0,,,0.0,,,,,,CID854375,CCCc1cc(C(=O)O)c2ccccc2n1
+,,,,,,,,,,0.0,,,,,,,CID1259811,Cn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCc1ccccc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID483860,Clc1nss/c1=N/c1ccccc1
+,,,,,,,0.0,,,,0.0,,,,,,CID5399660,O=C1C=CC(=C2C=CC=C(c3ccc(O)cc3)N2)C=C1
+,,,,,,,,,,,,,0.0,,,,CID1476642,CNc1cc(CSc2ccc(Cl)cc2)nc(C)n1
+,,,,,,0.0,,,,,,0.0,,,,,CID2979076,CS(=O)(=O)c1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1
+,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,,CID3239318,CC1=C(C#N)C(=O)N(CCCO)C(=O)/C1=N/c1ccc(N(C)C)cc1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID650898,Cc1cnc(NC(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)s1
+,0.0,,,,,,,0.0,,,,,,,,,CID2307288,C(=N/n1cnnc1)\c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID684024,CCOC(=O)CSc1nc(C)cc(C)c1C#N
+0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID647143,O=C(CSc1nnnn1C1CCCCC1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,0.0,,,CID1008846,C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccc(NC(=O)c2cccc(Cl)c2)c1
+,,,,,,0.0,,,,,,,,,,,CID885680,CCN(CC)C(=O)COc1ccc(Br)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID3715060,CCOC(=O)C(C(=O)NCc1cccc(OC)c1)c1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,,,0.0,,,,0.0,,,CID3225666,Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(S(=O)(=O)c5ccccc5)C4)nc2-3)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,CID2222016,CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C)c1C
+0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0,CID2669903,O=C(CC1CCCC1)Nc1nnc(C2CC2)s1
+,,,,,,,,,,,,,0.0,,,,CID3154337,CCC(CO)Nc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1[N+](=O)[O-]
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID666142,Cn1c2ccc(F)cc2c2ncn(CCN3CCOCC3)c(=O)c21
+,,,,,,,,,,,0.0,,,,,,CID2976358,Cc1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID4911362,Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCOCC1)n2CCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2846564,COc1ccc(-c2ccccc2)cc1NCc1ccccc1C
+,,,,,,,,,,0.0,,,,,,,CID2943009,Cc1ccccc1C(=O)NCc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C
+,,,,,,,,,,,,,0.0,,,,CID2276163,Cc1ccc(OCC(=O)NC(=S)Nc2cccc(C)n2)cc1
+,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,CID895002,CCCC(=O)Nc1ccccc1-c1n[nH]c(SC)nc1=O
+,,,,,,,,,,,,,0.0,,,,CID891600,COc1ccc2oc(=O)c(C(=O)NCc3ccco3)cc2c1
+,,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID3243358,CCCOc1ccccc1C1CC(=O)NC(C)=C1C(=O)OCC(C)C
+,,,,,0.0,,,,,,0.0,,,,,,CID1465904,CCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID2468599,COC(=O)c1ccc(CO/N=C/c2ccc(OC)cc2)o1
+,,,,,,,0.0,,,,0.0,,,,,,CID782983,CCN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID992681,CCCc1cc2c(cc1NC(=O)c1ccc(Br)cc1)OCO2
+,,0.0,,,,,,,,,,0.0,,,,,CID5308428,CCOC(=O)N1CCC(c2cc(=O)n3[nH]c(C)c(-c4ccc(F)cc4)c3n2)CC1
+,,,,,,,,,,,,,0.0,,,,CID6216024,CC1CCc2sc(C(=O)NNC3=c4ccccc4=NC3=O)cc2C1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2448120,Cc1noc(C)c1C(=O)N1CCCc2ccccc21
+,,,,,,,,,0.0,,,,0.0,,,,CID1246404,Cc1ccc(Cl)c(OCC(=O)NCc2ccco2)c1
+,,,,0.0,,0.0,,,,0.0,0.0,,,,,0.0,CID2955007,O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)C1CCCO1
+,,,,,,,0.0,,,,,,,,,,CID3242558,CC1(C)OC(=O)N(c2cccnc2)C1(C)O
+,,0.0,,0.0,,,,,,,0.0,,,,,,CID2394618,N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2977891,CN(CC(=O)N1CCN(c2ccccn2)CC1)S(=O)(=O)c1ccc(Br)cc1
+,,,,,,,,0.0,,,,,,,,,CID2010630,OCCN(CCO)c1ncnc2c1oc1ccc(Br)cc12
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,CID658507,NC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4
+,,,,,,,,,,,,,0.0,,,,CID1035550,CCOC(=O)c1c(CN2CCOCC2)n(-c2ccccc2)c2cc(Br)c(OC)cc12
+,,,,,,,,,,,,,,0.0,,,CID1472622,O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCOCC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2334609,Cc1cc(NC(=O)CN2CCOCC2)n(-c2nc3ccccc3s2)n1
+,0.0,,,,,,,,,,,,,0.0,,,CID782193,c1ccc(N2CCN(Cc3ccnc4ccccc34)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID4596700,CCOC(=O)C(C)Sc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1
+,,0.0,,,,,,,,,0.0,,,,,,CID648212,Cc1cc(C)n2ncc(C(=O)NCc3cccnc3)c2n1
+,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,,,CID2997597,C=CCn1c(SCC(=O)NC(=O)NCC(C)C)nnc1C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID693357,O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)cc2Cl)s1
+,,,0.0,,,,0.0,,,,,,,,,,CID2092972,Cc1cc(C)n2nc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)nc2n1
+,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,CID2077990,CN(C)S(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2259104,COc1ccc(OCC(=O)NCCCN2CCOCC2)cc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID659528,CCCOc1ccc(-c2nnc(N)s2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1471071,COc1nc(N)c(S(=O)(=O)c2ccc(C)cc2)cc1C#N
+,,,,,,,0.0,,,,0.0,,0.0,0.0,0.0,,CID648179,O=C(c1ccccc1)c1ccc2nc[nH]c2c1
+,,,,,,,,0.0,,,,0.0,0.0,,,,CID893436,O=C(O)c1ccc(COc2cccc(CO)c2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID1736507,CN(C)CCCNC(=O)c1ccc2[nH]c3ccccc3c2c1
+,,,,,,,,,,,,,,,0.0,,CID2405976,O=C(COC(=O)c1ccccc1Oc1ccccc1)NCc1ccco1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID1327421,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCOCC3)CC2)cc1OC
+,0.0,,,,,,0.0,,,0.0,,0.0,,,,,CID3245774,CCCS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1472039,COC(=O)c1c(C(=O)OC)c(-c2ccc(C(C)(C)C)cc2)n2c1CS(=O)C2
+0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,CID2222458,COc1ccccc1-c1cn(S(=O)(=O)c2ccc(C)cc2)nc1N
+,,,,,0.0,,0.0,,,,,,,,,,CID5389716,CCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1
+0.0,,0.0,,0.0,,,,,,,,,,0.0,,,CID3243433,COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)c1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID5310234,O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID3849161,CN(C)c1ccc(/C=N/N2C(=S)SC(C)(C)C2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID1247224,CCc1sc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1Br
+1.0,,0.0,0.0,,0.0,,,,,,,,,,,,CID5308036,Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)on1
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID1254353,COC(=O)c1cc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)ccc1Cl
+,,,,,,,,0.0,,,,,0.0,,,,CID609890,COc1ccc2c(C)c(C(=O)O)oc2c1
+0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID2243363,CCOC(=O)c1ccc(NS(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID824706,COc1ccnc(Oc2ccccc2)n1
+,,0.0,,,,,,,,,,,,,,,CID971615,CCN1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,CID652877,Cc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1
+,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,CID3241539,CCOC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2512344,COC(=O)c1ccc(CSc2n[nH]c(=S)s2)o1
+,,,0.0,0.0,,,,,,,,,0.0,,,,CID1267917,COc1ccc(C(=O)Nc2cc3c(cc2C#N)OCO3)cc1S(=O)(=O)NCc1ccco1
+0.0,0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,CID2855710,C=CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1
+,,,,,,,,,,,,,,0.0,,,CID1254683,C=CCN1C(=O)NC(=O)/C(=C/c2ccc(N(C)C)c(Br)c2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID3821188,CO/N=C/c1cccn1-c1nccc(OC)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID580304,CCc1ccc(NC(=O)C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2947789,CC(C)Cc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1
+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID713952,CC(=O)Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5093816,CN(C)/C=N/c1ncc(C(=O)c2ccc3ccccc3c2)s1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID2854858,CCN(CC)c1ccc(C2C(C(=O)OCCOC)=C(C)NC3=C2C(=O)CCC3)cc1
+,,,,,,,,,,,,,,0.0,,,CID723331,CCc1ccc(S(=O)(=O)N2CCC(C(=O)O)CC2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID841158,COc1ccc(C(=O)/C=C/Nc2ccc(C)cn2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1659194,COc1ccc(-c2c/c(=N\c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3o2)cc1
+,,,,,,,0.0,,,,,,,,,,CID666510,Cc1nc(N2CCN(Cc3ccccc3)CC2)nc2c1C(=O)CCC2
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID2566528,O=C1c2ccccc2C(=O)N1CCCCSc1nnc(-c2ccc(OC(F)F)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID1954324,S=c1[nH]nc(C2CCCCC2)n1/N=C/C(Cl)=C\c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3244437,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc(Cl)cn2)C1
+,,,,,0.0,,,,,,,,,,,,CID3218172,COCCNC(=S)NC1CC2CCCC(C1)N2Cc1cccs1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID894308,CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(OCC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2471334,CCN(CC)C(=O)c1cn(CCC#N)nc1-c1ccc(F)cc1
+,,,,,,,0.0,,,,,,,,,,CID3495594,O=C(c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1F
+,,,,,,,,,,,,,,,0.0,0.0,CID3244113,CCC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID771128,Cn1c(NC(=O)c2ccc(Br)o2)cc(=O)n(C)c1=O
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID647132,COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,0.0,CID660321,Cc1cc(C)c(C#N)c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)n1
+,0.0,,0.0,,,,,,,,,,,,,,CID722140,c1ccc2c(c1)nc(-c1ccncc1)n1nnnc21
+,,,,,,,,0.0,,,,,,,,,CID2190160,COCCNS(=O)(=O)c1ccc(-c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5736857,Cc1c(/C=C/C(=O)c2ccc(O)cc2)cnn1C
+,,,,,,0.0,,,,,,,,,,,CID6398938,CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)c1
+,0.0,,,,,,,,,0.0,,,,,,,CID2967964,CCCSc1nnc2nc(C)cc(C)n12
+,,,,,0.0,,,,,,,,0.0,,,,CID651405,O=C(c1cc2sccc2n1Cc1ccccc1)N1CCc2ccccc21
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+,,,,,,,,0.0,,,,,,,,,CID1438713,CCOC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl
+,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID806688,O=C(CC1CCCCC1)NCc1ccccn1
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID3242939,CS(=O)(=O)NCc1csc(-c2ccccc2)n1
+,,,,,,,,0.0,0.0,,,,,,,,CID3129056,Cc1ccc(Oc2ccc(OCC(=O)OC3CCS(=O)(=O)C3)cc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5389376,Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(F)cc3)C2c2cccc(Br)c2)no1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID5310452,CCc1nc(SCc2cccnc2)c2c(=O)n(C)c(=O)n(C)c2n1
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID2998629,CC(C)CC(C(=O)Nn1cnnc1)N1C(=O)c2ccccc2C1=O
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+,,,,,,,,,,,,,,,0.0,,CID2900783,O=C(Nc1cccc(F)c1)C1CC(=O)N(c2ccc(Cl)cc2)C1
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+,,,,0.0,,,,,,0.0,,,,,0.0,,CID2228580,c1ccc(-n2nnnc2OCCOc2nnnn2-c2ccccc2)cc1
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+,,,,,,,,0.0,,,,,,,,0.0,CID976987,Cc1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
+,0.0,,,0.0,,,,,,,,,,,,,CID3245366,CCCCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
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+,,,,,,,,,1.0,,,,,,,,CID9550113,CCCC1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1
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+,,,,,,,,,,,,,0.0,,,0.0,CID3242126,Cc1ccc(CN2C(=O)CCC2C(=O)NC2CC2)cc1
+,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2555233,Cc1occc1-c1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C
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+,0.0,,,,,,,,,,0.0,0.0,0.0,,,0.0,CID662467,CCOC(=O)C1CCCN(CCC(=O)Nc2c(C(=O)OC)[nH]c3cc(OC)ccc23)C1
+,,,,,0.0,,,,,0.0,,,,,,,CID2533003,COc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1760987,COc1cc2c(OC(C)=O)c3c(c(-c4ccc5c(c4)OCO5)c2cc1OC)C(=O)OC3
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+,0.0,,,,,,,,,,,,,,,,CID751092,COCC(=O)NCc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,,0.0,,CID2192490,COC(=O)C(C(=O)OC)C(C(C)C)C(C(=O)OC)C(=O)OC
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID649708,O=c1c2c(nc3cc(-c4ccc(F)cc4)[nH]n13)CCCC2
+,,,0.0,,,,,,,,,,,,,,CID667393,CC(C)n1cnc2cc(NCc3nc4ccccc4n3C)ccc21
+,,,,,,,,0.0,,,,,,,,,CID1253719,COC(=O)c1cc(OC)c(OC)cc1NC(=S)N1CCC(C(N)=O)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID4049845,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)C2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2476382,O=S(=O)(c1ccccc1)c1nc(NCc2cccnc2)sc1Cl
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID690372,Cc1occc1C(=O)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1401180,CC(C)(C)c1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1
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+,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,CID1247709,Cc1c(C(=O)Nc2cnccn2)oc2ccccc12
+,,0.0,,,,,,,,,,,,,,0.0,CID3237402,CCCN(CCC)C(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2095058,COCCNC(=O)/C(C#N)=C/c1ccc(O)c([N+](=O)[O-])c1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID3237567,O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCCc2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID2764721,COC(=O)c1sccc1-c1ccc(C(=O)Nc2ccccc2)o1
+,,,,,0.0,,,,,,,,,,,,CID2768692,C=CCNC(=O)c1csc(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID1090203,CCN1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1
+0.0,,,,,,,,,,,,,,,,,CID651196,Cc1nc2ncnn2c(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C
+,,,0.0,,,,,,,,,0.0,0.0,,,,CID2524355,O=C(CNC(=O)c1ccco1)NCCCc1ccccc1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID3240435,COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1OC
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID892591,Cc1c(Br)cc(C(=O)OC2CCN(C)CC2)c(C)c1C
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+,,,,,,,,,,,,,0.0,,,,CID2106797,NC(=O)C1CCN(C(=O)CCC(=O)c2ccc(Br)cc2)CC1
+,,,,,,,0.0,,,,,,,,,,CID2918643,COc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2898267,O=S(=O)(NC1c2cccc3cccc(c23)C1N1CCNCC1)c1ccc(Cl)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID666383,Cc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID3642614,O=c1nc2n(c(O)c1C(c1ccc(O)cc1)c1c(O)n3c(nc1=O)SCCC3)CCCS2
+0.0,,,,,,,,,,,,,,,,,CID3245004,COc1cccc(-c2cc(C(=O)Nc3ccc(OC)c(OC)c3)no2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID5389111,CC(NCCO)=C1C(=O)N(C)C(=O)N(C)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2665231,COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)cc1S(=O)(=O)N1CCOCC1
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID3235914,CC1CCCC(C)N1C(=O)c1cc(-c2cccs2)on1
+0.0,0.0,,,,,,,,,,,,,,,,CID5307678,Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccnc4)C3)sc2c1
+0.0,,0.0,,,,,0.0,0.0,,,,0.0,,,,0.0,CID2997526,CC(C)N(c1ccccc1)c1ccc(NC(=O)C2CCCO2)cc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID2929129,CCOc1ccccc1NC(=O)CC1Nc2cc(C)c(C)cc2NC1=O
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID2481579,C=C(C)CN(CC)C(=O)CSc1nc2ncc(Cl)cc2[nH]1
+,,,,,,,,,,,0.0,,,,,,CID1090715,CN(C)c1nc(Nc2ccccc2)nc(N(C)C)n1
+,,,0.0,,,,,,,,,,,,,,CID661346,COC(=O)CC1SC(=O)NC1=O
+,,,,,0.0,,,,,,,,,,,,CID9551437,CCOc1ccc(NC(=O)CCn2c(=O)[nH]c3ccsc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID16189068,COc1c(C)cc(C(=O)C2CCCN(C(=O)c3cccc(F)c3)C2)cc1C
+0.0,,,,,,,,,,,,,,,,,CID3245940,Brc1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1
+,,,,,,,,,,,,,0.0,,,,CID3213453,Fc1ccc(C(c2nnnn2CCc2ccccc2)N2CCCc3ccccc32)cc1
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID664007,Cc1cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)no1
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,,CID403057,Oc1cccc(/C=N/c2c(-c3ccco3)nc3ccccn23)c1
+,,,,,,,,,,0.0,,,,,,,CID2765717,CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/NOCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3395163,CSCCC(NC(=O)COc1ccccc1)C(=O)OCC(=O)c1cc2ccccc2o1
+,,,,,,,0.0,,,0.0,,,,,,,CID664910,CCCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN(CC)CC)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID3246785,CC(=O)c1cccc(NC(=O)NC(C)C2CCCO2)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID750734,COc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1
+0.0,,,,0.0,,,,,,,,,0.0,,,,CID646321,COCCNC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12
+,,,,0.0,,,,,,,,,0.0,,,,CID2434094,O=C(CSC1CCCCC1)Nc1nccs1
+,,,,,,,,,,,,,,,0.0,,CID3245751,O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,0.0,,,,,,,,,,,,,,,,CID3237570,COc1cc2c(=O)n(CC3CCCO3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID2129018,CNS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID3236160,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccccc3Cl)CC2)CC1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID976745,Cc1nc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2s1
+,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,CID898681,Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccco2)c1C
+,,,,,,,,,,,,0.0,,,,0.0,CID965272,CN(C)CCNS(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID3195671,CCCC(c1nnnn1CC1CCCO1)N1CCN(c2nc3ccccc3s2)CC1
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID3242024,Cc1cc(NC(=O)c2cc(-c3ccco3)on2)nn1Cc1ccc(Cl)cc1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1471640,COc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID1307809,Cn1c(=O)c2c(nc(Oc3ccc4c(c3)OCO4)n2Cc2ccc(Cl)cc2)n(C)c1=O
+,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID3238516,O=C(CCn1c(=O)c2sccc2n(Cc2cc(=O)n3ccccc3n2)c1=O)NCc1ccco1
+,,,0.0,,,,,,,0.0,,,,,,,CID5389164,O=C1NC(=O)C(=CNC2CCN(Cc3ccccc3)CC2)C(=O)N1
+,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,CID5307870,CN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)Cc1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID659302,C=CCC1(CN2CCCCCC2=O)C(=O)NC(=O)NC1=O
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID5310770,CC1(C)NC(C)(C)C(N=O)=C2NON=C21
+0.0,,,,,,,,,,,,,,,0.0,,CID5308008,CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID3241984,CCc1ccc(NC(=O)CNS(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID649680,COc1ccccc1N1CCN(C(=O)CSc2ncccc2-c2nc3ccccc3[nH]2)CC1
+0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,,CID3241996,Cc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1
+0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,CID3241552,CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1
+,,,,,,,,,,,0.0,,,,,,CID821599,COc1ccc(C(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3243704,O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)C1CCCCC1
+,,,,,,,,,0.0,,,,,,,0.0,CID650565,O=C(O)C1CCCCC1C(=O)NCCCCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2237560,COCCNC(=O)c1cc2ncc(Br)cn2n1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1484658,Cc1ccc(CSc2nc3c(c(SCC(=O)O)n2)CCCC3)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID649512,COc1cc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c(OC)cc1NC(=O)CN1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID796350,COc1cnn(C(C)(C)C)c(=O)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID894785,CC1(C)CC(NC(=O)CSc2ccccc2)CC(C)(C)N1
+,,,,,0.0,,,,,,,,,,,,CID1463420,COc1cc(NC(=O)CSc2nnnn2Cc2ccc3c(c2)OCO3)cc(OC)c1
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+,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,1.0,,CID719449,CCOC(=O)c1nn(-c2ccc(OC)cc2)c(=O)c2c(N)scc12
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+,0.0,0.0,,,,,,,,,,0.0,,0.0,,,CID2904128,CCOC(=O)C1CCCN(C(=O)c2ccc(OC(C)=O)cc2)C1
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+,,0.0,,,,,0.0,,,,,0.0,,,,,CID649134,CCOC(=O)CCc1nn(C)c(=O)c2ccccc12
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+,,,,,,,,,,0.0,,,,,,,CID750134,CCc1c(C)nc(SCC(N)=O)c(C#N)c1C
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+,0.0,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,CID869802,CCOC(=O)Cn1c(-c2ccccn2)nc2ccccc21
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+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2972834,CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)NC1c1ccc(Cl)cc1
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+,0.0,,,,0.0,,0.0,,,,,,,,,,CID648697,CC(=O)N1CCc2[nH]c3ccccc3c2C1
+,,,,,,,,0.0,,,,,,,,,CID1336737,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(C#CC3(O)CCCCC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1218199,Cc1ccc(C(=O)COc2ccccc2-c2ccccc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2291974,COc1cc(C=O)ccc1OCCCOc1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID2330364,COc1ccc(C(=O)Cn2ccs/c2=N\C(C)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID4584992,O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1181445,Cc1ccc(Cc2cnc(NC(=O)c3ccccc3[N+](=O)[O-])s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID11948754,Cc1ccc(S(=O)(=O)NCC23C=CC(O2)C2C(=O)N(c4ccccc4)C(=O)C23)cc1
+,,,,,,,,,,,,,,0.0,,,CID3460648,CCOC(=O)c1s/c(=N\C(=O)c2ccc(Cl)s2)n(C)c1C
+,,,,,,,,,0.0,,,,,,,,CID1256216,Cc1sc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c(C#N)c1C
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+,,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID2104133,CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc3ccccn23)c(=O)[nH]c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2101073,O=[N+]([O-])c1cccc(NC2=NCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1288879,COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3ccco3)n2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID954600,COc1cccc(OC)c1C(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2890459,COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3242919,COc1ccccc1CNC(=O)c1cc2c(s1)CS(=O)(=O)C2
+,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,CID2649164,CCCCc1ccc(NC(=O)c2c(C)noc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID8143319,Cc1ccccc1C(=O)NCC(=O)NNC(=S)NC(=O)c1ccccc1
+,,,,,,,0.0,,,,,,,,0.0,,CID13067,CCOC(=O)Cc1c[nH]c2ccccc12
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID903830,Cc1nn(C)cc1CNC(=O)c1cccc(Br)c1
+,,,,0.0,,,,,,,,,0.0,,,,CID2371428,CS/C(=N\S(=O)(=O)c1ccc(N)cc1)NS(=O)(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID1352076,COc1ccc(/C=C2\SC(=O)N(c3cccc(O)c3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3984934,CC1CC(C)CN(C(=O)CSc2nc(=O)cc(N)[nH]2)C1
+,,,,0.0,0.0,,,,,,,,,,,,CID3241950,CCc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)n[nH]c2C)c1
+,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID2942699,COc1ccccc1N1CCN(C(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID2537337,O=C(NCCc1ccccn1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
+,,0.0,,,,,,,0.0,,,,,,,,CID2885532,CC(=O)CC(=O)Nc1cccc2c1CCCC2
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID886516,CC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
+,,,,,,,,,,,0.0,,,,,,CID749096,Cc1cc([N+](=O)[O-])nn1CC(=O)NCc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID5109695,CCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=S)N1
+,,,,,,,,,,,,,,,,0.0,CID3236786,Cc1ccc(NC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F)cc1
+,,,,,,,,,,0.0,,,,,,,CID5403659,Cc1sc(N/C=C2\C(=O)C=Cc3ccccc32)c(C#N)c1C
+,,0.0,,,,,,,,,,,,,,,CID661985,Cc1ccc(Cn2ncc3c(N4CCN(Cc5ccc(Cl)cc5)CC4)ncnc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID2969139,CCOC(=O)C(O)(CC(=O)c1ccccc1)C(F)(F)F
+0.0,0.0,0.0,,,,,,,,,,,,,,0.0,CID657776,C=CCOc1nc2c(c(=O)n(Cc3ccc(Cl)cc3)c(=O)n2C)n1C
+,,,,,,,,,,0.0,,,,,,,CID2914567,O=C(NC(Cc1ccc2c(c1)OCO2)C(=O)NC(Cc1ccccc1)C(=O)O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2858454,O=C(O)c1cccc(N2C(=O)C3CC=CCC3C2=O)c1
+0.0,0.0,,,,,,0.0,,,,,0.0,0.0,,,0.0,CID3244463,O=C(c1noc2c1CCCC2)N1CCN(c2ccccc2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID658279,C=C(C)CSc1nc(N)c2c3c(sc2n1)CCC3
+,0.0,,,,,,0.0,,,,,,,,,,CID5309954,CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID746617,Brc1ccc(Nc2nc(-c3cccnc3)cs2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID3241639,O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21)NCC1CCCO1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID653989,COc1cccc(C(=O)Nc2ccc(NC(=O)C(C)(C)C)cn2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID3243412,CCCCN(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C
+,,,,,,,,,,,0.0,,,,,,CID1471936,O=c1[nH]c2cc(Cl)ccc2n(CCNc2ncc(C(F)(F)F)cc2Cl)c1=O
+,,,,,0.0,,,,0.0,,,,,,,,CID9551365,CCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2209680,CSc1ncc(/C=C2/C(=O)NC(=O)N(C)C2=O)cn1
+,,,0.0,,,,,,,,,0.0,,,,,CID2998943,Cc1[nH]c(=S)n(CC2CCCO2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID1083538,Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(Br)cc1
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+,,,,,,,,,,,,,0.0,,,,CID4533256,Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1C
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+,0.0,,,,,,,,,,,,,,0.0,,CID787513,COC(=O)CCc1nc2ccccc2[nH]c1=O
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+,,,0.0,0.0,,,,0.0,,,0.0,,,,,,CID648380,Cc1ccc(NC(=O)Cn2nc(C)c3ccccc3c2=O)c(C)c1
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID664197,Cc1ccc2c(C)nc(NC3=NCN(Cc4ccccc4)CN3)nc2c1
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+,,,,,,,,,,,0.0,0.0,,,,,CID744728,Oc1cc(Cc2ccccc2)cnc1CN1CCCCC1
+,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,,CID976233,O=C(Nn1cnnc1)c1ccccc1-c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID617210,Cc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3239408,CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCCc1ccccc1
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+,0.0,,,,,,,,,,,,,,,,CID3144867,CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1553748,CN1CCN(NC(=O)CN2C(=O)/C(=C/c3ccccc3F)SC2=S)CC1
+,,,0.0,0.0,,,,,,,,,,,,,CID3241911,CCN1CCCC1CNC(=O)c1csc2c1CCCC2
+,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,CID646480,N#Cc1ccc(-c2nnnn2-c2ccc3c(c2)OCO3)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID654218,Nc1nnc(Cc2c[nH]c3ccccc23)s1
+,,,,,0.0,,,,,,,,,,,,CID4145042,Cc1cccc(CCNC(=O)C2CCC(=O)N2Cc2ccc(F)cc2)c1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID649345,COc1cc(NC(=O)c2cc3sccc3n2C)cc(OC)c1
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+,,,,,,,0.0,,0.0,,,,,,0.0,0.0,CID2561495,Cc1ccc2c(COC(=O)c3n[nH]c4ccccc34)cc(=O)oc2c1
+,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID653923,O=C1CCC(C(=O)NCCCn2ccnc2)N1
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID891859,N#Cc1nc(-c2cccs2)oc1N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5310799,CCN(CC)S(=O)(=O)c1ccc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1476083,Cn1c(CNS(=O)(=O)c2ccc(F)cc2)n[nH]c1=S
+,0.0,,,,,,0.0,,,,,,0.0,,0.0,,CID4284206,CCCn1c(CNC(=O)c2cccs2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID812103,O=C(O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2384174,CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(N3CCCC3)c(C)c2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID1784115,CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc(OC)cc3)o2)sc2c1CCC2
+,,,,,,,0.0,,,,,,,,,,CID658927,Cc1ccc(S(=O)(=O)NC(=O)NCc2ccc3c(c2)OCO3)cc1
+0.0,,0.0,,0.0,,,,,,,,,,0.0,,,CID662145,CCOc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2cccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3513308,COc1ccccc1/C=N/N(C(C)=O)c1nc(-c2ccc(F)cc2)cs1
+,,,,,,,,0.0,,,,,0.0,,,,CID2293616,CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2)c1C
+,,,,,,,,,,,,,,,,0.0,CID3242406,COc1cc(C(=O)NCC(c2cccnc2)N2CCN(C)CC2)cc(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID1728632,O=C(O)CCCNS(=O)(=O)c1cccc2nsnc12
+,,,,,0.0,,,,,,,,,,,,CID993470,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)no1
+,,,,,,,,,,0.0,,,,,,,CID1393290,CC(C)C(=O)Nc1nnc(CSCc2ccccc2F)s1
+,,,,,,,0.0,0.0,,,,,,,0.0,0.0,CID655129,COc1ccc(OC)c(NC(=O)CSCC(=O)O)c1
+,0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,CID1646798,Cc1cc(C)nc(NCCCN2CCOCC2)n1
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+,,,,,,,,,,,,,,0.0,,,CID2545080,Cc1ccccc1Nc1nc(N)nc(CSc2nncn2C)n1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID2850338,O=C(Nc1ccccn1)C1COc2ccccc2O1
+,,,,,0.0,,,,,,,,,,,,CID1099100,COCc1cc(C)nc(OCC(=O)N/N=C/c2cccc(OC)c2)c1C#N
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID765667,CSc1ccc(NC(=O)CC(C)=O)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3243696,O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2182451,COc1ccc(N2C(=O)NC(=O)/C(=C/c3cccc(OC(=O)c4cccs4)c3)C2=O)cc1Cl
+,,,,,,,,0.0,,,,,,,,,CID2194383,CCCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID787338,CCOC(=O)Cc1csc(NC(=O)C(C)(C)CC)n1
+,,,0.0,,,,0.0,,,,0.0,,0.0,,,,CID2433797,O=C(CSc1ccccc1C(=O)O)NCc1ccco1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,CID666880,Cc1nc2sc3c(c2c2nc(-c4ccco4)nn12)CCCC3
+,,,,,,,,,,0.0,0.0,,,,,,CID802559,Cc1c(Br)cc(C(=O)N2CCCCCC2)c(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID1001235,Cc1cccc(NC(=S)NNC(=O)c2ccc(Br)o2)c1
+,,0.0,,,,,,,,,,0.0,,,,,CID660848,Cc1ccccc1N1CCN(Cc2c(C#N)c3ccccc3n2C)CC1
+,,0.0,,,0.0,,,,,,0.0,,,,0.0,,CID3239678,CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID542839,Cc1nonc1C(=O)N/N=C/c1ccccc1
+,,,,,,,,,1.0,,0.0,,,,,0.0,CID2870966,O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2cccnc12
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+,,,0.0,0.0,,,,0.0,,,0.0,,,,,,CID2214399,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ncn[nH]1
+,,,,0.0,,,,,,,,,,,,,CID675398,Nc1cccc(NC(=O)c2cccs2)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID1265641,Nc1cc(=O)nc(SCC(=O)NCc2ccccc2)n1CCc1ccccc1
+0.0,0.0,,,,,,,,,,,,,,,,CID3554231,CC1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
+,,,,,0.0,,,,,0.0,,,,,,,CID972788,CC(=O)Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1
+,,,,0.0,,0.0,0.0,,,,,,0.0,,,,CID3245738,CCC(C)(C(=O)NC1CCCC1)N(C(=O)c1ccccn1)c1ccccc1
+,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,CID653568,CCCCn1nnnc1SCC(=O)c1ccc(C)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1359529,CSc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2315922,CC(=O)C(=Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(C)=O
+,,0.0,,,,,,,,,,,,,,,CID5308124,C=CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)oc(=O)n2C
+,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,,CID3237123,CN1C(=O)CSc2ccc(NC(=O)NCc3cccnc3)cc21
+,,,,,,,,,,,,0.0,,,,,CID5389921,CCN(CC)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccccc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID660425,O=C(O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID3245188,O=C(CNC(=O)c1cccs1)NCCN1CCN(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID838630,Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(F)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID2185556,C=CCSc1[nH]c(=O)cc(C)c1C(N)=O
+,,,,,,,,,,,,,0.0,,,,CID2055620,CCOc1ccc(OCCSc2nc3ccccc3o2)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID5307849,Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccc(F)cc1
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+,0.0,,,0.0,,0.0,,0.0,,,,,,,,,CID2983626,O=C(CC1NCCNC1=O)OCc1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID1965190,O=C(NCCOc1ccc(F)cc1)c1ccccc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID669661,Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)nc1
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+,,,,,,,,,,,,,,0.0,,,CID4919114,O=C(O)CC(NC(=O)C1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl
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+,0.0,,,,0.0,,,,0.0,,,,,,0.0,0.0,CID3241496,Cc1cccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID3167738,OCCSc1nc(-c2ccccc2)nc2ccc(F)cc12
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+,,,,0.0,,,,,,0.0,,,,,,,CID658036,CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OCC)C1c1ccco1
+0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,CID644972,CCOc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3OCC)CC2)n1
+0.0,,0.0,,,,,0.0,0.0,,,,,,,,,CID3238231,CCOC(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)n1C
+,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,,CID719029,Cc1cc(C)n2nc(SCC(=O)N(C)c3ccccc3)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID4616002,O=C(Nc1nc(-c2ccccc2)nc2ccccc12)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID6110446,CC(C)CC(=O)NNC1=c2ccccc2=NC1=O
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID1597617,CCCCOC(=O)Cc1c(O)[nH]c2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID9551112,CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID5885717,COCC(C)n1c(C)cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c1C
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+,,,,,,,,,,,,,,,0.0,,CID5307552,O=C(NC1CCN(Cc2ccccc2)CC1)C1CCCN(c2nnc(-n3cccc3)s2)C1
+,,,,,,,,,,,,,0.0,,,,CID2097459,Cc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)cc1Cl
+,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,,CID1299981,Cc1ccc2cccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)c2n1
+,,,,,,,,,0.0,,,,,,,,CID940059,NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID2544580,CN(C)S(=O)(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)ccc1Cl
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID647322,CCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID3240896,Cc1cccc2sc(NC(=O)CCNS(=O)(=O)c3cccs3)nc12
+,,,,,,0.0,,,,,,,,,,0.0,CID5753,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C(C(=O)CO)CCC12
+,,,,,,,,,0.0,,,,,,,,CID3145078,CCOC(=O)Cc1csc(NS(C)(=O)=O)n1
+,,,,,,,,0.0,,,,,,,,,CID2233849,C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Cl)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1090936,CCc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID656004,O=C(NC1CC2CCC(C1)N2C(=O)NC1CCCCC1)NC12CC3CC(CC(C3)C1)C2
+,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,CID837064,O=C(Nc1cccnc1)c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3236633,COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2151109,Cn1/c(=N/C(=O)C2CC2)sc2cc(F)cc(F)c21
+,,,,,,,,,,,,,,0.0,,,CID3138373,CCCCC(=O)NC(=S)NNC(=O)CC#N
+,,,,,0.0,,0.0,,,,,,,,,,CID646595,COC(=O)C1C(c2ccccc2)C(C(=O)N2CCOCC2)C1c1ccccc1
+,,,,,,,,,,,0.0,,,,0.0,,CID5308925,CCOC(=O)C1CCCN(C(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2c(C)noc2C)C1
+,,,,,0.0,,,0.0,,,,,,,,,CID2197373,Cn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID2064396,c1ccc(CCCNc2ncccn2)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID662384,COc1ccc(OC)c(C2=Nn3c(nnc3-c3cccc(OC(C)C)c3)SC2)c1
+,,,,,,,,,,0.0,,,,,,,CID1243260,COc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID912697,Clc1ccc(Cc2noc(Cc3ccccc3)n2)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2270931,Cc1ccc(NC(=O)CCSc2ccccc2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID2102526,Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1
+0.0,0.0,,,,,0.0,0.0,,,,,,,,0.0,,CID2581812,Cc1nnc(SCC(=O)Nc2ccc3c4c(cccc24)CC3)n1C
+,,,,,,,,,,0.0,,,,,,,CID2297002,CC(=O)N(CCCCN1C(=O)c2ccccc2C1=O)c1ccc(C)cc1
+,0.0,,,,,,,,,,,0.0,,0.0,,,CID2199894,C/C=C/c1ccc(OCCCCn2cncn2)c(OC)c1
+,,,,,,0.0,,,,,,0.0,,,,,CID2202278,COC(=O)c1ccccc1NC(=O)Cn1c(=O)oc2ccc(Cl)cc21
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0,CID1253429,COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)C2CCCCC2)cc1Cl
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,,CID2113103,Cc1c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(=O)n(-c2ccccc2)n1C
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID1151859,CCOC(=O)CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID58953,c1ccc2c(CN3CCCCCCC3)c[nH]c2c1
+,,,,,,,,,,,0.0,0.0,,0.0,,,CID2839057,Cc1ccc2c(c1)c1c(n2CC2COC(C)(C)O2)C(=O)CCC1
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+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID2947553,COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(OC)cc2)cc1
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+,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID892565,COc1ccc(-c2nnnn2CCc2ccccc2)cc1
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+0.0,,,,,,,,0.0,,,,,,,,,CID2193197,CCOC(=O)c1nn(-c2ccccc2)c(C#N)c1NC(=O)c1nn(CC)cc1Br
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+,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,CID2229150,O=C(c1ccco1)N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
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+,0.0,,,,,,,,,0.0,,0.0,,,,,CID654491,CCNc1nc(NC(C)C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
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+,0.0,0.0,,,,,,,,,0.0,,,,,,CID646803,Cc1n[nH]c(=O)nc1NC1CCCCC1
+0.0,,,,,,,,,,,0.0,,,,,,CID662116,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CSc1nc2ccccc2o1
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+,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2193377,CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccco2)c1
+0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,CID2999119,CCCCn1c(SCC(=O)N2CCCCC2)nc2cc(S(N)(=O)=O)ccc21
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+0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,,,CID3000037,c1ccn2c(SCc3cn4ccsc4n3)nnc2c1
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+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3242159,CCCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
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+0.0,,,,,,,0.0,,,,,,,,,,CID647813,O=C(CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1F)NCC1CCCO1
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+0.0,,,,0.0,,,,,,,,,,,,,CID3237576,O=C(CCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID654643,Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3)cc12
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+,,,,,0.0,,,,,,,,,,,,CID2080927,O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID3237099,CC(CC(=O)O)CC1=NS(=O)(=O)c2ccccc2N1
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+,0.0,,,,,,,,,,,,,,,,CID893343,CCOc1ccc(NC(=O)Nc2ccc3c(c2)nnn3C)cc1
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+,,,,,,,,,,,,,0.0,,,,CID4594452,O=C(NNS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1sccc1-n1cccc1
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+,,,,,0.0,,,,,,,,,,,,CID3840239,O=c1cc(CO)occ1OCc1cccc(F)c1
+,,,,,,,,,,,0.0,,,,,,CID1254616,COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCOCC2)cc1[N+](=O)[O-]
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+,,,,,0.0,,,,,,,,,,,,CID2881090,Cc1cccnc1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
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+,,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID2570484,Cc1noc(C)c1CSCC(=O)OCC(=O)Nc1sccc1C#N
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID668908,O=C(c1cccnc1)N1CCc2ccccc2C1
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+0.0,,,,0.0,0.0,,,,0.0,,,,,,,,CID2524516,Cc1sc2nc(-c3cccs3)nc(N3CCCN(C)CC3)c2c1C
+,0.0,,,,,,,0.0,,0.0,,,,,,,CID3239679,Cc1ccc(CNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID3240897,Cc1ccc(NC(=O)Cn2cccc2)cc1C
+,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID3239751,CC(C)c1c(C#N)c(N)nc(SCC(=O)c2cc3ccccc3oc2=O)c1C#N
+,,,0.0,,,0.0,,,,,,,,,,,CID821834,COc1ccc(CCNC(=O)c2nc3ncccn3n2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID2760239,Nc1cc(N2CCCC2)ccc1[N+](=O)[O-]
+,,0.0,,,0.0,,,0.0,,0.0,,,,,,,CID3148875,CCCCCn1c(SC(C)C(C)=O)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2094391,N#C/C(=C\c1ccc(C#N)cc1)C(=O)N1CCCC1
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID731971,CCOC(=O)c1nc(Nc2ccccc2)c2ccccc2n1
+,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,CID1081542,Cc1cc(NC(=O)CSc2nc(=O)c(C#N)c(-c3ccccc3)[nH]2)no1
+,,,,,,,,0.0,,,,,0.0,,,,CID1083376,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
+,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,CID656210,Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)O)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1473628,COc1ccc(C(=O)Nc2cc(C(C)=O)c(/C=C/N(C)C)oc2=O)cc1
+,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,CID1316176,O=C(CNS(=O)(=O)c1ccc(F)cc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID865999,CCOc1ccc(-c2nnc(-c3ccccc3)o2)cc1
+,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,0.0,CID598162,O=C(NC1CCCCC1)n1c(=O)oc2ccc(Cl)cc21
+,,,,,,,,,,,,0.0,,,,,CID3163751,COCCN(CCOC)C(=O)CCn1c(=O)oc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID2387137,CC(C)N1CC(=O)C(c2nc(=O)c3ccccc3[nH]2)=C1N
+,,,,,,,,,,,0.0,,,,0.0,,CID1247114,COc1ccc2nc(NC(=O)c3ccc(Br)s3)sc2c1
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID1044828,COc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID776272,O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCc2ccccc2C1
+0.0,,,,,0.0,0.0,,,,,,,,,,,CID2250107,Cc1oc(/N=C/c2cccc3ccccc23)c(C#N)c1C
+0.0,,,,,,,,,,,,0.0,,,,,CID2896870,CCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID775794,O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,,,,,0.0,0.0,CID3240237,Cc1ccc(N(CC(=O)N2CCN(C3CCCCC3)CC2)S(=O)(=O)c2cccnc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID5141879,COc1ccc(C(C)N2CC34C=CC(O3)C(C(=O)OCC(C)C)C4C2=O)cc1
+0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID2094935,Cc1csc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n1
+,,,,,,,,,,,,,0.0,0.0,,,CID2916081,O=c1oc2ccccc2c(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,0.0,,,CID5309574,Cc1nc(C)c2c(=O)n(-c3ccccc3)[nH]cc1-2
+,,,,,,0.0,,,,,,,,,,,CID842481,Cc1ccc(S(=O)(=O)NC(=O)NC(C)(C)C)cc1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID3237482,CCC(CCC(=O)Nc1cccc(C(=O)O)c1)C(=O)O
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID651432,CCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID4556216,Cc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)c([N+](=O)[O-])n1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID2873401,CCCCNC(=O)CC1Nc2ccccc2NC1=O
+,,,,,,,,,0.0,,,,,,,,CID3116071,CCCc1noc2c1/C(=N/O)CC(c1ccccc1)C2
+,,,,,,,,,,,,,,0.0,,,CID3105273,CC(C)Oc1ccc(C2CCC(=O)NC2=O)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5310089,COc1ccccc1N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1
+,,,0.0,,,,,,,,,,,,,,CID715193,Cc1cc(C)n2nc(S(=O)(=O)N(C)c3ccccc3)nc2n1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID847829,CCOC(=O)NCc1ccc(S(=O)(=O)Nc2ccccc2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID744038,Cc1cc(C)n2ncc(C(=O)O)c2n1
+,,,,,,,,,,,,,0.0,,,,CID2212741,COc1ccccc1C(=O)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID980314,CC(=O)Nc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1271305,Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cs2)cc1
+0.0,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,CID2361684,O=C(CSc1ncnc2ccccc12)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID692389,O=C(/C=C/c1ccc(Cl)cc1)NCCc1ccccc1
+0.0,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,CID667034,Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3ccncc3)c(=O)[nH]c12
+,,,,,,,,,,,,,0.0,,,,CID2451375,O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)N1CCN(c2ccccc2)CC1
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID3238786,O=C(O)CC(c1ccccc1)n1cnnn1
+,,,,,,,,,,,,,,0.0,,,CID4800347,Cc1ccc(NC(=O)c2ccc(OCC3CCCO3)cc2)c(C)c1
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID1246572,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(S(C)(=O)=O)CC1
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID2997691,CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)c1ccc4c(c1)OCCO4)(C3)C2
+,,,0.0,,0.0,,,,,,,,,,,,CID3245637,CCN1CCCC1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID2524675,COc1ccc(-c2nnc(SCCOc3cccc(C)c3)n2N)cc1
+,,0.0,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,,CID2094416,COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID4648656,Brc1ccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn23)cc1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID2432140,COc1ccc(Cl)cc1NC(=O)COC(=O)CCNC(C)=O
+,,,,,,0.0,,0.0,,,,,,,,,CID885285,CC(=O)c1ccc(CCCC(=O)O)cc1
+,,,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,CID656385,COC(=O)CSc1nc2cc(OC)ccc2cc1C#N
+,,,,,0.0,,,,,,0.0,,,,,,CID873446,Cc1cccc(C)c1-n1c(C)cc(/C=N/NC(=O)c2ccncc2)c1C
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID774975,COc1ccc2noc3c2c1C(=O)c1ccccc1-3
+,,0.0,,,,0.0,,,,,,,,,,,CID892636,CCN1CCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID875589,O=C(CSCc1ccc(Cl)cc1)N1CCCCC1
+,,,,,,,,,,,,0.0,,,,,CID5771341,CCOc1ccccc1C1C(C(N)=O)=C(C)N=C2N=C(c3cccc(C)c3)NN21
+,,,,,,,,,,,,,,0.0,,,CID2289178,Cc1ccc(CSCCNC(=O)c2ccccc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID2929050,C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,,,,,,,,0.0,,,CID846347,O=C(CCc1ccccc1)NNC(=O)c1ccccn1
+,,,,,,,,0.0,,,,,,,,,CID892104,Cc1nc2ccccc2c2c1C(=O)N(C1CCCCCCC1)C2=O
+,,,,0.0,,,,,,,,,,,,,CID2998107,Cc1cccc(Nc2nnc(SCc3cn4ccsc4n3)s2)c1
+,,,,,,,,,,,,,,0.0,,,CID4084417,O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCOCC1
+0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID2893964,O=C(Nc1ccccc1)N1CCCCC1c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID3594061,Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)n[nH]1
+,,,,,,,0.0,,,0.0,,,,,,,CID5739113,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)c(OC)c2)C1c1ccccn1
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID1248068,Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3)ccc21
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID913909,CCOc1nc(C)ccc1-c1noc(-c2ccncc2)n1
+,,,,,0.0,0.0,,,,,,,,,,,CID5309756,CCn1cc(C(=O)NCCCN2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,0.0,,,,,,0.0,,,,,,,,,,CID2998118,Cc1cccc(N2CCN(C(=O)c3ccncc3)CC2C)c1
+,,,,,0.0,,,,,,,,,,,,CID6619706,O=S(=O)(c1ccccc1)N1CCn2c(nc3ccccc32)C1
+,,,,,,,,,0.0,,,,0.0,,,,CID1259977,COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccccn2)c1
+,0.0,,,,,,,,,,,,,,,,CID3243994,Cc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2C2CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2511304,CCOc1ccc(C(C)=O)cc1COC(=O)c1cccnc1SC
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,0.0,CID2945777,COc1cc(OC)nc(NC(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)n1
+,,,,,,,0.0,,,,,,,,,,CID551934,OC1(CN2CCOCC2)C2CN3CCN(C2)CC1(c1ccccc1)C3
+0.0,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID976280,O=C(Oc1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID714483,Cc1cc(CN(C)C)c(O)c(C2(C)CCCCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID9551247,N#CC1=C2SCC(O)(c3ccccc3)N2C(=O)CC1c1ccccc1F
+,,,,,,,,0.0,,,,,0.0,,,,CID1417861,CCc1c(O)n(-c2ccccc2)c(SCC(=O)NC(C)(C)C)nc1=O
+,,,,,,,,,,0.0,,,,0.0,,,CID1984730,C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cnccn1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID645090,COc1ccccc1-c1nnc(SCC(=O)O)n1C
+,,,,,,,,,,,,,0.0,,,,CID806394,CC(C)OC(=O)c1cccc(-c2ccc(C=O)o2)c1
+,,,,,0.0,,,,,,,,,,,,CID5768680,O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)c1ccccc1
+0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,CID684715,CCOc1ccc(S(=O)(=O)NCc2ccco2)c2ccccc12
+0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID661817,CCOc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(Cc3ccccn3)c(=O)c21
+,,,,,,,,,,,0.0,,,,,,CID5284728,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1
+,,,,,,,,,,,,,0.0,0.0,,,CID842298,Cc1c(/C=N/NC(=O)c2ccc3c(c2)OCO3)cnn1C
+0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID2208966,COCCNC(=O)c1ccccc1NC(=O)COc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1158540,O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)Nc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,,,,,,,,CID1201933,CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)CCC3=O)cc2)CC1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID4122238,N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4282908,COC(=O)N/N=C(\C)c1ccc2ccccc2c1OC(F)F
+,0.0,,,,,,,,,,0.0,,,,,,CID5762165,N#CC1=C(N)NN/C1=C1\C=C2CCCCC2=N1
+,,,,,,,,,,,,0.0,,,,0.0,CID654870,COCC(=O)N(Cc1ccco1)c1nnc(C2CCOC2)s1
+,,,,,0.0,,,,,,,,,,,,CID703438,O=[N+]([O-])c1ccc(Sc2c(-c3ccccc3)nc3ccccn23)cc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID660776,Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCOCC1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID3245433,CCOC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(=O)NCc1ccco1
+,,,0.0,,,,0.0,,0.0,,0.0,,,,,,CID3237796,Cc1csc2ncc(C(=O)Nc3ccon3)c(=O)n12
+,,,,,,0.0,,,,,,,,,,,CID5310884,Cc1nc2nc[nH]c2cc1Br
+,,,,,,,,,,,,,,0.0,,,CID1475678,COC(=O)c1cc2n(n1)CCN(Cc1ccc(C)cc1)C2=O
+,,,,,,,,,,,0.0,,,,,0.0,CID645202,CCC1Oc2ccccc2N(CC(=O)Nc2ccc(OC)cc2OC)C1=O
+0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,,CID791112,Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)c(C)c1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID832838,O=C(O)CCN1/C(=C/C=N/c2ccccc2)Oc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2449844,COc1ccc(C(=O)NCC2(N3CCOCC3)CCCCC2)cc1OC
+,,,,,,,,,,,,,,,0.0,,CID5309289,CCOC(=O)C1=C(C)N=C2N=C(SCc3cccnc3)NN2C1c1ccc(OC)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID1243565,COc1ccccc1NC(=O)CN1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID651961,COc1ccccc1NC(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3520928,CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(c3ccc4ccccc4c3)C2=O)c1C
+,,,,,,,0.0,,,,,,,,,,CID2180707,CCOCCCNC(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1280296,O=C(O)COc1ccc(/C=N/NC(=O)c2ccccc2Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID3845617,O=C(O)c1ccccc1CSc1nc2ccccc2o1
+,,,,,,,,,,,0.0,,0.0,,,,CID1474910,CSc1nc2c(c(OC(=O)c3cccc(C)c3)n1)CCCC2
+0.0,,,,,,,,,,,0.0,,0.0,,0.0,,CID653055,Cc1ccc2oc(=O)n(Cc3ccccc3OC(C)C)c2c1
+,,,,,,,,,,0.0,,,,,,,CID3240449,COc1ccccc1N1CCN(C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)CC1
+,,,,,,,,,0.0,,,0.0,,,,,CID3238818,CCn1cc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c(C)n1
+,,,,,,,,0.0,,,,,,,,,CID3243508,CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)NCC2COc3ccccc3O2)CC1C
+,,,0.0,,,,0.0,,,,,,,,,,CID3244941,O=C(CCN1C(=O)c2cccnc2C1=O)NC1CCCCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID3241120,COc1cc2c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cn(C)c(=O)c2cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID692710,CCSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID2915046,CCC(Sc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1)C(=O)Nc1nnc(C)s1
+,,,0.0,,,,,,,,,,,,,,CID5663378,CCN1C(=O)NC(=O)/C(=C\NCc2cccs2)C1=O
+,,,0.0,,,,,,,,,,,,0.0,,CID666102,COCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2C1c1cccc(O)c1
+,,,,,0.0,,,,,,,,,,,,CID730467,COc1ccc(OC)c(NC(=O)Nc2ccc(Cl)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID1444562,O=C(Nc1ccccc1Cl)NC1(C(=O)N2CCCC2)CCCCC1
+,0.0,,,,,,,,,,,,,,,,CID657642,CN1C(=O)c2ccc(N(C)C)cc2C1=O
+,,,,0.0,,,,,,,,,,,0.0,,CID3243100,O=C(NCc1ccccc1)c1noc2c1CCCC2
+,,0.0,,0.0,,,,,,,,,,,,,CID2213760,O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID874995,Cc1ccccc1NC(=O)CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1329972,COc1ccc(C(=O)Oc2ccc(C(=S)N3CCCC3)cc2)cc1OC
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID5307166,Fc1ccccc1N1CCN(CCCNc2ccc3nncn3n2)CC1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID662465,CCOc1cccc(-c2nnc3sc(COc4ccccc4)nn23)c1
+,,,,,,,,,0.0,,,,,,,,CID2128296,COc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
+,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,CID705460,CC1(C)CC(=O)c2c(Cc3ccccc3)n[nH]c2C1
+,,,,,,,,,,,,,0.0,0.0,,,CID2131628,CN1/C(=C\C=N\NC(=O)c2cccnc2)C(C)(C)c2ccccc21
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID806009,CC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID646884,N#CC1=C(SCc2ccccc2Cl)NC(=O)C(C(N)=O)C1
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID665264,COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCC(N)=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID6620332,Cc1cc(C)c2nc(N3CCC(C(=O)NCCCN4CCCCC4)CC3)sc2c1
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+0.0,,,,,,,,,0.0,,,,,,,,CID784585,CCCN1CCC(N(C)CCc2ccc(OC)c(OC)c2)CC1
+,,,,,,,0.0,,,,,,,,0.0,,CID3237491,CCS(=O)(=O)N1CCCC(C(=O)NCCN2CCC(Cc3ccccc3)CC2)C1
+,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,CID864116,CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O
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+,,,,,0.0,,,,,,,,,,,,CID5344804,Cc1cccc(C(=O)O/N=C(\N)Cc2cccc3ccccc23)c1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID579089,Cc1ncc(CSc2nc3ccccc3[nH]2)c(N)n1
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+,,,,,,,,,,,,,0.0,,,,CID15945480,Cc1ccc(-c2nc(SCC(=O)NCC3CCCO3)c(-c3ccc(C)cc3)[nH]2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID1187398,NS(=O)(=O)c1ccc(NC(=O)c2ccc(Oc3ccccc3)cc2)cc1
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+,,,,,,,,0.0,,,0.0,,,,,,CID1221222,O=C(c1ccc(Br)o1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,0.0,,,,,CID2108046,CCOC(=O)c1cnc2sc3c(n2c1=O)CCCC3
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+,,,,,,,,,,,,,0.0,,,,CID821630,COc1ccccc1C(=O)N/N=C/c1cnc2ccccc2n1
+,,,,,0.0,,,,,,,,0.0,,,,CID1292276,O=C(CS(=O)(=O)Cc1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2474072,COc1cccc(NC(=O)CN(C)CC(=O)Nc2ccc(C)cc2Cl)c1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID3830621,Cn1c(=O)c2c(nc(N3CCCCCC3)n2CCSc2nc3ccccc3o2)n(C)c1=O
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+,,,,0.0,,,,,,,,,,,,0.0,CID652526,CCOc1ccc2nc(NC(=O)COC)sc2c1
+,,0.0,,,,,,,0.0,,,,,,,,CID5389062,CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID3196617,COc1ccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccs2)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID1416928,O=C(CCCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(O)cc1
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+,,,,,,,,,,,0.0,,,0.0,,,CID3840349,CCCCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1
+0.0,,,,0.0,0.0,,,,,,0.0,,,,,,CID3239253,CCN1C(=O)CSc2ccc(C(=O)NC3CCCCC3)cc21
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID851622,Cn1nnnc1SCC(=O)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID731793,O=C(CCN1CCOCC1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID2340325,Cc1ccccc1C(=O)Nc1ccccc1N1CCCCC1
+,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,CID1253393,CS(=O)(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1485130,COc1ccccc1CNC(=O)/C=C/c1cc2c(cc1Br)OCO2
+,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,CID971959,CSc1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID2157789,COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2cccs2)c1
+,,,,,,,,,,,,,,,0.0,,CID3241993,N#CCSC1=Nc2ccccc2C2=NC(CCC(=O)N3CCN(c4ccccc4)CC3)C(=O)N12
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+0.0,,,,,,,,,,,0.0,,,,,0.0,CID662950,Cc1ccccc1-n1c(=O)/c(=C/c2ccco2)s/c1=C(/C#N)C(=O)Nc1ccccc1
+,0.0,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,CID2417050,Cc1nnc(SCc2nnc(-c3ccccc3)o2)n(N)c1=O
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+,,,,,,,,,,,,,,,0.0,,CID649434,CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2c2nccs2)c1
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+,0.0,,,0.0,,,,,,,,,,,,0.0,CID662702,Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(Cl)c1
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+0.0,,,,,,,,,,,,0.0,,,,0.0,CID649423,Cc1ccc(N(CC(=O)NCC2CCCO2)S(C)(=O)=O)cc1Cl
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+,0.0,,,,,,,,0.0,,,,,,,,CID3240458,COc1ccccc1N1CCN(C(=O)C2CC=CCC2C(=O)O)CC1
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+,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0,CID1091486,COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2379640,Nc1nnc(SCCOc2ccc(Br)cc2)s1
+,,,0.0,0.0,0.0,,,,,,,,,,,,CID648819,COc1ccc(C2NCCC3(O)CCCCC23)c(OC)c1OC
+,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,CID974502,COc1cccc(NC(=O)COc2ccccc2C(N)=O)c1
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+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID2970609,CC1CCc2nc(NC(=O)C3CCCO3)sc2C1
+,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,,CID1082971,COC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID657983,CCOC(=O)CSc1nc(N(C)C)nc(N(C)C#N)n1
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+,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,,,CID700941,Cc1cc(C)n(-c2ncnc3sc4c(c23)CCCC4)n1
+,,,,,,,,,,0.0,,,,,,,CID3177979,COCCCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1483723,COc1ccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)cc1
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+,,,,,,,,0.0,,,,,,,,,CID1244642,Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Br)cc2)c(NCc2cccnc2)o1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2367151,c1ccc2oc(SCc3nc4ccccc4s3)nc2c1
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+0.0,,0.0,,,,,,,,,,,,,,,CID5308998,O=c1sc(N2CCN(c3ccccc3F)CC2)nc2ccsc12
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+,0.0,,,,,,,,,,,,,,,0.0,CID4596618,CC(=O)Nc1nnc(-c2ccc3c(c2)CCCC3)o1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2999501,CC1CCCCN1CC(=O)NCc1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,,,,,,,,,,CID2707269,O=C(NCc1ccc(Cl)cc1Cl)c1ccccn1
+,,,,,,0.0,,,,,,,,,,,CID5310211,COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(-c3cccnc3)nc21
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+0.0,,,,0.0,,,,,,,0.0,,,,0.0,0.0,CID2292535,CCCOc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,0.0,CID666989,Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CC(=O)c2ccccc2)n(C)c1=O
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+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2568704,O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1
+,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,CID2974031,CSCCC(NC(=O)c1ccccc1)C(=O)NC1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID2980113,Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)N1CCCc2ccccc21
+,,,,,0.0,,0.0,,0.0,0.0,,,,,,,CID1569343,COCCN(CCOC)Cc1c(C)[nH]c2c(C)c(C)ccc2c1=O
+,0.0,,,,0.0,,,,,,,0.0,,,0.0,,CID655610,COc1cccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
+,0.0,,,,,,,,,0.0,,,,0.0,,,CID652614,c1coc(-c2nnc(-c3cccs3)o2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID648372,CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCC2
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID667177,CCOC(=O)N1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1
+,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,,,CID775250,COc1cc(CNC2CCCC2)cc(OC)c1
+,,,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,CID709712,COc1ccc(-n2c(C)cc(=O)c3c2CC(C)(C)CC3=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID9550126,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3cccc(Cl)c3C)c2)CC1
+,,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID3339810,O=C(O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)CS2
+,,,,,,,,0.0,,,0.0,,,,,,CID789712,COc1ccc(/C=N/n2c(C)cc(C)c(C(N)=O)c2=O)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID799673,Cc1ccccc1C(=O)Nc1ccc(Br)cn1
+,,,,,,,,,,,,,,,,0.0,CID664703,COc1ccc(C2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN(C)C)cc1OC
+,,,0.0,0.0,0.0,,,,,,,0.0,,,0.0,0.0,CID564290,Cc1ccc(OCC(=O)NCc2ccccn2)cc1
+,,,,,,,,,0.0,,,,,,,,CID4215548,Cc1cccc(NC2=C(Cl)C(=O)OC2NC(=O)c2ccccc2)c1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID2088481,O=C(CCCSc1nc2ccccc2s1)NCc1ccco1
+,,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,CID674051,Cc1ccc(-n2nc(C)c3cc(C(=O)O)sc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID808265,CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID326411,O=C(CC1(O)C(=O)Nc2ccccc21)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID5401039,Cc1nc(C)c2c(=O)cc(-c3ccccc3)[nH]c2n1
+,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,CID739172,COC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3106357,CC1CCN(C(NC(=O)c2ccco2)C(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1907095,COC(=O)C1=C(C)N(c2ccccc2)/C(=C\c2ccc(OCC(=O)Nc3ccccc3OC)cc2)C1=O
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3238129,O=C(NC1CC1)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2683950,CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2)ccc1C
+,,,,,,,,,,,0.0,,,,,,CID2219097,CCNC(=O)CN(CCc1ccccc1)S(C)(=O)=O
+,0.0,0.0,,,0.0,,0.0,,,,,,,,,,CID650257,CCCN1C(=O)SC(CC(=O)Nc2ccccc2)C1=O
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+,,,,,,,,,,0.0,,,,,,,CID1996809,COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1OC
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+0.0,,0.0,,,,,,,,,,0.0,,,,,CID3441827,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3cc4ccccc4o3)cc12
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+,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,,CID653314,COC(=O)c1cc(Oc2ccc(C(=O)OC)cc2N)cc(C(=O)OC)c1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3238751,CC1CCN(CCNC(=O)CCS(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID859898,CNC(=O)CSc1nnc(-c2cccs2)o1
+,,,,,0.0,,,,,,,,,,,,CID9550665,CCC(C(=O)NCc1ccccc1OC)n1nc(C)n2c(cc3occc32)c1=O
+,0.0,,,,,0.0,0.0,,,0.0,,,,,,,CID3243568,O=C(NCCCN1CCCC1=O)c1cccc(N2CCCC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID756543,CN(C)S(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1
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+,,,,,,,,0.0,,,,,,,,,CID970393,CCCN1CCC(NC(=O)Nc2ccccc2C(=O)OC)CC1
+,,,,0.0,,,,0.0,,,,,,,,,CID889331,CCCC(=O)Nc1ccccc1NC(=O)C1CCCCC1
+,,,0.0,,,,,,,,,,,,0.0,,CID2953722,COc1ccccc1NS(=O)(=O)c1ccc(O)c(C(N)=O)c1
+,0.0,,0.0,,,,,,,,,,0.0,0.0,,,CID1263272,CCOc1cc(C#N)c(NC(=O)c2ccnn2C)cc1OCC
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+,,,,,,,,,0.0,,,,,,,,CID6346519,COCC1=NNC(=O)/C1=C/Nc1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID993137,CC(=O)c1sc(NC(=O)COc2ccc(Br)cc2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID3245036,O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CC=C(c2ccccc2)CC1
+,,,,,,0.0,,,,,,0.0,,,,,CID5307598,COc1ccc(C)cc1Nc1cc(C)nc2nc(C)nn12
+,,,,,0.0,,,,,,,,,0.0,,,CID1484449,CSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C
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+0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID646776,CCOC(=O)CNC(=O)c1c(C)nn(-c2ccccc2)c1Cl
+0.0,,,,,,,0.0,,,,,,,,,,CID3555454,COc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1
+,0.0,,,,,0.0,,,,0.0,,,0.0,,0.0,,CID1259960,COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)on2)o1
+,,,,,,,,,,,,,0.0,,,,CID756122,CC(=O)c1cccc(NC(=O)c2ccc(OC3CSC3)cc2)c1
+,,,,,,0.0,,,,,,,,,,,CID2958086,O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCCCC2)N1
+,,,,,,,,,,,,,,0.0,,,CID2974536,Cc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID6323667,CCO/C(O)=C1/C(=O)NC(C)=C(Cl)C1=O
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID664193,Cc1ccc2[nH]c3c(NCCCN4CCCC4=O)ncnc3c2c1
+,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,CID654052,CCOC(=O)CSc1ncnc2c1cnn2-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4961625,O=C(CCl)/N=c1\sccn1Cc1cccc2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID1153704,CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1cccc2ccccc12
+,,,,,,,0.0,1.0,,0.0,,,0.0,,0.0,0.0,CID580604,Cc1ccc(OCc2ccoc2C(=O)O)cc1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3230852,COc1ccc(NC(=O)N2CCN(CCC#N)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1487187,COc1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1
+,0.0,,0.0,,,,,0.0,,,,,,,,0.0,CID3236033,CCOC(=O)c1sc2ncn(CC(=O)NCC3CCCO3)c(=O)c2c1C
+,,,,,,,,0.0,,,,,,,,,CID2201249,CCOCc1nnc(NC(=O)c2ccc(OC)cc2)s1
+,,,,,,,,,,,,,,,0.0,,CID5769168,COc1ccc(C2CC(c3ccccc3Cl)N=C3N=CNN32)cc1OC
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2355328,COc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1
+,,,,,,,,0.0,,,,,,,,,CID1900661,O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)Nc1ccccc1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID774178,CC1(C)CC(=O)C(=CNCc2cccnc2)C(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2355490,O=C(COC(=O)CCC(=O)c1cccs1)NCc1ccco1
+,0.0,0.0,,,,,,,,,,0.0,,0.0,,,CID4361104,O=C(COc1ccccc1)NCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2394470,Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)s1
+,,,,,0.0,,,,,,,,,,,,CID1182465,COc1ccc(NC2=C(Cl)C(=O)N(c3cccc(C)c3C)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID757164,CCc1ccc(C(=O)COC(=O)c2cnccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID838622,Cc1ccc(-c2c(C)s/c(=N\C(=O)c3ccco3)n2C)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID5765352,N#C/C(=C\C1CC=CCC1)c1nc2ccccc2[nH]1
+,,,,,,0.0,,,,,0.0,0.0,,,0.0,,CID654351,C=CCn1c(COc2ccccc2)nnc1SCC(=O)O
+,,,,,,,,,,0.0,,,,,,,CID893675,CN(c1ccc(C(=O)N2CCOCC2)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID5860596,CC1CCCCC1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccco1)CC2
+,,0.0,,,,,,,,,,,,,,,CID3238328,CSCCC(NC(=O)C1CCC(C)CC1)C(=O)N1CCN(c2ccccn2)CC1
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID1590983,CC(C)c1nnc(SCc2ccc(CSc3nnc(C(C)C)n3N)cc2)n1N
+,,,,,,,0.0,0.0,,,,,,,,,CID1241577,COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)nc(OC)n1
+,,,,,,,,,,,,,,0.0,,,CID1475763,N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccc(Cl)cc2)c1N
+,,,,,,,,,,0.0,,,,,,,CID2911557,O=c1c2ccccc2[nH]c(=S)n1CC1CCCO1
+,,0.0,,,,,,,,,0.0,,,,,,CID656162,COCCNC(=O)C(c1ccc(F)cc1)N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
+,,,,,,,,0.0,,,0.0,,,,,,CID3235619,CCCCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1
+0.0,,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,CID2123726,COc1cc(OC)c(NC2=NCCCCC2)cc1Cl
+,,,,,,,,,,,,,,,0.0,,CID5307255,CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)n1
+,,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,CID1151712,CCCS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID753293,CC12CN3CC(C)(CN(C1)C31CCOCC1)C2=O
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID1190372,O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCN(c2ccccc2)CC1
+,,0.0,,,,,,,0.0,,,,,,,,CID5195489,COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2ccc(O)cc2)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID2957415,CC(=O)c1nc(N2C(=O)C3CC=C(C)CC3C2=O)sc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2482888,Cc1nc(SCC(=O)NCc2cccs2)nc(C)c1C
+,,,,,,,,,,,,,,0.0,,,CID2963406,O=C(c1ccco1)N1N=C(c2ccc3nccnc3c2)CC1c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID712286,CCOc1nc(OCC)nc(-n2cc(-c3ccccc3)nn2)n1
+,,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,CID662136,CCCCOc1ccc(N2C(=O)CC(N(O)c3ccccc3)C2=O)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID1079187,CCc1cc(=O)oc2cc(OCC(=O)N3CCCc4ccccc43)ccc12
+,,,,,,,,,,,,0.0,,,,,CID3245068,Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCC4(CC3)OCCO4)cc12
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1096315,CCN(CC)S(=O)(=O)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID648242,O=C(NC1CC1)c1ccc(S(=O)(=O)NCC2CCCCC2)cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID2111771,Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
+0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,,,CID664368,O=C(CN1CCC2(CC1)OCCO2)c1c[nH]c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID846816,O=C(O)CN(c1ccccc1F)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3700352,CC(=O)Nc1ccc(Oc2ncccn2)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID2189824,C=CCN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)NC1=S
+,,,0.0,,,,,,0.0,,,,,,,,CID663689,CC(=O)C1C2C(=O)N(Cc3ccccc3)C(=O)C2C2c3ccccc3C=CN12
+,,,,,0.0,,,,,,,,,,,,CID5347948,Cc1ccccc1/C=N/N1CCN(Cc2ccccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID970291,COC(=O)c1ccc(NC(=O)CSCc2ccc(C)cc2)cc1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID2998745,Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)n1Cc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID5760438,Cc1ccc(N2C(=O)NC(=O)/C(=C/Nc3ccc(Br)cn3)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID827694,C/C(=N\OCC(=O)Nc1ccc(C)cc1C)c1cccs1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID2941965,COc1nc(N)nc(NC23CC4CC(CC(C4)C2)C3)n1
+,,,,,,,,,,,,,,0.0,,,CID3163250,COc1cccc2c1OCC(C(=O)O)C2
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID666127,CCCCn1c(CN2CCN(CCO)CC2)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID6469244,CCN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID707687,CCOC(=O)c1c(N)nn(C(C)=O)c1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2388958,Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1N
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1294737,CN1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID9551431,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCOC)c21
+,,,,,,,,,,,,,,0.0,,,CID612236,CCCSc1nsc(SCCC)c1C#N
+,,,,,,,,,0.0,,0.0,,,,,,CID2224559,COc1ccccc1CNC(=O)c1ccccc1N
+,,,,0.0,,,0.0,,,,,,,,,,CID935294,Cc1cc(S(=O)(=O)NC2CCCC2)ccc1F
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID3239306,COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)c(OC)c1
+,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,CID655028,O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NCC1CCCO1
+,,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,CID1246933,O=C(c1cc2c(s1)CCCC2)N1CCC2(CC1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID843190,Cc1ccn2c(NC(=O)c3ccccc3)c(-c3cccs3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID3484015,COc1ccc(-c2nc(C)ncc2/N=N/c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID755177,Cc1cc(N2CCOCC2)nc(-c2ccc(Br)cc2)n1
+,,,,,,,,,,,,,0.0,,0.0,,CID2862190,CSCSC1=C(C#N)C(c2ccc(Cl)cc2)C(C(C)=O)=C(C)N1
+,,0.0,,,,0.0,,,,,,,,,,,CID239155,CN(C)c1ccc(/C(=N/O)c2ccccc2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID547830,COC(=O)CCS(=O)(=O)c1ccc(Cl)c(Cl)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID5309231,CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccncc4)ccc3n2)CC1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID666934,Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)CC(c1ccco1)C3
+,,,,,,,,,,0.0,,,,,,,CID9550395,Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCN4CCOCC4)nn3c2C)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3242524,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCc3ccccc32)CC1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID3245418,O=C(CCNS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)NCc1cccnc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID851384,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2997978,O=C1OCCC1Sc1nnc(-c2cccs2)n1Cc1ccccc1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID663704,CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID2416482,CCc1nc2ccccc2c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C
+,,,,,,,,,,,,,0.0,,,,CID2175336,O=C(O)/C=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID3242878,O=C(CCn1c(=O)oc2ccccc21)Nc1ccon1
+,,,,,0.0,,,,,0.0,,,,,,,CID942254,CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1N
+,,,,,,,,0.0,0.0,,,,,,,,CID881366,Cc1ccccc1CNC(=O)c1ccccc1C
+,,,,,0.0,,,,,,,,,,,,CID663748,CCOc1ccccc1C1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1846162,COc1ccc(-c2c(C)n([O-])c3c([n+]2=O)CCCC3)c(OC)c1
+,,,,,,0.0,,,,,,,,,,,CID659338,O=c1[nH]c2cnccc2n1-c1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,,CID654564,Cc1ccc(NC(=O)CS(=O)CC(=O)Nc2cccc(C)c2C)cc1F
+,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,0.0,CID1243763,O=C(NCc1ccc2c(c1)OCO2)c1cc(-n2cnnc2)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID5346178,Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c1
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID660822,CCCn1c(O)c(C(=O)Nc2nccs2)c(=O)c2c1CCCC2
+0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0,CID2951576,CC1(C)CC(=O)C2=C(C1)NC(SCC(=O)Nc1ccccc1)=C(C#N)C2c1ccco1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID1318940,COc1ccc(N(CC(=O)Nc2cccc(SC)c2)S(C)(=O)=O)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2823309,O=C(NNC(=O)c1ccc2ncccc2c1)c1ccc(Cl)cc1
+,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,,CID656187,CCc1nnc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)s1
+,,,,,,,,0.0,,,,,,,,0.0,CID659821,O=C(Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1)N1CC2CC(C1)c1cccc(=O)n1C2
+,,,,,,,,,,,,,,0.0,,,CID1080100,Cc1ncc([N+](=O)[O-])n1Cc1ccccc1
+,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,CID2912319,N#Cc1cn(CC(=O)NCC2CCCO2)c2ccccc12
+,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID2104995,O=C1CN(C(=O)COC(=O)Cc2ccsc2)c2ccccc2N1
+0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,,CID659662,COc1ccc2c(c1)c(C(O)CN1CCC3(CC1)OCCO3)c(C)n2C
+0.0,,,,,,,,,,,,,,,0.0,,CID2053516,CCN(CC)CCN(CC)Cc1ccccc1Br
+,,0.0,,,,,,,,,,,,,,,CID5742491,CCN(CC)S(=O)(=O)c1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID3237121,O=C(O)CSCCC(=O)Nc1ccc(F)cc1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID974715,Cc1c(Cl)cccc1NC(=O)CCCN1C(=O)CCC1=O
+,,,,,,,,,,,0.0,,,,,,CID1389857,CC(C)CNc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3
+,,,,,0.0,,,,,,,,,,,,CID786883,CCOC(=O)c1c(C)n(Cc2ccccc2Cl)c2ccc(O)cc12
+,,,,,,,,,,,,,0.0,,,,CID2944432,CC(C(=O)NCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID2970451,CCOC(=O)c1cc(NC(=O)C2CCCO2)cc(C(=O)OCC)c1
+0.0,,,,,,,,0.0,,0.0,,0.0,,,,,CID648667,COc1ccc(Cn2c(C3CC3)nc3ccc(NC(C)=O)cc3c2=O)cc1
+,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,CID3244900,Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCCC3=CCCCC3)ccc2n(C)c1=O
+0.0,0.0,,,,,,,,,,,,,,,,CID5309387,CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,0.0,,,0.0,,,,,,,,,,,,,CID660799,CSc1nc2nc3c(c-2c2nn[nH]n12)CCCC3
+,,,,,,,,,0.0,,,,,,,,CID842867,CC(C)CNC(=O)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
+,,,,0.0,,,,,,,,,,,,0.0,CID3243815,COc1ccccc1NC(=O)CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1
+,,,,,,,,,0.0,,,0.0,,,,,CID209941,CCC(=O)c1ccc(OCCN2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3105141,O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1c1ccncc1
+0.0,,,,,,,0.0,,,,0.0,,,,0.0,,CID662000,Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccc(F)cc1)C(C#N)=C(N)O2
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID3241200,COc1ccc(-n2c(=O)cc(N3CCc4ccccc43)[nH]c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2898567,COc1ccc(NC(=O)C(OC)c2ccccc2)cc1Cl
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID730783,COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
+0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,,CID663731,COCCCNc1oc(-c2ccccc2OC)nc1C#N
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID651130,COc1ccc(OC)c(NC(=O)c2cc3sccc3n2C)c1
+,,,,,,,,,,,,0.0,,,,0.0,CID1286955,Cc1c(NC(=O)CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID5040422,COc1ccc(C2c3c(ccc4ccccc34)Oc3ncn4nc(CO/N=C/c5ccccc5)nc4c32)cc1
+,,,,,0.0,,,,,,,,,,,,CID1234247,Cc1n[nH]c(=S)c2nn(-c3ccccc3)c(C)c12
+,,,,,,,,,,,0.0,,,,,,CID2913909,CCS(=O)(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1
+,,,,,,,,,,,0.0,,,,,0.0,CID925975,Cc1ccc(C(=O)N2CCCCCC2)cc1Br
+,,,0.0,,,,0.0,,,,,,,,,,CID801055,CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC3
+0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID2085737,Cc1ccc2nc(CSc3nnc(-c4ccco4)o3)cc(=O)n2c1
+,,,,,,,,,,0.0,,,,0.0,,,CID5310021,CC(=O)C(Sc1ccc2nnc(-c3ccc(C)cc3)n2n1)C(C)=O
+,,,,,,,,,,,,,0.0,,,,CID1489174,O=C(c1ccc([N+](=O)[O-])cc1)N1C=CC(C(F)(F)F)=NCC1
+,,,,,0.0,,,,,,,,,,,,CID729101,Cc1cccc(C(C)C)c1NC(=O)c1cc2ccccc2o1
+,,,,,,,,0.0,,,,,,,,,CID3103780,CCCOc1ccc(C(C)=O)cc1CSc1nc(O)cc(=O)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID2186495,CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)cc2)c1
+,,,0.0,,,,,,,,,,,,,,CID3243910,Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID2531261,CN(Cc1cccs1)S(=O)(=O)c1cccs1
+,,,,,,,,,,0.0,,,,0.0,,,CID590694,CCOC(=O)c1[nH]c(C)c(C(=O)C(C)C)c1C
+,,,,,,,,,,,,,,0.0,,,CID7150639,Cc1cc(OC(=O)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1992025,CCOC(=O)c1c(NC(=O)/C=C\C(=O)O)sc(C)c1-c1ccccc1
+0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,CID663846,COCCOC(=O)c1c(C)oc2ccc(O)c(CN3CCC(C)CC3)c12
+,,,,,,,,,,,,,,0.0,,,CID5398465,CCN(CC)Cc1c(O)c(Cl)cc2c(C)cc(=O)oc12
+,,,,,,,,,,,0.0,,0.0,,,,CID1476749,O=C(c1ccccc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
+,,,,,0.0,,,,,,,,,,,,CID835829,CCOc1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)cc1
+,,0.0,0.0,,,,,0.0,0.0,,,,,,,,CID805012,O=C(Sc1nnnn1C1CCCCC1)c1cccs1
+,0.0,,,,0.0,,,,,,0.0,,,,,0.0,CID663797,COc1cccc2[nH]c3c(N4CCC(C)CC4)ncnc3c12
+0.0,,0.0,,,,0.0,,,,,,,0.0,,,,CID893394,CCCn1nnc(NC(=O)COc2ccccc2Cl)n1
+,,,,,,,,,,0.0,,,,,,,CID5158944,CCS(=O)(=O)NCc1ccc2c(c1)cc(C)n2C
+,,,,,,,,,,,,,0.0,,,,CID1447686,COc1cccc(-c2csc(N3CCN(C(=S)Nc4cccc(C)c4)CC3)n2)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307350,COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Br)cc3)on2)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID649967,COc1cccc(Nc2ncccc2C(=O)O)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2862888,Cn1c(NC(=O)C2CCCO2)cc(=O)n(C)c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID824460,C/N=c1\scc(-c2ccc(Br)cc2)n1C
+,,,,,0.0,,,0.0,,,,,,,,,CID1595670,CCCC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2108273,CCc1cccc(CC)c1-n1c(SCc2cc(=O)n3ccsc3n2)nnc1-c1cccnc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1225055,CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(Br)o3)cc2)CC1
+,,,0.0,,,,,,,,,,,,,,CID895247,CCOc1ccccc1Oc1ccc(C(F)(F)F)cn1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,CID651392,Cc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
+0.0,,0.0,,,,,,,,,,,,,,,CID2963148,Cc1ccc(N2CC(C(=O)N3CCc4ccccc43)CC2=O)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID2920903,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC
+,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID654863,O=C(CN(Cc1cccs1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID1582691,O=C(CCCOc1ccccc1)Nc1ccc(Cl)cn1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID2222394,Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID652866,O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccccc1
+0.0,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,CID650026,Cn1c(C(=O)OC(C(=O)NC2CCCC2)c2ccncc2)cc2sccc21
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1291204,Nc1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID764432,FC(F)(F)c1cccc(N2CCN(Cc3cccnc3)CC2)c1
+,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,CID987772,COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc(OC)c1OC
+,,,,,,,0.0,,,,,0.0,,,,,CID1941210,NC(=O)C1CCN(C(=O)CN2CCCc3ccccc32)CC1
+,,0.0,,,,0.0,,,,,0.0,,,0.0,,,CID719199,Cc1nc2c(nnn2Cc2ccccc2)c(=O)n1-c1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID5309033,O=c1nc2n(c(O)c1Cc1ccccc1O)CCCS2
+,,,,,,,,,0.0,,,,,,,,CID2961263,Cc1ccc(C(=O)N2CC(C)OC(C)C2)c(Cl)c1
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID655784,CN(C(=O)c1ccncc1)c1nnc(-c2cccnc2)s1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,CID963193,COC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID2370583,CC1CCN(C(=O)COC(=O)c2ccc(Br)o2)CC1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID2999073,Cc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID2058790,CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1
+,0.0,,,,,0.0,,0.0,,,,0.0,,,,,CID570153,CC(=O)c1n[nH]nc1NC(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID9551209,COCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2ccccc12
+,,,,,,,,,,0.0,,,,0.0,,,CID2871878,c1ccc2c(c1)ncn2CCOCCOCCn1cnc2ccccc21
+,,,,,,,,,,,,0.0,0.0,,,,CID2126116,CCn1nc(C(=O)OCc2c(C)noc2C)c2ccccc2c1=O
+,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,CID2882535,COc1ccc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2546993,Cc1ccc2c(CC(=O)OCc3cc(=O)n4c(n3)sc3ccccc34)coc2c1
+,,,,,,,,,0.0,,,,,,,0.0,CID5309300,COC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID3124560,CC(=O)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
+,0.0,,,,,,,,,,,,,,,,CID2101738,CCN(CC(=O)NC(=O)NCc1ccco1)Cc1nc(=O)c2ccccc2[nH]1
+0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,CID2952938,CC1CC2(CC(C)(C(=O)CSc3n[nH]c(-c4ccccc4Cl)n3)OC2=O)C(=O)O1
+,,,,,0.0,,0.0,0.0,0.0,,,1.0,,,0.0,,CID296003,O=c1oc(-c2ccco2)nc2ccccc12
+,,,,,0.0,,,,,,,0.0,,,,,CID661351,COC(=O)CCC(=O)COc1ccccc1C#N
+,,,0.0,0.0,0.0,,0.0,,,,,,,,,,CID649834,CCc1cc(C(=O)c2ccccc2OC)c(N)s1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1001022,Cc1cc(C)n(C(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)n1
+,,,,,,0.0,,,,,,,,,,,CID5310019,CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1
+,,,,,,,0.0,,,,,,,0.0,,,CID658803,COc1ccccc1C(=O)NCC(=O)n1nc(C)cc1C
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID646615,CCOC(=O)c1c(C)c2c(n1C)CCC/C2=N\O
+,0.0,0.0,,,,,,,,,,,,,,,CID1502353,CCNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1
+0.0,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID646460,Cc1nnc(SCC(=O)NC2CC2)n1CCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID6401690,c1ccc(-c2nnc(-c3ccccc3)c(-c3c[nH]c4ccccc34)n2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID1048410,COc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1NC(=O)C(C)C
+,,,,,,,,0.0,,,,,,,,,CID785642,Cc1ccccc1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1
+,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID3240696,COc1ccc2nc3sc(C(=O)N4CCN(C)CC4)cc3cc2c1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID1247756,O=C(c1cc2ccccc2oc1=O)N1CCC2(CC1)OCCO2
+,,,,0.0,,,,,,,,,,,,,CID656374,CC(=O)/N=c1\sc2ccccc2n1C
+,,,0.0,,,,0.0,,,,,,,,,,CID3239309,CCCCOc1ccc(OC(=O)c2cccnc2)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID3245554,N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID3139400,Cn1c(=O)c2c(nc(NCC3CCCO3)n2Cc2ccccc2)n(C)c1=O
+0.0,0.0,,,,,,,,,,,,,,,,CID3235697,O=S(=O)(NCc1ccccn1)c1cccc2nsnc12
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID647035,CN(C)S(=O)(=O)c1ccc2c(c1)C(CC(=O)O)OC2=O
+,,,,,,,,,,,,,,0.0,,,CID2458389,CCNC(=O)CN(c1ccccc1OC)S(=O)(=O)c1cccs1
+0.0,,,,,,,,,0.0,,,,,,,,CID12117,C/C(=N\c1ccccc1)Nc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9550231,COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID1255757,Nc1nc(CSc2nnnn2-c2ccc(Cl)cc2)nc(N2CCOCC2)n1
+,,,,,,,0.0,,,,,,,,,,CID2877498,CN1C(=O)CC(N2CCN(CC(=O)N3CCCC3)CC2)C1=O
+,,,,,0.0,,,,0.0,0.0,0.0,,,,,,CID735963,CCc1ccc2oc(-c3cccc(N)c3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID2089572,O=C(CCSc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1
+,,,0.0,,,,,,,,,,,,,,CID4148376,CCOC(=O)c1ccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID3243446,CC(C)(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2161709,CCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID1264532,O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID659791,CCCc1nc2ccccc2c(=O)n1-c1ccccc1OC
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2085771,COc1ccc(C(C)(C)C)cc1NC(=O)c1cncc(Br)c1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID664078,COc1cccc(OCc2nc3ncc(Br)cc3[nH]2)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID3658297,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1ccsc1
+,,,,,,,,,,,,,0.0,,,,CID2390665,S=C(NCc1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,,,,,,,,CID825464,CC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1Cl
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID3154007,CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3849748,O=C(C/C=N/OCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID4592510,CCCC(=O)NC(C)c1nc2ccccc2n1C(C)C
+,,,,,,,,,,,0.0,,,,,,CID670803,CC(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID972178,O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID6617289,CN(CCO)c1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+](=O)[O-]
+0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,,CID1067713,O=C(Nc1c(C(=O)Nc2ccccc2)cnn1-c1ccccc1)c1ccco1
+,,0.0,,,,,,0.0,,,,,,,,,CID998899,O=C(CN1CCN(Cc2ccccc2)CC1)N1CCCc2c1c(=O)oc1ccc(O)cc21
+,,,,,,,,,,,,,,0.0,,,CID3851498,c1ccc2nc3c(cc2c1)CCCCCC3
+,,,,,,,,,0.0,,,,,,,,CID1314065,CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc3ccccc23)cc1
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID3236040,CCn1c(=O)cc(OCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
+,0.0,,,,,,,0.0,,0.0,,,,,,0.0,CID714434,COCc1cc(C)nc2sc3c(=O)n(Cc4ccco4)nnc3c12
+,,,,,,,,,0.0,0.0,,,,,,,CID4053939,O=C(Nc1cccc(O)c1)c1noc2c1CCCCC2
+0.0,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID1017311,O=C(c1ccccc1)N1CCN(c2ccc(NCc3ccc4c(c3)OCO4)cc2)CC1
+,,,0.0,,,,,,,,,,,,0.0,,CID647255,CC1Cc2cc(C(=O)O)ccc2O1
+,,,,0.0,,,,0.0,,,,,,,,,CID2094713,O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID2142225,O=c1[nH]c(Nc2ccccc2)cc2ccccc12
+,,,,,0.0,,,,,,,,0.0,,,,CID1075288,Cc1cc(C)cc(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID2964454,CCOc1ccccc1N1CC(C(=O)Nc2ccc(C(=O)O)cc2)CC1=O
+,,,,,0.0,,,,,,,,,,,,CID1973918,COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1N
+,,,,,,,,,,,,,,0.0,,,CID696656,O=S(=O)(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID5217717,CC1CCCCN1C(=O)CSc1nc(-c2ccccc2)cn1N
+,,,,,0.0,,,,,,,,,,,,CID5347033,Cc1ccc(-c2[nH]n3c(=O)cc(-c4ccc([N+](=O)[O-])cc4)nc3c2C)cc1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID3238698,COCCCNC(=O)CS(=O)Cc1nc(-c2cccc(OC)c2)oc1C
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID741344,CCOC(=O)c1ccc(CSc2nnc(C)n2N)o1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID5308137,Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
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+,,,,,,,,,,,,,,0.0,,,CID5871285,COC1=C/C(=C/NNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C=CC1=O
+,0.0,,,,,,,,,,,,,,,0.0,CID654180,CCOC(=O)Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O
+,0.0,,0.0,,,,0.0,,,,,,0.0,,,,CID667021,CC(C)(C)OC(=O)N1CCCC1C(=O)NCC1CCC(C(=O)O)CC1
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+0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,,,CID661182,O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CCCCCC1
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+,0.0,,,,0.0,,,,,,,,,,,,CID3238312,CCn1cc(C(=O)NCC(=O)OC)c2cc(OC)c(OC)cc2c1=O
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+0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID802603,Cc1nonc1NC(=O)c1ccccc1Br
+,0.0,,,,,,,,,,,,,,,,CID3236318,COCCCNC(=O)CCc1nc2cccnc2n1Cc1ccc(OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID870369,O=C(NCc1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,0.0,,,,,,,CID893661,CS(=O)(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
+,,,,,,,,,,,,,,0.0,0.0,,CID750354,CC(=O)c1c(C)[nH]c(C)c1C(C)=O
+,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,0.0,CID1074695,COc1ccccc1N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
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+,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID648696,Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)c(C)c1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID3242757,COCCNC(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1
+0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID645200,OC1(c2ccccc2F)CCN(Cc2nnc(-c3ccccc3)o2)CC1
+,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID649851,CC(=O)Nc1nnc(Cc2ccccc2)s1
+,0.0,,,0.0,,,,0.0,,,,,,,0.0,0.0,CID653941,COCCN(C(=O)c1csnn1)C(C(=O)NC1CCCCC1)c1sccc1C
+,,,,,,,,,,,,,,,0.0,0.0,CID5308111,CCOc1ccc(-c2nc(CSCC(=O)N3CCN(c4cccc(OC)c4)CC3)c(C)o2)cc1
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+,,,,,,,,,,,,,,,,0.0,CID5310301,O=C(CSc1ccc2nnc(-c3cccs3)n2n1)N1CCOCC1
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+,0.0,0.0,,,,,0.0,,,,,,,0.0,,,CID2952245,CC1CCCCC1NC(=O)CSc1nnc(CN2CCOCC2)n1C
+,,,,,,,,,,,,,,0.0,,,CID2148156,CCCCN(C)C(=O)c1cc2cc([N+](=O)[O-])cc(OC)c2oc1=O
+,,,,,,,,0.0,,,,,,,,,CID4463724,COc1cc(C2NC(=S)NC(C)=C2C(=O)OC(C)C)ccc1OC(C)C
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3158306,CCC(=O)Nc1nnc(SCCOC)s1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID928629,COC(=O)c1ccc(CC(=O)c2ccc(O)cc2O)o1
+0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,CID73324,Cc1cccc(C)c1N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,0.0,,,,,,,CID98466,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID666615,COc1cc(C2CC(=O)c3cnc(N4CCN(Cc5ccccc5)CC4)nc3C2)cc(OC)c1OC
+,,,,,,,,,,,,,,,,0.0,CID5307731,CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID3237921,COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1
+,,0.0,0.0,,,,,,,,0.0,,,,0.0,,CID666821,Cc1cccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c1
+,,,,,,,,,,,,,0.0,,,,CID786570,O=c1c2cc(Br)ccc2[nH]c(=S)n1-c1ccccc1
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+,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,CID659433,O=C(O)CCN1C(=O)C(=C2CCCCCC2)SC1=S
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+,,,,,,,,,0.0,,,,,,0.0,,CID2951130,Nc1nc(SCC(=O)NCC2CCCO2)n[nH]1
+,,,,,,,,,,,,,,0.0,,,CID6342697,CC1=NOC(=O)/C1=N\Nc1c(Cl)cccc1Cl
+,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0,CID2546266,O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NC1CC1
+,,,,,,,,,,,,,,0.0,,,CID1485427,COc1cccc2cc(-c3ccnc(=S)[nH]3)oc12
+0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,CID1295907,CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2)CC1
+0.0,,,,,0.0,,,,,,,,,,,,CID5307685,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NC3CC3)sc21
+,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,CID2238285,O=C(NCCc1ccccc1)c1cc2ncc(Br)cn2n1
+,,,,,,,,,,0.0,,,0.0,,,,CID1176079,O=C(c1cccs1)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1
+0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,CID650039,COc1cccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4C)C3)n2)c1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID5309285,CN(C)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCN(c3ccccn3)CC1)cn2C
+,,,,,,,0.0,,,,,,,,,,CID5389138,COc1ccccc1N1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O
+0.0,,,,,,,,,,,0.0,0.0,,,,0.0,CID3236353,Cc1ccc(-c2noc(CCC(=O)NCC3CCN(Cc4cccc(C)c4)CC3)n2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID1082797,Cc1ccc(C(=O)NCc2ccccn2)c(Cl)c1
+,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,CID752301,Cc1cc(C)nc(SCC(=O)N2CCC(C(N)=O)CC2)n1
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID5307640,COc1cccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)c1
+,,,0.0,,,,,,,,,,,,,,CID663493,CCCn1c(=N)c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID2941853,CC(=O)NC(C)C12CC3CC(CC(CC(=O)O)(C3)C1)C2
+,,,0.0,0.0,0.0,,,,,,,,,,,,CID658455,O=C1CSC(=O)N1CCOCCN1C(=O)CSC1=O
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID992270,Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OCC(N)=O
+,,,,,,0.0,,,,,,0.0,0.0,,0.0,,CID714029,N#Cc1nc(COc2cccc(Cl)c2)oc1N1CCCC1
+,,0.0,,,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,CID650227,O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1C(=O)O
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID2086716,CCCn1c(SCC(=O)c2ccc(CC)cc2)n[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID2839865,C/C(NCC(C)(C)C)=C(/C#N)C(N)=O
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID410075,O=c1nc2ccccn2c(O)c1-c1ccccc1
+0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0,,CID1822868,Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nc1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2351321,O=C(CCSc1ccc(Br)cc1)Nc1cccnc1
+,,,,,,,,,0.0,,,,,,0.0,,CID2901220,CCN(CC)C(=O)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1191881,c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1507230,COC(=O)Cn1c(=O)c(=O)n(CC(=O)OC)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID2961994,CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1c2sc2nc(C)cc(C)c12
+,,,,,0.0,,,,,,0.0,,,,,,CID1023144,COc1ccc(/C=N/NC(=O)c2cc(-c3ccccc3OC)nc3ccccc23)cc1COC(C)=O
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID659991,COc1ccccc1N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
+,,,0.0,,,,,,,,,,,,,,CID3235599,CCCN1CCN(C(=O)CCCNC(=O)Cn2cnc3sc(C)c(C)c3c2=O)CC1
+,,,,,,,,,0.0,,,,,,,,CID1243598,O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(F)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2865926,Cc1[nH]nc(N2CCCCCC2)c1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID1132911,Cc1cccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2244352,C=CCNC(=O)C(=O)N/N=C/c1cccc(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID2365371,COc1ccc(/C=N/N2CCOCC2)cc1OCc1ccccc1
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID2130720,Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1
+,,,,0.0,,,,,,,,,,,,,CID1315081,CCOc1ccc(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5389891,C/C(Cl)=C\Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID855907,Cc1ccc(C(=O)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2766398,COC(=O)c1cn(Cc2cccnc2)c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID6577948,O=C1NC(Cc2ccccc2)C(=O)N1CCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID737912,Cc1ccc(Nc2cc(=O)[nH]c(=O)[nH]2)cc1C
+,,,,,,,,,,,,0.0,,,,,CID667160,COc1cccc(C2OC(=O)c3ccccc3N2C(C)=O)c1OC(C)=O
+,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,0.0,CID974019,N#Cc1c(-c2ccco2)[nH]c(SCc2ccc(F)cc2)nc1=O
+,,0.0,,,,,,,,,,,,,,0.0,CID648087,CCCN1CCN(C(c2cc3cc(OCC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2360417,O=C(CSc1nccc(=O)[nH]1)Nc1ccc(F)c([N+](=O)[O-])c1
+0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,CID2354012,COc1ccc2nc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID3146299,O=[N+]([O-])c1ccc(Nc2ccccc2F)nc1
+,,,,,,0.0,,0.0,0.0,,,,0.0,,,,CID778296,COc1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
+,,,,0.0,,0.0,,,,,,0.0,0.0,,,0.0,CID683700,Cc1cc2c(c(Sc3ccccc3)n1)C(=O)OC2
+,,,,,,,,0.0,,,,,,,,,CID654120,FC(F)(F)c1nc2nncn2c2c1CCCCC2
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID1262149,C=CCn1c(SCC(=O)c2ccccc2)nnc1-c1cc2ccccc2o1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID3238248,Cc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID2998257,Cn1c(/C(C#N)=C2/CCCCCN2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID9551592,CC12CC(=O)NC1N(C(=O)c1cccc(C(F)(F)F)c1)C(c1ccccc1O)C2
+,0.0,0.0,,0.0,,,,,,,,0.0,,,,,CID2854637,C=C(C)CSC1=C(C#N)C(c2ccccc2)CC(=O)N1
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,,CID1254653,COc1ccc(OC)c(S(=O)(=O)n2nnc3cc(Cl)ccc32)c1
+,,,,,0.0,,,,,,,,,,,,CID1605164,C=CCOc1ccc2c(C)c(CC)c(=O)oc2c1
+0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,CID892034,Cn1c(=O)n(C)c2cc(NC(=O)c3cc4ccccc4o3)ccc21
+0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,CID2852738,Cc1cccc(Cl)c1OCCCCn1ccnc1
+,,,,,,,,,,,,,,0.0,,,CID16188566,COC(=O)c1ccc(CN2CCN(C(C)C)C(CCO)C2)cc1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID1887941,O=C1CC(c2cccs2)CC(=O)C1=CNCCN1CCNCC1
+0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,,,CID2998866,CCOc1ccccc1N1CC(C(=O)Nc2ccccc2N2CCOCC2)CC1=O
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID606590,O=c1cc(-c2ccc(Cl)cc2)[nH][nH]1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1521267,Brc1ccc(-c2noc(COc3ccc4c(c3)CCC4)n2)o1
+,,,,,,,,,,,,,,,0.0,,CID665892,COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
+,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,CID4094173,Cc1cc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)no1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID3243325,CC1CCN(CCCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)CC1
+,,,,,,,,0.0,,,,,,,,,CID735783,O=C(O)CCC(=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,,0.0,,,,,,,,CID804161,CC(=O)Nc1c(O)nc(SCC(=O)Nc2cccc(C)c2)[nH]c1=O
+,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,CID2233105,COC(=O)c1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
+,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,CID2097383,CCC(CC)NC(=O)c1n[nH]c(=O)c2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID2950198,CC(C)c1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID1040061,Cc1cc(C(=O)Nc2ccccc2)oc1C
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID2223617,COc1cc(CN2CCN(CCOCCO)CC2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID16189613,CCOC(=O)C1(CC2CC2)CCN(Cc2cc(Cl)c(O)c(OC)c2)CC1
+,,,,,,,,0.0,,,,,,,,,CID3210696,Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2cccs2)cc1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2846520,CC(CCc1ccc(O)cc1)N(C)CCc1ccccc1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID858777,CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(C)cc1)OCO2
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2232040,O=C(CNC(=O)c1ccc(Br)o1)Nc1cccc(-c2cnc3ccccc3n2)c1
+,,,,,,,,,,,,,0.0,,,,CID1017676,COc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1
+,,,,0.0,,,,,,,,,,,,,CID767427,CNc1cccccc1=S
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID668899,COc1ccc(NC(=O)c2cccnc2)c(OC)c1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID3239757,COc1ccc(OC(=O)c2ccncc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID1099219,O=C(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID5308431,O=C1CCCC2=C1C(c1cccc(Br)c1)N1NC(c3ccco3)=NC1=N2
+,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID645566,C=CCOC(=O)C1=C(C)Nc2sc(C#N)c(N)c2C1c1ccco1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID1228476,CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccco2)c1
+,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID2970261,Cc1occc1C(=O)NC1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3157885,CC/N=C1\SC(CC(=O)NC(C)c2ccccc2)C(=O)N1CC
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+,0.0,,,0.0,0.0,,,,,,,,,,0.0,,CID3240224,COc1ccccc1NC(=O)CCc1nc(-c2cccs2)no1
+,,,,,,,,,,,,,0.0,,,,CID2827568,Cc1ccc2c(c1)sc(C)[n+]2CCCS(=O)(=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID708536,COc1ccc2c3c([nH]c2c1)C(=O)CCC3
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+,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,,CID640708,CCOC(=O)c1nc2ccccc2s1
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+,0.0,,,0.0,,,,0.0,,,,,,,0.0,,CID652358,Cc1cc(NC(=O)CCCC(=O)NCc2cccs2)no1
+,,0.0,,,,,0.0,0.0,,0.0,,,,,,,CID1262885,COc1ccc2oc(C(=O)C3CC3)c(NC(=O)CCCN3C(=O)c4ccccc4C3=O)c2c1
+,,,,,,,,,,,,,0.0,,,,CID2381244,O=C(O)/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1
+,,0.0,,,,,,0.0,,,,,0.0,,,,CID665487,CC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID16189301,CC(=O)N1C(=O)/C(=C2\SC(=S)N(NS(=O)(=O)c3ccc(C)cc3)C2=O)c2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID2492562,Cc1c(C(=O)NN2CCOCC2)oc2c1ccc1ccccc12
+,,,,,,,,,0.0,,,,0.0,,,,CID2998934,CCC1CCc2sc(C(=O)O)cc2C1
+,,,,,,,,,,,0.0,,,,,,CID947561,CCN(CC)S(=O)(=O)c1cccc(-c2cn3cc(C)ccc3n2)c1
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+,,,,,0.0,,0.0,,,,,0.0,,,,,CID595655,O=C(O)c1coc2ccccc12
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+0.0,,,,,,0.0,0.0,0.0,,,,,,,,,CID653612,COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\O
+0.0,,,,,,,,,0.0,,0.0,,,,,,CID649928,COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cc(C)ccc1C
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+,0.0,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,CID1256251,COc1ccc(NC(=O)Nc2c(C)n(-c3ccccc3)c(=O)n2C)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID841131,COc1ccc(C(=O)O/N=C(\C)c2ccccc2)cc1
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+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3236360,Cn1ccnc1SCC(=O)c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID2271342,CCOc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OS(=O)(=O)c1ccccc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID1733715,Cc1cc(OCC(=O)NCCO)cc(C)c1Cl
+,,,,,,,0.0,,0.0,,,,,,,,CID3240616,CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(F)cc3)C(C)C)ccc21
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+,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID1247454,O=C(Nc1ccon1)c1csc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID3210781,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2cccs2)no1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,0.0,CID659738,Cc1ccc(-c2ccc(/C=N/c3ncn[nH]3)o2)cc1Cl
+,,0.0,,,0.0,,,,,,,,,,,,CID3237816,Cc1cc2nc(C)n(CCCNC(=O)Nc3ccc(C#N)cc3)c2cc1C
+,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID2998165,O=C1NC2=C(C(=O)CCC2)C(c2ccc3ncccc3c2)N1
+,,,,,,,,,,,,,0.0,,,,CID1959712,COC(=O)c1ccc(NC(=S)Nc2cccc(C)n2)cc1
+,,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID2335574,CCOc1ccc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)sc2c1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5308471,CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
+0.0,0.0,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,CID646906,Clc1ccc(CSc2nnc(Cn3cnc4ccccc43)o2)cc1
+0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,CID682894,Cc1ccc(-c2nc3s/c(=C\c4ccco4)c(=O)n3n2)cc1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2997916,CC1Cc2ccccc2N1C(=O)CSC1=NCCS1
+0.0,,,,,,,,,,,0.0,,,,,,CID834727,COc1cc(C(=O)O)cc(Br)c1OC1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID5706876,Cc1cccc(N/C=C/c2onc(C)c2[N+](=O)[O-])c1
+0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,,,CID645571,Cc1ccc(/N=C(/c2cccs2)N2CCOCC2)cc1
+0.0,,0.0,,,0.0,,,,,,,,,,0.0,,CID3235742,COc1ccc(-c2nnc3ccc(SCC(=O)NCc4ccco4)nn23)cc1OC
+0.0,,,,,,,0.0,,,,,,,,,,CID653148,c1ccc(Nc2cc(-c3ccccc3)nc3ncnn23)cc1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID654030,CC(=O)Nc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID9550944,COC(=O)C1=C(C)N/C(=C/c2ccc(O)c(OC)c2)C1=O
+,,0.0,,0.0,,,,,,,,,,0.0,,,CID3245147,CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)C1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2927125,O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1
+,,,,,,,,,0.0,,,,,,,,CID2954815,COC(=O)c1cc(NC(=O)CC2NC3CCCCC3NC2=O)cc(C(=O)OC)c1
+,,,,,,,,,,0.0,0.0,,,,0.0,,CID658955,CC1CN(C(=O)N2c3ccccc3Sc3ccccc32)C(C)CC1=O
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,CID1289607,COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID1262637,Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc2ccccc2o1
+,,,,,0.0,,,,,,,,,,,,CID568024,CC(C)(C)N1CC2(c3ccccc3)CN(C(C)(C)C)CC(c3ccccc3)(C1)C2=O
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+,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID85307,Cc1ccc(-c2nc3cc(C)ccc3o2)cc1
+,,,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,CID658150,COC(=O)c1ccccc1/N=C(\SC)N(C)C
+0.0,,,,,,,,,,,,,,,0.0,,CID3243359,O=C(NCCN1CCOCC1)c1cc(-c2ccc(Br)cc2)on1
+0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,CID714012,Cc1nc2cccc(C(=O)NCc3ccccc3)c2o1
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+,,,,,,,,,,,0.0,,,,,,CID973866,Cc1cc(NC(=O)c2cc(-c3ccccc3)on2)no1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID3241506,Cc1cc(NC(=O)c2noc3c2CCCC3)n(-c2ccccc2)n1
+,,,0.0,,,,,,,,,,,,,,CID5310564,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)NCC1CCCO1
+0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,CID719348,O=C(Nc1cccc(Cl)c1)c1ccncc1
+0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID658690,COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1
+,,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,CID3245350,COc1cccc(NC(=O)Cc2cn(C)c3ccccc23)c1
+,,,0.0,,,,,,,,0.0,,,,,,CID945142,CC(=O)c1cnc(Nc2nc(C)c3cc(C)ccc3n2)nc1C
+0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,,CID662381,Cc1ccc(-c2noc(CNCCCN(C)C)n2)cc1
+,,,,0.0,,,,,,,,,0.0,,,,CID3242039,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCN(Cc3ccccc3)CC2)o1
+,,0.0,,,0.0,0.0,,,,,,,,,,0.0,CID651070,Cc1c(Cl)cccc1NC(=O)CCN1CCCC(C)C1
+,,,,,0.0,,,,,,,,,,,,CID11958534,Cc1ccc(CNC(=O)C2CC(c3cccc([N+](=O)[O-])c3)=NO2)o1
+,,,,,,,,,,,,,0.0,,,,CID616498,Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C
+,,,,,,,,,,,,0.0,,0.0,,,CID2971267,Cc1cnc(NC(=O)C2CCCO2)s1
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+,,,,,,,,0.0,,,,,,,,,CID3238517,O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCC2(CC1)OCCO2
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3236055,CCN(C(=O)COc1cc(=O)n(CC)c2ccccc12)c1cccc(Cl)c1
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+,,,,,,,,,,,,0.0,0.0,,,0.0,CID5389221,CCCc1nc2ccccc2c(=O)n1NC=C1C=CC(=O)C=C1
+,,,,,,,,,0.0,,,,0.0,,,,CID1487778,Clc1ccsc1-c1ccc2ccccc2n1
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+0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID654563,CC1CCN(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)CC1
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+,,,,,,,,,,,,,,0.0,,,CID1115484,Cc1cc(=O)oc(C)c1C(=O)OCC(=O)c1ccc(Br)cc1
+,,,,,,,,,0.0,,,,,,,,CID2841363,COc1cc2c(cc1OC)C(c1ccccc1O)N(C1CC(=O)N(c3ccccc3)C1=O)CC2
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+,0.0,,,,,,,,,0.0,0.0,,,,,,CID3237304,O=C1CCCc2[nH]nc(-c3cccnc3)c21
+,,,,,,,,0.0,,,,,,,,,CID2827718,COc1ccc(N2C(=O)CC(SCC(=O)O)C2=O)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1388811,Cc1ccc(C(=O)c2no[n+]([O-])c2C(=O)c2ccc(C)cc2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2772172,O=C(CCl)N(c1ccccc1)C1CCS(=O)(=O)C1
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+,,,,,,,,,,,,,,,0.0,,CID223050,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc2c(c1)OCO2
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+,,,,,0.0,,,,,,,,,,,,CID3173832,Fc1ccc(C(c2nnnn2C2CCCC2)N2CCc3ccccc32)cc1
+,,,,,,,,,0.0,,,,,,,,CID3157270,CC1CC(NS(=O)(=O)c2cccs2)CC(C)(C)C1
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+,,,,,0.0,,,,,,,,,,,,CID1910341,CCCCc1c(O)n(-c2ccccc2C)c(SCC(=O)NC(C)(C)C)nc1=O
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID798077,CC(C)N(C(=O)Nc1ccc2nccnc2c1)C(C)C
+,,,,,,,0.0,,,,,,,,,,CID5307267,CCCCN(C)CCNC(=O)Cn1c(=O)sc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2526756,COC(=O)c1c(Cc2ccccc2Cl)c[nH]c1C
+,,,,,,,,0.0,,,,,,,,,CID705419,FC(F)(F)C1=CC(c2ccccc2)=NCCN1
+,,,,,0.0,,,,,,,,,,,0.0,CID785375,COCc1cc(C)nc(N2CCOCC2)c1C#N
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+0.0,,,0.0,,,,,0.0,,0.0,,,0.0,,0.0,,CID954362,CC(C)n1c(CCC(=O)O)ccc1-c1ccccc1
+0.0,,,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,,CID839901,CCSc1nnc(NC(=O)CCc2ccccc2)s1
+,,,,,,0.0,,,,,,,,,,,CID3094918,Cc1ccc(C)c(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID1438773,CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1Cl
+,0.0,0.0,,,,,,,,,,,,,,,CID2958396,c1ccc(-c2nnc3n2NC(c2ccc4c(c2)OCO4)S3)cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID2475600,O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1nccs1
+,,,,,0.0,,,,,,,0.0,,,,0.0,CID2962059,CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(C)c(Cl)c3)CC2)cc1
+,0.0,,,0.0,,,,0.0,,,0.0,,,,,,CID2301870,O=S(=O)(NCCSc1nnnn1-c1ccccc1)c1cccs1
+,,,,,,0.0,,,,,,0.0,,,,,CID2859186,N#CCCn1c(C(C#N)(CCC#N)CCC#N)nc2ccccc21
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID942721,COc1ccccc1Nc1nc(N)nc(CN(C)C2CCCCC2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID775729,COc1ccc(OC)c(NC(=O)c2c3c(nc4ccccc24)CCC3)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID662848,Cc1c(-c2ccccc2)nc(N)c(C#N)c1-c1ccco1
+,,,,,,,,,,0.0,0.0,,,,,0.0,CID3244120,CN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID2484307,CCCNC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1023213,CCSc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)s1
+,,,,,,,,,,,,,,0.0,,,CID1424069,O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
+,,,,,,,,,,,0.0,,,,,,CID844487,CCn1nc(C)c(NC(=O)/C=C/c2cnn(C)c2C)c1C
+0.0,,,,,,,,,,,,0.0,,,,,CID3242817,CCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
+,,,0.0,,,0.0,,,,,,0.0,0.0,,,,CID646585,CC(C)CC(OC(=O)c1cccs1)C(=O)NCc1cccs1
+,,,0.0,0.0,,,,,,,,,,,,,CID3245572,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)C4C5C=CC(C5)C4C3=O)c2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID2926550,CC(c1ccccc1)N1CNc2c(c(=O)n(C)c(=O)n2C)C1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID2967179,OCc1nc2ccccc2n1CC(O)Cn1ccc2ccccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID1917784,CCC1(CC)Cc2ccccc2-c2[nH]c(NCCO)nc(=O)c21
+,,,,,,,,,,,,,0.0,,,,CID2316503,CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2cccnc2)SC1=S
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID5310755,O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID2985091,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(C)CC3)n2)cc1
+,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID661240,Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccccc2)s1
+,,,,0.0,,,,,,,,,,,,,CID3244298,Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID2843981,CCC(C)c1c(O)nc(SCc2ccccc2)[nH]c1=O
+,,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID1613687,CC(=O)NCC(=O)OCC(=O)c1ccc(C)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,CID644804,COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1
+0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,,CID660024,CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1
+,0.0,,,,0.0,0.0,,,,0.0,,0.0,,,,,CID648959,Cc1ccc(-c2noc(C3CCN(C(=O)Nc4ccc(C#N)cc4)CC3)n2)o1
+,,0.0,,,,,,,,,,,,,,,CID5310506,Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCc1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID5308095,Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)n1
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,,CID3235744,COc1ccccc1NC(=O)C(O)C(O)C(=O)Nc1ccccc1OC
+,0.0,,0.0,,,,,,,,,,,,,,CID624478,COc1cccc(-c2cn3nc4c(nc3n2)CCCC4)c1
+,,,,,,,,,,,,,,0.0,,,CID7207356,CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3cccnc3)nn2)c1
+0.0,,0.0,,,0.0,,1.0,,,,,,,,,,CID3240391,COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1
+,,,,,0.0,,,,,,,,,,,,CID6617580,CC(=O)N1CC(=O)N(OCc2ccccc2)C1c1ccc(Cl)cc1Cl
+,,0.0,0.0,,,,,,,,,,0.0,,,0.0,CID651769,O=C(CNC(=O)c1ccco1)OCc1c(F)cccc1Cl
+,,,,,0.0,,,,,0.0,,,,,,,CID6620326,CC(C)CN(CC(C)C)c1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3238046,O=C(CN1CCN(CCC(=O)Nc2ccccc2F)CC1)Nc1ccc(Cl)cc1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID3244330,Cc1cccc(-c2nc(CSCC(=O)NCCCN3CCOCC3)c(C)o2)c1
+,,,,,,,,,,0.0,,,,,,,CID2618781,CCn1c(SCC(=O)NCC(=O)Nc2ccc(F)cc2)nnc1-c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID7120760,CCOC(=O)c1s/c(=N/C(=O)/C=C/c2ccccc2)n(C)c1C
+,,,,,,,,,,,,,,0.0,,,CID881269,COC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1390611,Cc1cc(-c2n[nH]c(=S)n2/N=C/c2cccs2)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID1959629,CCCOc1ccc(Cc2c(COCC)[nH]c(=S)[nH]c2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID692360,COC(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID1190420,O=C(NCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccs2)CC1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID2955385,COc1ccccc1NC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID3111269,O=C(NCCCN1CCOCC1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID4208847,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(Cc2ccccc2Cl)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID662157,CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,0.0,,,,,,,,,,CID2956096,O=C(NC(Cc1ccccc1)C(=O)NCc1ccccn1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5707816,CCOC(=O)CSC1=NC(=O)/C(=C\c2ccc(-n3cncn3)cc2)N1
+,,,,,0.0,,,,,,,,,,,,CID1553911,CCOCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID2583892,O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCc2ccccc2C1
+0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID777296,COc1cc(C(=O)N2CCN=C2c2ccccc2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID1911669,COc1ccc(OC)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])s3)C2=O)c1
+,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID3155818,CCCOC(=O)c1ccc(OCC(O)Cn2c(C)nc3ccccc32)cc1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,,,CID662322,CC(C)OC(=O)CSc1nnc(-c2ccncc2)n1N
+,,,,,,,,,,,,,,,0.0,,CID3244845,Cc1cccc(-n2c(CNC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)n[nH]c2=S)c1
+0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,CID661205,CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S
+,,,,,0.0,,,,,,,,,,,,CID2880981,CCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID3229,CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)nc21
+,,,,,,,,,,,,,,0.0,,,CID3603333,CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
+,0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,CID1096899,Nc1ccnn1Cc1cccnc1
+,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,CID878458,CCOc1cccc(C(=O)Nc2nnc(-c3cccs3)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID2349949,Cc1ccc(Cl)cc1NC(=O)COC(=O)CC(C)(C)C
+,,,0.0,,,,,,,,,,,,,0.0,CID663430,CCC(C)C(NC(=O)NCc1cccc(OC)c1)C(=O)O
+,,,,,,,,,,,,,,,,0.0,CID2203609,COCCNC(=O)c1cc(Br)ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID328968,O=C1NCC(COc2ccc(Cl)cc2)O1
+,,,,,,,,,,,0.0,,,0.0,,,CID828309,Cc1cccc(C(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID5389913,C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccc(OC)c(OC)c2)C=C1
+,,,,,,,,,,,,,,,,0.0,CID3241422,c1ccc(CC2CCN(c3nc4ccccc4n4nnnc34)CC2)cc1
+0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID660073,Cn1c(N)c(C#N)c(C#N)c1-c1ccccc1
+0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,CID2630279,CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nnnn1C
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID784748,CCOC(=O)c1c(OCC)[nH]c2c1cc(O)c1ccccc12
+,,,,,,,,,0.0,,,,,,,,CID2971206,CC1CCc2cc(F)ccc2N1C(=O)C1(C)CC1(Cl)Cl
+0.0,,,,,,,,0.0,,,,0.0,,,,,CID562753,O=C(O)c1ccc(C2SCC(=O)N2Cc2ccccc2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID893527,CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,0.0,,,,,,,,,,,,,,,CID661833,C=CCc1cccc(CNc2nc3ccccc3n2C(C)C)c1O
+,,,0.0,,,,,,0.0,,0.0,,,,0.0,0.0,CID2094369,Cn1cccc1C(=O)NC(=O)CSc1cccc[n+]1[O-]
+,,,,,,,,,,0.0,,,,,,0.0,CID3236777,CCOC(=O)C1CCCN(C(=O)c2cn(CC)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1
+,,,,,,,,,,,,,,0.0,,,CID5911990,CCC(NN1CCN(C)CC1)=C1C(=O)NC(=O)NC1=O
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID651691,CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID6411265,O=C(NCc1ccncc1)/C(=N\O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1713479,CCOc1ccc(S(=O)(=O)NCCCl)cc1
+0.0,,,,,,,0.0,,,,0.0,0.0,,,,,CID654241,CCOCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2857271,COc1ccc(N(C(C)C(=O)N/N=C/c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID698465,COc1ccc(CNC(=O)c2ccc(Br)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2214845,O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID4182430,Cc1csc2ncc(C(=O)NCCc3ccccc3)c(=O)n12
+,,,,0.0,,,,,,0.0,,,,,,,CID989135,COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1C
+,,,,,,,,,,0.0,,,,,0.0,,CID3240804,O=C(CSCc1cccs1)N1CCCC1
+,,,0.0,,,,,,,,0.0,,,,,,CID2246680,CC1(C)CC(=O)C(=CNCCc2ccccn2)C(=O)C1
+,,,,,,,,,,0.0,,0.0,0.0,,,,CID3798162,O=C(CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21)c1ccco1
+,,,,0.0,,,,,,,,0.0,,,,,CID3419799,COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(F)cc2)SCC3)cc1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID2968499,O=C(O)C1CCCCC1C(=O)NCCc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1362627,O=C(Nc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
+,0.0,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,,CID1072843,COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
+0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,CID650692,COc1cc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)c2cnccn2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2981727,COc1ccc(C(C)n2c(C)c3c(C)nnc(C)c3c2C)cc1
+0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,CID3236539,Cc1cc(NC(=O)c2cc(-c3cccs3)on2)nn1Cc1ccc(Cl)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID3240280,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(C)CC2)CC1
+0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,CID655929,COc1ccc(CNC(=O)CN(C(=O)c2cc3sccc3n2C)C2CCCC2)cc1
+,,,0.0,,,,0.0,,0.0,0.0,,,,,,,CID3103803,CN1CCN(CC(=O)N2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCCC42)CC1
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,,CID655867,Cc1ccc(-c2nnn(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID2127907,O=C(Cn1[nH]c(=O)c2ccccc2c1=O)OCC(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID946182,COc1ccccc1/C=N/NC(=O)CCn1cnc2ccccc21
+,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,CID652398,Cc1cc(C)nc(SCc2nnc(SCc3ccccc3Cl)o2)n1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID646361,COc1ccc(N2CCCCn3c2nc2c3c(=O)n(C)c(=O)n2C)cc1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID2998261,CC(=O)Nc1ccc(S(=O)(=O)NC(C(=O)O)C2=CCC=CC2)cc1
+,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,CID892962,O=C(OCN1C(=O)c2ccccc2C1=O)c1ccco1
+,,,,,,,0.0,,,,,,,,,,CID2965960,CC1=C(C(=O)OCC2CCCO2)C(c2ccc(C)o2)C2=C(CC(c3ccc(N(C)C)cc3)CC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID867281,CCOC(=O)/C(C#N)=N/Nc1cc(OC)ccc1OC
+,,,,,,,,,,,,,,0.0,,,CID700922,Cc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID1017688,O=C(Nc1ccc2c(c1)OCCO2)c1cc(-n2cnnc2)ccc1Cl
+,,,,,,,,,,,,,,,0.0,0.0,CID3241007,COc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)c1
+,,,,,,,,,,,,,,,,0.0,CID3241226,CC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Br)cn3)o2)nc1C
+0.0,0.0,,,,1.0,,0.0,,,,,,,,,0.0,CID5101991,Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)ccc2n1C
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID2998988,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)N1CCc2ccccc21
+0.0,,0.0,,,,,,,,,,,,,,,CID754572,O=C(NO)c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,,,CID650098,Cc1cnc(C)c(N2CCC(C(=O)NCc3cccs3)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID1328875,Cn1c(Sc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nnc1-c1ccccc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2930800,COC(=O)c1sc(NC(=O)C2CCCCC2C(=O)O)c(C(=O)OC)c1C
+,0.0,,,,,,,,,0.0,,,,,,,CID648351,CCCOC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2873224,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC1COc2ccccc2O1
+,,,,,,,,,,,,,,0.0,,,CID9551117,CCN(CC)C(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccc(OC)c1
+,,,,,,,,,,,0.0,,0.0,,,0.0,CID2945191,CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1Cl)C(C)C
+,,,,,0.0,,,,,,,,,,,,CID6619748,Cc1cc(C(=O)Nc2c(C)nn(Cc3ccccc3)c2C)on1
+,,,,,,,0.0,,,,,,,,,0.0,CID3243459,CCOC(=O)C1=C(C)NC(SC(C)=O)=NC1c1ccc(OC(C)=O)c(OC)c1
+0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,CID660271,Cc1cc(-c2nc3ccccc3o2)c2ccccc2n1
+0.0,,,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,CID730319,O=C(CSc1nnc2sc3ccccc3n12)c1ccco1
+,,,,,,0.0,,,,,0.0,,,,,,CID3245863,Cc1nnc(NC(=O)NCN2C(=O)C3C4C=CC(C4)C3C2=O)s1
+,,,,,,,,,,,,,,0.0,,,CID1329072,COc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1853525,COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)cc(OC)c1OC
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+0.0,,,,,,,,,,,,,,,,,CID5389420,Fc1ccc(C2C3=C(N=C4N=CNN42)c2ccccc2OC3c2ccncc2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID979804,COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OCc1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID16189843,CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CN2CCOC2=O)CC1
+,,,,,,0.0,,,0.0,,0.0,,,,,0.0,CID5389544,CC/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,,,CID659866,Cc1cc(C)cc(CC2CC(=O)N(c3cc(C)on3)C2=O)c1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID666531,CC(C)c1ccc(C2CC(=O)N3CN(Cc4ccco4)CSC3=C2C#N)cc1
+,,,,,,,,,,,,,,0.0,,,CID2478231,CCCCCCn1c(COc2ccccc2F)nnc1SCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
+0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0,CID653423,COc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2766382,COC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
+,0.0,,0.0,0.0,,,,0.0,,,,,,,,,CID645750,O=C(CSc1nnc(NC(=O)C2CCC2)s1)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1121535,O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccco2)cc1
+0.0,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,CID2997946,O=C(Cc1ccsc1)NCC(c1ccco1)N1CCCCC1
+,,,,,0.0,,0.0,0.0,,,0.0,,,,,,CID652749,COc1cc(C(=O)N2CCC(NC(=O)C(Cc3ccccc3)NC(C)=O)CC2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2558296,Cc1ccc(C)c(C(=O)COc2ccccc2[N+](=O)[O-])c1
+0.0,,,,,,,,,,,,,,,,,CID657811,CCCc1[nH]nc2c1C(c1c(C)nn(-c3ccccc3)c1Cl)C(C#N)=C(N)O2
+,,,,,,,,,0.0,,,,,,,,CID3753455,COc1ccc(OC)c(NC(=O)C(CC(=O)O)Cc2ccc(Cl)cc2)c1
+,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,CID823601,Cc1occc1C(=O)Nc1ccc2ccccc2c1
+,,,,,0.0,,,,0.0,,,,,,,,CID2767856,CC(C)(C)c1ccc(-c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID662052,Cc1cc(=O)oc(C)c1C(=O)Nc1cccc2nonc12
+,,,,,,,,,,0.0,,,,,,,CID2157576,CCn1cc(S(=O)(=O)CC(=O)Nc2ccc(C)cc2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2906793,NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccnc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2169472,COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1235692,O=C1N=C2SCCN2/C1=C\c1ccc(Cl)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID674924,CCOC(=O)Cc1csc(NC(=O)c2ccco2)n1
+,,,,,,,,,,,,,0.0,,,,CID823738,CCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID851522,Cc1nnc(SCc2ccccc2F)n1NCc1cccs1
+,0.0,,,,0.0,,,,,,,,,,,,CID5389467,CCOc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCCN(C)C)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID659048,COc1ccc(C2CC(=O)C(=CNCCN3CCOCC3)C(=O)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1478843,C=CCn1c(-c2csc(-c3ccc(OC)c(OC)c3)n2)n[nH]c1=S
+,,,,,,,,,0.0,0.0,,,,,,,CID2480673,O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)N1CCCc2ccccc21
+,,,0.0,,,,,,,,,,,,,,CID664321,COC(=O)C(CC(C)C)NC(=O)NC1CCCc2ccccc21
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID5307236,COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID949028,CCOc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1
+,0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,CID645908,COCCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,0.0,,,,,CID2166675,O=C(Nc1nc2ccccc2[nH]1)c1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID971846,CCCN1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID6622065,CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)cc3)nc3ccccc23)C1
+,,,,,,,,,,,,,,0.0,,,CID2926474,CN1CCN(c2ccc(C(=O)c3ccc(Br)cc3)cc2[N+](=O)[O-])CC1
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID974101,O=C(Cc1c(F)cccc1Cl)Nc1ccncc1
+,,,,,,,,,,,,0.0,,,0.0,,CID4524563,CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccc(C)o2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID839617,CCOc1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2907831,COc1ccccc1NC(=O)C(=O)Nc1ccccn1
+,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID1276464,CC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3737444,Cn1cc(C(=O)N2CCCCC2)c2ccccc21
+,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,,,CID2905874,CCOC(=O)C1CCCN(C(=O)CCc2ccccc2)C1
+,,,,,,,,,,0.0,0.0,,,,,,CID3114261,CCCCOC(=O)c1cc(C)nc2ccc(Br)cc12
+,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,CID3236648,Cc1cccc(NCc2ccccc2O)c1
+,,,,,,,,,0.0,,,,,,,,CID1405531,COC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1
+,,0.0,,,0.0,,,,,,0.0,,,,,,CID800971,O=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID823759,CCC(=O)NC(=S)Nc1c(C)cc(Br)cc1C
+,,,0.0,,,,0.0,,,,,,,,,,CID2058723,CCCCCCC(=O)c1c(C)[nH]c(C(=O)OCC)c1C
+,,,,,0.0,,,,,,,,,,,,CID5410783,O=C1C=CC(=CNNC(=O)c2csc3ccccc23)C=C1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID653641,Cc1ccc(F)cc1NC(=O)c1cccc2nccnc12
+,,,,,0.0,0.0,,,,,,,,0.0,0.0,,CID676029,CCN(CC)c1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3236854,CCCS(=O)(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID873519,Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)c(C)c1
+0.0,,,,,,,,,,,,,,,,,CID3244980,O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1c(F)cc(F)cc1Br
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2951509,CCN1C(=O)CC(n2c(C)nc3ccccc32)C1=O
+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,CID2229845,O=C(NCCOc1ccccc1)c1ncn[nH]1
+,,,,0.0,,0.0,,,,,,,,,,,CID2230160,N/C(CC(=O)NCCOc1ccccc1)=N\O
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID645943,O=C(NCCNC(=O)c1cccs1)c1ccco1
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID663492,COC(=O)C(CCSC)NC(=O)Nc1ccc(C)c(C)c1
+,,0.0,,,,,,,,,,,,,0.0,,CID5308406,COc1cccc(C2CC(c3ccc(F)cc3)N=C3N=C(N)NN32)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID1025603,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5308443,Cc1ccc(NC(=O)C2C3C=CC4(CN(Cc5cccnc5)C(=O)C24)O3)cc1
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2932254,COCc1nnc(NC(=O)CC(C)c2ccccc2)s1
+0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,CID2407516,CN(C(=O)CSc1nnc(-c2ccco2)o1)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1135590,CCOC(=O)N1CCN(C(=O)CN(c2ccc(OC)cc2)S(C)(=O)=O)CC1
+,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID1223128,O=C(Nc1cccnc1)c1ccc(COc2ccccc2Br)o1
+0.0,,,,,,,,,,,,,,,,,CID649464,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,CID1084754,O=C(COC(=O)c1ccco1)NCc1cccs1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID2865019,CC1(C)CC(n2c(=S)[nH]c3ccccc3c2=O)CCO1
+,,,,0.0,,,,,,,,,,,,,CID2245986,CC(=O)NCCSC(=O)c1ccc(F)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID644794,Cc1cc(NC(=O)CSc2nnc(C3CC3)n2C)no1
+,,,,,0.0,,,,,,,,,,,,CID3243415,COc1ccc(C(=O)c2ccc(N(C)C)cc2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID4061705,Cc1nn(C)c(C)c1CN(C)C(=O)CCCC(=O)O
+0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,,,CID838812,C=CCN(CC=C)S(=O)(=O)c1ccc2nsnc2c1
+,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,CID650749,CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NCCc1ccccc1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID662542,COc1cccc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)c1
+,,,,,,,,,,,,,0.0,,,,CID2930740,O=C(CC(Nc1ccccc1Cl)C(=O)O)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1227657,Cc1ccc(C)c(-n2c(C)cc(/C=N/NC(=O)c3c(C)nc4cc(C)ccn34)c2C)c1
+,,,,,,,,,,,,,,0.0,,,CID3417399,C/C(CC(=O)NC1CCCCCC1)=N\NC(=O)c1cnccn1
+,,,,,,,,,,0.0,,,,,0.0,,CID535852,Nc1ccc(C2(c3ccc(N)cc3)CN3CCC2CC3)cc1
+0.0,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID2121573,Cc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(=O)CCC(=O)O)o1
+,,,0.0,,0.0,,,0.0,,,,,,,0.0,,CID2569059,CCCc1cc(=O)nc(SCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)[nH]1
+,,,,,,,,0.0,,,,,,,,,CID651969,CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCCc2ccccc21
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,CID649221,CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID2122512,O=C(/C=C/c1ccco1)OCn1nnc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2211915,CCOc1ccc(CC(=O)NNC(=S)NCCc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID1253521,COc1cc2c(OC)cccc2cc1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1114519,COC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CCCC2
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID1131718,COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)cc1Br
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID879553,CC(=O)CC(=O)NC1C2CC3CC(C2)CC1C3
+,,,,,,,,,,,,0.0,,,,,CID652062,Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCO)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2906865,COc1ccc(NC(=O)c2ccc(C)cc2Cl)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID3105515,C/C(CC(=O)Nc1ccc(OCc2ccccc2)cc1)=N\NC(=O)C(=O)Nc1cccc(C)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID660437,COc1cccc(N2CCN(C3CC(=O)N(c4ccc(C)c(Cl)c4)C3=O)CC2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID1893667,CCN1/C(=C\C(C)=O)Sc2ccc(OC)cc21
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,,CID660954,COc1cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc(OC)c1OC
+,,,,,,0.0,0.0,0.0,0.0,,,,,,,,CID660925,N#CCCN(C(=O)c1ccco1)c1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID2227571,CCNC(=O)CCCOc1ccc(Cl)cc1Cl
+,0.0,,,,0.0,,,,,,,,,,,,CID5307886,CCOCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
+,,,,,,,,,,,,,,0.0,,,CID2862283,CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccs1
+,,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,CID2165979,CC(C)(CNC(=O)C1CCCC1)CNC(=O)C1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID2971598,O=C(CC1Nc2ccccc2NC1=O)Nc1cc(Cl)cc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID3299571,CCCC(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC
+,,,,,,,,,0.0,,,,,,,,CID1432125,O=C(NCc1ccco1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1
+,,,,,,,,,,0.0,,,,,,,CID2228811,COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID2924019,COCCOC(=O)C1=C(C)NC(=O)NC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
+,,,,,0.0,,,,,,,0.0,,,0.0,,CID660197,Cc1ccc(SCc2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)cc1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2998460,COc1cc(C(=O)OC2CCCCC2=O)cc(OC)c1C
+,,,,,,,,,,,,,,,,0.0,CID650970,Cc1cc(C)c(NC(=O)CS(=O)CC(=O)NCC2CCCO2)c(C)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID2199592,Cc1cccc2c1NC(=O)/C2=C\C(=O)c1cccs1
+,,,,,0.0,,,,0.0,,,,,,,,CID3153354,Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(C)(=O)=O)cc1
+,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID1294200,CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
+,,,,,,,0.0,0.0,,,,,0.0,0.0,0.0,,CID751241,COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1
+,,,,0.0,,,,,0.0,,,,,,,,CID674491,CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3238656,Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2ccccc2)c1
+,,0.0,,,,,,,,,0.0,,,,,,CID665341,c1coc(-c2ncc[nH]2)c1
+0.0,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID651221,CC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1
+,,0.0,,,,,,,,,,,,,,,CID652081,Cc1cccn2c(=O)c3cc(C(=O)NCC4CCCO4)c(=N)n(Cc4cccnc4)c3nc12
+,,,,,,,,,,,,,0.0,,,,CID2764966,COc1ccc(-c2nc3ccccc3n2OC(C)C(=O)O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID9550919,CCOC(=O)C1CCCN(c2c(Nc3ccc(OCC)cc3)c(=O)c2=O)C1
+,,,,,,,,,,,,,,0.0,,,CID16188072,CCN(CC)C(=O)Cn1c(=O)n(-c2ccc(CC(=O)NCc3ccccc3)cc2)c(=O)c2sccc21
+,,,,0.0,,,0.0,,,,,,,,,,CID653103,COC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID1240168,CC(C)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CC(C)C)cc2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID853427,CC(=O)Nc1nc(C)nc(-c2ccccc2OC(C)=O)n1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID1310627,CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID5738419,Oc1cccc2ccc(/C=C/c3cccs3)nc12
+,,,,,,,,,,0.0,,,,,,,CID2482861,C=CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID5309821,CCn1c(=O)cc(OCC(=O)N2CCCC2)c2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID660157,Cc1ccc(C2C3COCC=C3C(C#N)=C(N)C2(C#N)C#N)o1
+,0.0,,,,,,0.0,0.0,,,,,,,0.0,,CID4888254,COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(O)c1
+,,,,,,,,,,,,,,0.0,,,CID2147593,COc1cc(C(C)=O)ccc1OC(=O)c1cc2cccc(OC)c2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID2794916,O=C(CCl)N(c1ccccc1)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID11958698,CCCn1nc2cc(C(=O)NCc3ccccc3OC)ccc2c1OCC
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID5308996,CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID1301114,Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)cc2)no1
+,,,,,,,,,,,,,0.0,,,,CID1090993,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
+0.0,,,0.0,0.0,0.0,,0.0,,,,,,,,,,CID2123128,Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5310753,O=C(/C=C\Nc1ccc2c(c1)OCO2)c1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID1481267,O=C(N/N=C/c1cccs1)c1sccc1-n1cccc1
+,0.0,,,,,,,,,,,,,,,0.0,CID3236488,O=C(Nc1ccc(-c2noc(COc3ccccc3Cl)n2)cc1)c1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID5461260,C#CCNC(=O)/C=C/c1ccc(OC)cc1
+,,,,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,,CID662608,C=C(C)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)n1N
+,,,,,,,,,,,0.0,,,,,,CID3211236,O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1cccs1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID1242818,N#C/C(=C\c1ccco1)Sc1nc2ccccc2s1
+,0.0,,0.0,,,,,,,0.0,,,,,,0.0,CID1136197,CCOC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1
+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID2424366,O=C(CCN1c2ccccc2Sc2ccccc21)OCc1nnc(-c2ccccc2)o1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID1252301,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)no1
+,,,,,,,,,,,,0.0,,,,,CID2945445,O=C(CC1COc2ccccc2O1)Nc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID1190210,CCOC(=O)c1cc(C(=O)OCC)cc(-n2cc(O)c(C(=O)OCC)n2)c1
+,,,,,,,,,0.0,,,,,,,,CID600088,CC(=O)N1N=C(c2ccncc2)OC12CCCCCC2
+,,,,,,,,0.0,0.0,,,,,,,,CID1597711,CSc1nc(C)cc(OCCNS(=O)(=O)c2ccc(C)cc2)n1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID665899,Cc1[nH]nc2c1-c1nc3ccccc3nc1C(C)(C)C2
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID2862321,CSCSC1=C(C#N)C(c2ccccc2Cl)C(C(C)=O)=C(C)N1
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID2966112,O=C(NCC1CCCO1)c1cccc(NC(=O)c2ccco2)c1
+,,,,0.0,,,,,0.0,,,,,,,,CID594518,CCn1c(CSc2nc3ccccc3s2)nc2ccccc21
+,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0,,CID961795,CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID645517,CC1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2CC2CCCO2)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID3236094,C=CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
+,,,,,,,,,0.0,,0.0,,,,,,CID864703,CCC(=O)Nc1nc(CC(=O)Nc2ccccc2OC)cs1
+,,,,0.0,,,,,0.0,0.0,,,0.0,,,,CID2899848,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccccc1
+,,,,,,,,,,0.0,,,,0.0,,,CID4153901,CCOC(=O)N1CCN(C(=O)CCCn2c(=S)[nH]c3ccc(Br)cc3c2=O)CC1
+0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,,,CID702576,CN(C)/C=C(\C#N)c1nc2ccccc2[nH]1
+,,,,,,0.0,,,,,,0.0,,,,,CID977233,O=C(N1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1379680,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID801472,COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C
+,,,,,,,,,,0.0,,,,,,,CID4263740,COCc1cc(=O)n2[nH]c(-c3ccsc3-n3c(C)ccc3C)cc2n1
+,,,,,,,,,,,0.0,,,,,,CID237953,Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O
+0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,,CID665282,COc1ccc(CC(=O)N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(C)C)cc1
+,,0.0,,,,,,,,,,0.0,,0.0,,,CID2964189,O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCN2CCCC2C1
+,,,,,,,,,,,,,0.0,,,,CID3185798,Cc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=S)NCCc3ccccc3)cc2c1
+,,0.0,,0.0,,,,0.0,,,,,,,,0.0,CID3240444,Cc1cc(NC(=O)C2CCCC2)nc2c1c(=O)oc1ccccc12
+,,,,,,,,,,0.0,,,0.0,,,,CID1041096,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCCCC3)cc2)cc1
+0.0,,,,,0.0,,0.0,,0.0,,,0.0,,,,,CID3241766,Cc1ccc(C2CC(=O)C(=CNCCN3CCN(C(=O)Cc4ccccc4)CC3)C(=O)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3149918,COc1ccc(C(C#N)N2N=C(C)CC2(C)C)cc1OC
+,,0.0,,,,,,,0.0,,,,,,,,CID2998763,Cn1nnnc1SCC(=O)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID9585626,Cc1ccccc1CC1SC(N/N=C/c2ccco2)=NC1=O
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID700880,Cc1onc(-c2ccccc2)c1C(=O)NCc1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID828277,COc1ccc(/N=C/c2sc3ccccc3c2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID800068,Cc1cc(C)n(C(=O)c2ccc([N+](=O)[O-])c(Cl)c2)n1
+,,,,,,,,,0.0,,,,,,,,CID940617,CN(C)S(=O)(=O)c1cccc(-c2cn3cc(Cl)ccc3n2)c1
+,0.0,,,,,,,,0.0,,,0.0,0.0,,0.0,0.0,CID118853,O=C(Nc1ccc(Cl)cc1)N1CCCC1
+,,,,,,,,,,0.0,,,0.0,,,,CID977314,Cc1cc2c(n1-c1ccc(Cl)cc1)CC(C)(C)CC2=O
+,,,,,,,,,,,,,0.0,,,,CID737814,O=C(O)CC/C(=N\Nc1ncc(C(F)(F)F)cc1Cl)C(=O)O
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID2333060,CN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID664619,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2535899,O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12
+,,,,,,,,,,,,,,0.0,,,CID2447380,Cc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)cc1
+,,,,,,,,,,,0.0,,,,,,CID1291921,COc1ccc(C(=O)Nn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID649415,Cc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccncc2)c1C
+,,,,,,,,,,,,,,,0.0,,CID644774,CN(CC(=O)NCC1CCCO1)S(=O)(=O)c1cc(Cl)ccc1Cl
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID606012,COc1ccc(OC)c2c1CCC2=O
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID754321,N#Cc1c(N)nc2c(c1-c1ccco1)CCCCC2
+,,,,0.0,,,,,,,,,,,,,CID3245232,Cc1ccc(-c2cc(C(F)F)nc(NCc3cccnc3)n2)cc1
+0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID667267,CCN1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID4285303,Cc1c(CCNC(=O)Nc2ccccc2)c2ccccc2n1Cc1ccccc1
+,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,,,CID2789357,CCOC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCC3
+,,,,,,,,,0.0,,,,,,,,CID963431,O=C(CN1CCOCC1)Nc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID687520,O=C(Cc1cccs1)N/N=C/C(Cl)=C/c1ccccc1
+,,0.0,,,,,0.0,,,,,0.0,,0.0,,,CID2197182,COC(=O)c1ccc(O)c(Sc2cc(C(=O)OC)ccc2O)c1
+0.0,,,,,,,,0.0,,,0.0,0.0,,,,,CID1091472,O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID5355543,Cc1ccc(S(=O)(=O)NNC2=c3ccccc3=NC2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2408611,COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID345843,COc1ccc(N2C(=O)CCC2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3724239,Cc1ccc(C(=O)N2CCN3C(=O)c4ccccc4C23c2ccc(Cl)cc2)cc1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,,CID5063166,COc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1OC
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID3237854,COC(=O)c1ccc(S(=O)(=O)NCc2cccc(OC)c2)n1C
+,,,,,,,,,,,0.0,,,,,,CID3210613,O=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccco1)C(=O)c1ccc2c(c1)OCCO2
+,0.0,,,,,,,,,0.0,,,,,,,CID1637781,COCc1nnc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)s1
+0.0,0.0,,0.0,,,,,,,,0.0,,,,,,CID2382145,O=c1c2cnn(-c3ccccc3)c2ncn1/N=C/c1ccncc1
+,,,,0.0,,0.0,,,,,,,,,,,CID2998452,O=C(Nc1nc(-c2ccccc2)cs1)C1CCCO1
+,,,,,,,,,0.0,,,,,,,,CID3095116,CCOC(=O)CC1NC(=O)c2ccccc21
+,,,,0.0,,0.0,,,,,,,,,,,CID2965178,CC(C)(O)C#Cc1ccccc1C(=O)NC(CC(N)=O)C(=O)O
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID3244572,CCCN1Cc2cccc(C(=O)Nc3ccc4c(c3)OCO4)c2C1=O
+,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID720559,O=C(Cn1c(=O)oc2ccccc21)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID736577,O=C(CSc1ccccc1)N1CCc2ccccc21
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID653725,CCCn1c(O)c(C(=O)Nc2ccccn2)c(=O)c2c1CCCC2
+0.0,,,,,0.0,,,,0.0,,,,,,,0.0,CID2923668,C=CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1
+,,,,,,,,,,,,,,0.0,,,CID1452367,CC(=O)c1cccc(-n2nnnc2SCC(=O)NNC(=O)C2CCCCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID2880923,CC(C)COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2084598,Cc1cc(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)no1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID976486,CCC(CC)C(=O)Nc1cc(NC(=O)C(CC)CC)cc(C(=O)O)c1
+,,,,,,,0.0,,,,,0.0,,,,,CID5308889,CCN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
+,,,,,,,,0.0,,,,,,,0.0,,CID237621,COc1ccc(CCCC(=O)O)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID839273,COc1cccc2c(=O)cn[nH]c12
+,,,,,,,,,,,,,0.0,,,,CID3601722,CC1(NC(=O)C2CCCCC2)CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID1554642,COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)on3)C2=O)cc1OC
+,,,,,,,,,0.0,0.0,,,,,,,CID2892034,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(N)=O)cc1
+,,0.0,,,,,,,,,,,,,,,CID711867,Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)s1
+,,,,,,,,,,,,,,0.0,,0.0,CID648670,Brc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1
+,,,,,,,,,,,,,0.0,,,,CID5308828,Cc1ccc(C2CC(c3cccs3)N3NC(N)=NC3=N2)cc1
+,1.0,,,,,,,,,,,,,,,0.0,CID977261,CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID900602,Cc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1
+,,,,,,,0.0,0.0,,,,0.0,0.0,,,,CID733822,CCOc1ccccc1OC(=O)c1ccco1
+0.0,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,CID2286376,O=C(CC1CCCCC1)NCCCN1CCOCC1
+0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,CID656213,CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2404039,COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1
+,,,,,,,,,,,,,,0.0,,,CID5293633,CCOC(=O)c1ccc(N2C(=O)C3C(/C=C/c4ccccc4)OC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1
+,0.0,,,,,0.0,,,,,,,,0.0,0.0,,CID697176,CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21
+,,,,,,,,,,,,,0.0,,,,CID992371,Cc1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3113341,CN(C(=O)c1ccc(C(=O)N(C)C2CCCCC2)cc1)C1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID3153781,Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2cccs2)C(=O)c2csnn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3958003,CC(C)Cn1c(-c2ccco2)cs/c1=N\c1cccnc1
+,,0.0,,,,,,,0.0,,,,,,,,CID655771,O=C(NCCOC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccnc1
+,,0.0,,,,,,,,,,,,,,,CID645493,CCOC(=O)C1CCN(C(c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C2CCCCC2)CC1
+,0.0,,,,,,,,0.0,,,0.0,,,,0.0,CID3240998,CCOC(=O)CN1C(=O)COc2ccc(Cl)cc21
+,,,,,,,,,,,,,0.0,,,,CID2532745,Cc1ccc(CNC(=O)CSc2nc(C)cs2)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID2998755,CN(C)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID225170,CCn1c(N)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID5308523,Cc1ccccc1-c1nc(CS(=O)CC(=O)NCCN2CCOCC2)c(C)o1
+,0.0,,,,,,,,,,0.0,,,,,,CID660672,Cn1cccc1/C=N/n1cnnc1
+,,,,,,,,,,,,,0.0,,,,CID2093192,COc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID6324591,O=C1C(O)=CC=C/C1=C\NCc1ccccc1
+0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,,CID823069,O=c1c2ccccc2nc(-c2ccco2)n1-c1ccncc1
+,0.0,,,,,,,0.0,0.0,,0.0,,,,,,CID664553,Cc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1N
+,,,,,,,,,,,,,,0.0,,,CID15988023,COCCNC(=O)CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)Nc2ccc(F)cc2)c1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID684466,Nc1ccnc(C(F)(F)F)c1C(=O)c1ccccc1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID655082,O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID619729,CCOC(=O)c1cn(CC)c2ccc(Br)cc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID772595,C/C(Cn1cnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1O
+,,,,0.0,,,,,,,,0.0,,,,,CID3245162,CCOC(=O)CCNC(=O)CNC(=O)OCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1363485,Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1[N+](=O)[O-]
+0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,,CID1317004,COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C2CCCCC2)cc1
+0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,CID649951,O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1
+,,0.0,,,,,,,,,0.0,,,0.0,,,CID664140,N#Cc1nc(-c2ccco2)oc1N1CCC(C(N)=O)CC1
+,,,,,,,,0.0,,,,,,,,,CID3193755,CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID818750,O=c1c2ccccc2nc2n1C1(CCCCC1)Cc1ccccc1-2
+0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,CID664153,COc1ccc(CCNc2oc(Cc3ccccc3)nc2C#N)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID5309199,CC1CC(C)CN(CCCNC(=O)CC2Oc3ccccc3NC2=O)C1
+,0.0,,,,,0.0,,,,,,,0.0,,,0.0,CID3240125,O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)N1CCN(C2CCCCC2)CC1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID2988340,COCCNC(=O)C1CC(=O)N(C2CCCCC2)C1
+,,,,,,,,,0.0,,,,,,,,CID2312489,CCCCN(C)c1ncc(Cl)c(C(=O)O)n1
+0.0,,,,,,,,,,,,,,,,,CID3245827,O=C(Nc1ccccc1)N(O)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2927906,O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1/N=C/c1cccc(O)c1
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,CID2392415,Cc1noc(C)c1CSc1nc2ccccc2s1
+,,,,,,,,,0.0,,,,,,,,CID760851,CCc1c(C)[nH]c2c(C)cccc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID2884499,O=C1C=C(NCc2ccncc2)CC(c2ccccc2)C1
+,,,0.0,,,,,,0.0,,,,,0.0,,,CID660811,CC/C(=N\O)c1ccc(OC)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID703597,CCC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F
+,,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,0.0,,,CID652883,CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(COC)n1
+,,,,,,,,,,0.0,,,,,,,CID2028463,Cc1ccc(SCc2cc(=O)nc(N3CCN(C)CC3)[nH]2)cc1
+,,,,,,,,,0.0,,,,,,,,CID4664179,CCOc1ccc(N/C(=N/Cc2ccc3c(c2)OCO3)SC2CC(=O)N(c3ccccc3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1417404,Cc1nc2sccn2c(=O)c1Br
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID3239315,Cc1ccc(C)c(NC(=O)C2CC(O)CN2C(=O)OC(C)(C)C)c1
+,,0.0,,,,,,0.0,,0.0,,,,,,,CID2998108,COc1ccc(C(CNC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)N2CCOCC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID789646,CCC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2336906,CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)s1
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+,,,,,,,,0.0,,,,,,,,,CID2354167,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(Br)s1
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+,,,,,,,,,,,,0.0,,,0.0,,CID3236566,CCN(C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12)c1ccccc1C
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+,,,,,,,,,,,,,0.0,,,,CID883348,O=Cc1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12
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+,,,,,,,,,,,,,0.0,,,,CID2486876,CSc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1
+,,0.0,0.0,,,,0.0,0.0,,,,,,,,,CID663774,CCn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,,,,,,0.0,,0.0,,,,,,,CID663540,CCCCCc1c(C)[nH]c(N2CCOCC2)nc1=O
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID1377242,COc1cc(CN2CCN(c3cccc(Cl)c3)CC2)cc(OC)c1OC
+,,,,0.0,,,,,,,,,,,,0.0,CID2213782,O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)Nc1ccccc1F
+,,,,0.0,,,,,,,,,,,,,CID3242407,Cc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2C)c1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID664442,Cc1nc(NCc2ccco2)c2oc3ccccc3c2n1
+,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,CID787304,CC(=O)Oc1ccc(C(=O)Nc2nnc(C)s2)cc1
+,,,,,,,,,,,,0.0,,,,,CID2334569,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID3217526,COC(=O)C1(c2ccccc2)NC(c2cccs2)C2C(=O)N(c3ccccc3)C(=O)C21
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+,,,,,,,0.0,,,0.0,,,,,,,CID2249382,COc1ccc(/C(N)=C/C(=O)C(C)(C)C)cc1
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+,,,,,,,,,,,,,,,0.0,,CID731848,CC(=O)c1cccc(NC(=O)C=C(C)C)c1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID655008,CCOC(=O)c1c(N)sc(C(=O)N2CCCC2)c1C
+0.0,,0.0,,,,,,,,,,,,,,,CID1178243,C=CCn1c(=O)c2c(C)c(C)sc2n2c(Nc3ccc(OC)cc3)nnc12
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+,,,,,,,,,,,,,0.0,,,,CID4232472,O=C(NCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1
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+,,0.0,,,,,,,,,,,,,0.0,,CID721596,COC(=O)c1c(C)nc(C)c2c(=O)oc3ccccc3c12
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+,,,,,,,,,,,,,0.0,,,,CID1149349,Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID3241059,CC1(C)CC(=O)C2=C(C1)Nc1[nH]c(SCCN3CCOCC3)nc(=O)c1C2c1cccs1
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+,,,,0.0,,,,,,,0.0,,,,,,CID2147263,CCOC(=O)Cc1csc(NC(=O)CSc2nnc(Cc3csc(N)n3)n2C)n1
+,,,,,,,,,,,,,0.0,,,,CID828748,CCS(=O)(=O)n1nc(-c2ccco2)nc1N
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+,,,,,,,,,,,,,,0.0,,,CID4220848,Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(CC3CCCO3)cc2n(C)c1=O
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID2984612,CCCOc1ccc(N2C(=O)CC(N3CCN(c4nc5ccccc5s4)CC3)C2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID666069,Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4C)CC3)cc(C)nc21
+,,,,,,,,,,,,,,0.0,,,CID6668510,CCOC1OC(C(=O)NCc2ccccc2)=CC(c2cn(C(C)=O)c3ccccc23)C1CCCO
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID3237681,O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,,,,,,,,,,,,,,0.0,,,CID5122310,COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(OCC4CCCO4)cc3)n2)c1
+,0.0,,,,,,,,0.0,,,,0.0,,0.0,,CID883692,Cc1cc(OCC(=O)N2CCCC2)ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID5898222,COC1=C/C(=C/NNC(=O)CCOc2ccccc2C)C=C(Br)C1=O
+,,,,,0.0,,,,,,,,,,,,CID1120619,CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3248736,Cc1cccc(C)c1Nc1nnc(SC(C)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)s1
+,,,,,,,,,,,,,0.0,,,,CID2622645,Cc1ccc2c(CSc3nnc4ccccn34)cc(=O)oc2c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID774142,O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,,,,0.0,,,,0.0,,,,,CID2193481,CCCCC(=O)Nc1cc(NC(=O)CCCC)cc(C(=O)O)c1
+,,,,,,,,,,,,,,0.0,,,CID4832903,Cc1c(-n2c(SCC(=O)NC(C)C(C)C)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
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+,,,,,,0.0,0.0,,0.0,,,0.0,,,,0.0,CID655329,CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1088524,O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCOCC1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID664764,Cc1cccc2cc(COC(=O)C3CCCO3)c(=O)[nH]c12
+,,,,,,,,,,,0.0,,,,,,CID2547028,Cc1sc2ncnc(NCC3(N4CCOCC4)CCCCC3)c2c1C
+0.0,,0.0,,,,,,0.0,0.0,,,,,,,,CID1091520,COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)c1
+,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,CID5310924,C/C(Nc1ccccc1C)=C1\C(=O)OC(C)C1=O
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID1635705,COc1ccccc1Nc1nc(N)nc(CSc2nnc(C)s2)n1
+,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID1618051,CCCCCC(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID985284,C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2scc(-c3ccccc3)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2066738,O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccccc1
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2842704,O=S(CC(O)COCc1ccc(Cl)cc1)c1ccccn1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID646486,Cc1ccc2c(c1)N(CC(=O)N1CCCc3ccccc31)C(=O)C(C)O2
+,,,,,,,,,,,,,,0.0,,,CID998941,COc1ccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)cc1
+,,,,,,,,,,,,,,,0.0,,CID647141,COCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID3240982,c1cc(-c2nc3cc(Oc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3238874,COc1ccc(OC)c(NC2c3ncccc3C(=O)N2Cc2ccco2)c1
+,,,,,,,,,,,,,,0.0,,,CID3580474,CCOC(=O)c1c(/N=C/N(C)C)sc(/C=N/Nc2ccccc2)c1-c1ccccc1Cl
+,,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID1307930,O=C(c1cn(-c2ccccc2)nc1-c1ccncc1)n1nnc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID1315339,CC(=O)Nc1ccc(Nc2ncnc3c2cnn3-c2ccc(C)cc2C)cc1
+,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,0.0,CID738352,COc1ccc(-c2cc(C(F)(F)F)n3nc(C)cc3n2)cc1
+,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID1296537,COc1ccc(CCNc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1OC
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID235110,O=C1CC(c2ccccc2)c2ccc(O)cc2O1
+,,,,,0.0,0.0,,,,,,,,,,0.0,CID5307733,COc1ccc(C2N(c3ccc(OC)cc3)C(=O)C3CCCN32)cc1
+0.0,,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,CID2121288,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3o2)c1C
+,,,0.0,0.0,,,,,0.0,,,,,,0.0,,CID655451,Cc1ccc(C(=O)NCC(=O)O)cc1S(=O)(=O)N1CCCCC1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3245234,CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2253012,CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NCCN/C=C2\C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)C1=O
+,,,,,0.0,,,,,,,,,,,,CID4437359,O=C(c1ccccc1)c1sc(N2CCCCCC2)nc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2927301,CC(=O)Nc1ccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3241017,O=C(CN1C(=O)COc2ccccc21)NCCC1=CCCCC1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID2893681,CCCn1c2ccccc2c2nnc(SCC(=O)OC)nc21
+,,,,,,,,,,,,,0.0,,,,CID1734112,CN1C=CC=C/C1=C1/SC(=S)N(Cc2ccccc2)C1=O
+,,,,0.0,,,,,,,,0.0,,0.0,,0.0,CID2249247,CCCCNC(=O)Oc1cccc(N2CCCC2=O)c1
+,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID663175,CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1
+,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,CID657972,Cc1cc(C)c(C#N)c(SCc2[nH]nc3c2C(c2ccccc2)C(C#N)=C(N)O3)n1
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID1250959,CCOC(=O)CSc1nc2ccccc2n2cnnc12
+0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,,CID2128334,COc1cc(Cl)c(C)cc1NC(=O)COc1cc(C)nc(C(C)C)n1
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID1847573,Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID825578,C/C(=N\NC(=O)c1ccccc1O)c1ccc(Br)s1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID765790,COc1ccc(S(=O)(=O)NC2CCCC2)cc1Br
+,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,,CID657593,CCOC(=O)c1cnc(-c2ccccc2)[nH]c1=O
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID2092314,C=CCSc1nnc(NC(=O)COc2ccc3ccccc3c2)s1
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID5389358,CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2cccs2)cc1
+,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,CID752317,COc1ccc(C)cc1Cn1c(S(C)(=O)=O)nc2ccccc21
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID646168,O=C(O)CN1C(=O)CC(Cc2ccccc2)C1=O
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID665558,Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2ncc(-c3ccccc3)c2n1
+,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,,CID1317599,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID9550421,O=C(O)c1ccc(NC(CSCc2cccc(F)c2)C(=O)O)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,,0.0,,,CID2339171,Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)N3CCOCC3)c12
+0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,CID66916,c1ccc(NCCCNc2ccccc2)cc1
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID4124935,CCOC(=O)c1sc(NC(=O)c2cccnc2)nc1C
+,0.0,,0.0,,,,,,,,,0.0,0.0,,,0.0,CID2898129,CC12COC3(C(=O)Nc4ccc(Cl)cn4)CC1CCC32C
+,,,,,,,,,,,,0.0,,,,,CID2963273,O=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
+0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,CID2354193,Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2cccnc2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1591958,O=C(NN1C(=O)/C(=C/c2cccnc2)SC1=S)C(c1ccccc1)c1ccccc1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID2698196,COc1cccc(CN(C)CC(=O)NC(=O)NCc2ccco2)c1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID2997361,COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCCC3)c2C)CC1C
+,,,,,0.0,,,0.0,,,,,,,,,CID2565969,O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccccc1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID662328,COc1ccccc1NC(=O)CCN1CCN(CCC(=O)Nc2ccccc2OC)CC1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID3235933,Cc1cc2cc(CNC(=O)C3CC3)ccc2n1C
+,,,,,,,,,,,,0.0,,,,,CID977429,Cc1c(F)cccc1NC(=O)CCC(=O)O
+,,,,,,,,,,,,,0.0,,0.0,,CID2219300,COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)c1
+,,,,,0.0,0.0,,,,,,,,0.0,,,CID973349,O=C1c2cccnc2C(=O)N1Cc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,0.0,CID540501,CC(=O)C1C(c2ccco2)c2c(noc2C)CC1(C)O
+,,,,,,,,,,,,,,0.0,,,CID886651,Cc1ccc(NC(=O)COc2ccc(-n3cnnn3)cc2)cc1C
+,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID2963308,O=C(c1ccco1)N1CCN(C(=O)C2CCCO2)CC1
+,,,,,,,,,0.0,,,,,,0.0,,CID2183921,Cc1cc(OCC(=O)NCCO)ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID1460183,Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1452776,CCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1
+,,,,,0.0,,,,,,,,,0.0,,,CID1817843,Cc1cccc(OCCNC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID1281509,O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2
+,,,,,,,,0.0,,,0.0,,,,,,CID2193637,CCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1456617,CC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID661247,CCOC(=O)C(CC)(CCC(=O)Nc1nncs1)C(=O)OCC
+,,,,,0.0,,,,,,0.0,,,,,,CID5711148,CCOc1ccc(/C=C/C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
+0.0,,,,,,0.0,,0.0,0.0,,,0.0,,,,0.0,CID871987,COc1ccccc1C(=O)Nc1cccc(NC(C)=O)c1
+0.0,,,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,CID654366,CCn1cc(C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c(=O)c2ccc(C)nc21
+0.0,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,CID2113123,CCOc1ncccc1C(=O)OCC(=O)c1cc(C)n(Cc2ccco2)c1C
+,,,,,,,,,0.0,,0.0,,,,,,CID733298,COCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1
+,,,,,,,,,,,,,0.0,,,,CID831712,CCn1cc(CNC(=O)NC2CCCCC2)c(C)n1
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID661775,Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccncc1)C(C#N)=C(N)O2
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2571709,O=[N+]([O-])c1ccc(Oc2cccc(Br)c2)c2ccncc12
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID667047,COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccc(Cl)cc1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID3937576,NC(=O)c1cccc(S(=O)(=O)N2CC(c3ccccc3)CC2=O)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID655460,O=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1
+,,,,,,,,0.0,,,,,0.0,,,,CID1051135,CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2620699,COC(=O)c1ccc(CSc2nc3ccccc3[nH]2)o1
+0.0,,,,,,,0.0,,,0.0,,,,,,,CID3152879,CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID799853,COc1ccc(NC(=S)NCc2ccco2)c(OC)c1
+,,,,,,,,,,,,,,,,0.0,CID1352026,COc1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1OC
+,,,,0.0,,,,,,,,,,,,0.0,CID658844,CC1=C(Sc2ccccn2)C(=O)NC(C)(C)C1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2947888,CNC(=O)C1CCCN1S(=O)(=O)c1ccc(OC)cc1
+,0.0,,,,,,,,,,,,,,,,CID649637,COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID3243663,CC(=O)NCC(=O)NC(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2363756,S=c1[nH]nc(CSc2nc3ccccc3s2)n1Cc1ccccc1
+,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0,CID869141,O=C(NCCN1CCCCC1)c1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID752358,C=CCn1c(-c2ccc(N)cc2)nc2ccccc21
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID657742,Cc1cc2c3nonc3ccc2n1C
+,,0.0,,0.0,,,,,,,,,,,,,CID3245903,Cc1ccccc1NC(=O)CC1SC(NC2CCCCC2)=NC1=O
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID3237454,Cc1cc(N/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccc(F)cc2)no1
+,,,,,,,,,,,,,0.0,,,,CID4878538,COc1ccc2c(Cl)c(C(=O)NCCCn3ccnc3)sc2c1Cl
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID2211952,CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2341051,Cc1csc(NC(=O)C(NC(=O)c2ccccc2)C(C)C)n1
+0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID3236404,C=CCN(C(=O)CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1OC)c1ccccc1
+,,,0.0,,,0.0,,,,,,0.0,,,0.0,,CID650161,COc1cccc(NC(=O)COC(=O)c2cccnc2)c1
+,,,,,,,0.0,,,,,,,,,,CID1375624,CCN1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID649507,CC(C)CCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,0.0,CID3242899,CCN(Cc1ccccc1)C(=O)Cn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2sccc21
+,,,,,,,,,,,0.0,,,,,,CID851601,Cc1cccc(NC(=O)CSc2ncnc3nc[nH]c23)c1
+,,,,,0.0,,,,,,,,,,,,CID3539762,CCc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1
+,,,,,0.0,,,,,,0.0,,,,,,CID2555593,Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc3n(c(=O)c12)CCC3
+0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID653534,COc1ccc(OC)c(Nc2cc(C)nc3ccccc23)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID895487,Cc1cccc(Nc2nc(N)nc(CSc3nccn3C)n2)c1
+,,,,,,,,,,,0.0,,,,,,CID1224967,O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)s1
+,,,,,,,,,,,,,,0.0,,,CID2088722,Cc1ccc(C(=O)N/C(=C/c2ccco2)C(=O)O)cc1
+,,,,,,,,,,0.0,,,,,,,CID1431941,COc1ccc(N(Cc2ccccc2)C(=O)CSc2nnc(Cn3nnc4ccccc43)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16192165,CCOC(=O)C1(CCCc2ccccc2)CCN(CC(O)CO)CC1
+,,,,,,,0.0,,,,,,,,,,CID5308149,CCOCCCNC(=O)Cn1cc2c(n1)CCCC2
+0.0,,,,,0.0,,,,,,,,,,,,CID3237192,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2cccnc2)C1
+,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,CID621221,Cn1c(-c2ccc3ccccc3n2)nc2cnccc21
+,,,0.0,,,,,,,,,,,,,,CID5308360,Cc1csc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1
+,,,,,0.0,0.0,,,,,,,,,,,CID2320396,Cc1nc(SCn2nnc3ccccc3c2=O)c2c(C)c(C)sc2n1
+,,,,,,,,,,,,,0.0,,,,CID1078736,COc1ccc2c(c1)Cc1sc(NC(=O)c3ccccc3)nc1-2
+0.0,,,,0.0,,,,,,,,,,,,,CID652747,Cc1coc(NC(=O)CSc2nc(-c3ccncc3)cc(C(F)(F)F)c2C#N)n1
+,,,,,0.0,,,,,,,,,,,,CID878870,Cc1ccoc1C(=O)NCc1ccccc1
+,,,,,,0.0,0.0,0.0,,0.0,,,,,,0.0,CID649258,N#CCCN(C1CCCCC1)S(=O)(=O)CCOc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID12005487,COc1ccc(N(C(=O)COc2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID665303,O=C1c2sc3nc4ccccc4n3c2C(=O)N1c1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID3688989,CC(C)(C)C1CCc2c(C(=O)N/N=C/c3cccs3)csc2C1
+,,,,,,,,,,,0.0,,,,,,CID915834,CC1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID2400177,N#CCC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID3237339,COc1ccc(C2CC(=O)N3C(=C2C#N)SCC3(O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2241274,O=C1NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID1229711,CC(=O)Nc1ccc(S(=O)(=O)N/N=C/c2ccc(C)s2)cc1
+,0.0,,,,0.0,0.0,,,,,,,,,0.0,,CID646149,CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-n3nc(C)cc3C)c3ccccc23)n1
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID2594211,Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID645987,CCN(CC)C(=O)C1CCN(CC2CC=CCC2)CC1
+,0.0,,,,,,,0.0,,0.0,,,,,,,CID661692,O=C(CN1C(=O)c2ccccc2C1=O)NCc1ccncc1
+0.0,,,,,,,,,,,,,,,,0.0,CID2429730,COc1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1OC
+0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,,CID647746,Cc1nnc(SCc2ccc(Cl)cc2)n1CC1CCCO1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID1788010,O=C(NCCCNC(=O)c1cccs1)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID5338343,c1ccc(Nc2ccc3nc4ccccc4nc3c2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID16193491,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)Nc4cccc(F)c4)c3C2=O)CC1
+,,,,0.0,,,,,,,,,,,,0.0,CID662929,Cc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CN(C)CC4
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID648223,COc1ccc(OC)c(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID2432730,O=C(COC(=O)c1cnccn1)Nc1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID653068,COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)cc1
+,,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,CID646178,CCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1
+0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID1548246,CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2836875,CCOC(=O)C1C(=O)N(C(=O)c2cncc(Br)c2)CC1c1ccccc1
+0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,CID2089374,O=c1c2ccccc2nnn1CSc1nnc(Nc2ccccc2)s1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID666257,CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2936647,COC(=O)c1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Br)cc4)CC3)C2=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1164509,Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccc(S(N)(=O)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2858125,CN(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
+0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,CID656271,COc1ccc(C2=NCC(=O)N(CC(=O)NCc3ccco3)c3sc4c(c32)CCCC4)cc1
+0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0,0.0,CID666392,CCN1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1
+,,,0.0,,,,,,,,,,,,,,CID719011,Clc1ccc(CSc2ncn[nH]2)cc1
+0.0,,,,,,,,,,,,,,,,,CID991955,Cc1nn(C(=O)CCCC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl
+,,,,,,,,,,0.0,,,,,,,CID971668,COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N
+,,,,,,,,,,,,,0.0,,,,CID1589778,Cc1ccccc1OCCSCc1nc2ccccc2[nH]1
+,,,,,,,,,,0.0,,,,,,,CID680599,CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(C)=O)cc12
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID2997107,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cccc(F)c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID866920,COc1ccccc1C(=O)OCn1nnc2ccccc2c1=O
+,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,CID665270,CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
+0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,,,0.0,CID655526,Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(C)n4)n23)cc1
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+,,,,,,,,,,,,,,0.0,0.0,,CID648675,Cc1ccc(C)c2nc(N3CCCC3)c(C#N)cc12
+,,,,,,,,,,,,,0.0,,,,CID1715236,Cc1ccc(C(=O)/C=C\C(=O)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5030739,COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C(\C)c3ccncc3)c2)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID5310802,CSc1nnc2c(n1)OC(c1ccsc1)N(C(C)=O)c1ccccc1-2
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,,CID659566,O=C(NC1CCCCC1)n1c(=O)oc2ccccc21
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID3244944,Cn1c(=O)n(C)c2cc(/C=N/n3cnnc3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID3998829,O=C(CN1CCOCC1)N/N=C/c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID654790,Cc1cc(C)nc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,,,,,0.0,,,,,0.0,,,,,CID2207757,N#CCCN(CCC#N)C(=O)c1ccc2c(c1)OCO2
+,,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,0.0,CID3236755,COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1
+0.0,0.0,,,,,,,0.0,,0.0,,,,,,,CID1329847,Cc1onc(-c2ccccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O
+0.0,,,,,,,,0.0,0.0,,,,,,,,CID5309651,Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCCC3)C(C)C)cc2s1
+,,0.0,,,,,,,,,,0.0,,,,,CID5310487,Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccccc2)s1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID990955,O=C(CSc1nnc(-c2ccccc2)n1C1CCCCC1)N1CCCC1
+,,,,,,,,,,,,0.0,,,0.0,,CID5322374,COc1cc(C2C3=C(N=C4N=CNN42)c2ccccc2CC3)cc(OC)c1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID3207162,CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)cc2)nnc1-c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID3545566,Cc1ccccc1NC(=O)C(C)O/N=C/c1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,0.0,,,CID5348482,N/C(=N\OC(=O)C(c1ccccc1)c1ccccc1)c1cccnc1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID645360,CCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC3CCCO3)cc2)CC1
+,0.0,,0.0,,,,,,,,,,,,,,CID1259263,Cc1ccc(Nc2nc(Oc3ccc(=O)[nH]n3)nc(N(C)C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1735885,Cc1ccc(-c2nnc(SCC(=O)NNC(=O)COc3cccc4ccccc34)n2C)cc1
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+,,,,,0.0,,,,,,,,,,,,CID1955243,S=c1[nH]nc(C2CCCCC2)n1/N=C/C=C/c1ccccc1
+0.0,,,,,,,,,,,,,0.0,,,,CID5309241,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID914303,O=C(c1ccc(Cl)cc1)c1coc2ccc(O)cc12
+0.0,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,,CID888381,COC(=O)COc1cccc(NC(=O)COc2ccccc2)c1
+,,,,,,,,,,0.0,,,,,,,CID1243762,COc1cc(/C=C(/C#N)c2ccc(F)cc2)ccc1OCc1ccc(C(=O)O)o1
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,CID646201,CCc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)o2)cc1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID644948,COc1ccc(C)cc1NC(=O)CSc1nnnn1Cc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID652458,COC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc12
+0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,CID1212243,O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID656345,O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID6625000,CCN1CCN(c2c(C(=O)c3ccc(OC)cc3)cnc3ccccc23)CC1
+,,,,,0.0,,,,,,,,,,0.0,,CID519621,COc1ccc2[nH]c3ccccc3c2c1
+,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,CID2919510,CCN(CC)C(=O)C1CCN(S(=O)(=O)c2ccc3oc4ccccc4c3c2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3228810,CC(C)(C)NC(=O)CN1CCC(O)(c2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,,0.0,,,CID2231579,CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(Br)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID3240278,CC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)CCCCC1
+,,,0.0,0.0,,,,,,,,,,,,,CID644776,CC1(C)CC2(CCO1)NCCN1C(=O)CSC12
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID2332294,Cc1c(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,,,,,,,,,,,CID3244658,CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN(C)Cc1ccccc1
+,,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID665587,COC(=O)c1c(NC(=O)CN2CCCC(C)C2)c2c(C)cccc2n1C
+,0.0,,,,0.0,0.0,,,,,0.0,,,,,,CID659424,CCCCCCn1c(NCC)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,,,0.0,CID3154602,CCc1ccccc1N1CC23C=CC(O2)C(C(=O)O)C3C1=O
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID655369,COc1cccc(CNC(=O)C2CCN(c3cnccn3)CC2)c1
+,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID2956090,COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2887727,O=C1c2ccccc2NC(c2ccc(Cl)cc2)N1Cc1ccccc1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID648937,COc1ccc(Cl)cc1C(=O)Nc1nnn(C)n1
+,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID653738,CC(C)C(=O)Nc1ccc(NC(=O)c2cccs2)cn1
+,,,,,,,,0.0,,,,,,,,,CID3222063,Cc1ccc(C(C(=O)NCc2ccccc2)N(C(=O)c2csnn2)c2cccc3ccccc23)o1
+,0.0,,,,,,0.0,,,,,,,,,,CID5310433,CC(C)c1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID1566546,CCCCOC(=O)Cn1cnc2ccc(Br)cc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2975740,COc1ccc2sc(N3C(=O)CC(Cc4cccc(C)c4)C3=O)nc2c1
+,,,,,,,,,,0.0,0.0,0.0,,,,,CID2117110,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1
+,,,,,,,,0.0,,,,,,,,,CID2193453,CC(=O)Nc1c(O)nc(SCC(=O)Nc2sc3c(c2C#N)CCCCCC3)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID627056,Clc1cccc(Cl)c1-c1nnc2cccc(Cl)n12
+,,,,,,,,0.0,,,0.0,,,,,,CID3155764,CCCN1C(=O)SC(CC(=O)Nc2cccc3ccccc23)C1=O
+,,,,,,,,,,,,,,0.0,,0.0,CID646656,CC1Cc2ccccc2N1C(=O)Cn1nnc(-c2ccccc2NC(=O)C2CCC2)n1
+,,,,,,,,,0.0,,,,,,,,CID3241169,COc1cc2c(C(=O)Nc3ccc4c(c3)OCO4)cn(CC(C)C)c(=O)c2cc1OC
+,,,0.0,,,,,,0.0,,,,,,,,CID2956182,COC(=O)C(NC(=O)C(NC(=O)c1ccccc1)C(C)C)C(C)C
+0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID3238953,CCCCCOc1ccc(OC(=O)c2ccncc2)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID1172545,COc1cccc(OCc2nnc(SCC(=O)NCc3ccco3)n2C)c1
+,0.0,,,,,,,,,,,0.0,,0.0,0.0,,CID666202,CN1CCN(C2=NC3(CCCC3)C(C#N)C(=O)N2)CC1
+,,,,,0.0,,,,,,,,,,,,CID900690,Cc1ccc(C)n1NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16187921,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2cc(CC(C)C)[nH]c(=O)n2)n1
+0.0,,0.0,,,0.0,,,,,,0.0,,,,,,CID663658,CCCCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2235773,CCOc1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)ccc1Br
+,,,0.0,,,,,,,,,,,,,,CID661390,c1ccc(Oc2cc(-n3cccn3)ncn2)cc1
+,,,,,0.0,,,,0.0,,0.0,0.0,,,,,CID2898093,CC12CCC(C(=O)N3CCCc4ccccc43)(CC1=O)C2(C)C
+,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,CID3241871,CCOC(=O)C1CCN(C(=O)CCn2c(=O)[nH]c3ccsc3c2=O)CC1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID4319366,CCn1c(SCC(=O)N2CCCC2)nc2c(c1=O)SC(C)C2
+,,,,,,,,,,,,,0.0,,,,CID3544553,c1ccn(-c2ccc(-c3ccn[nH]3)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID2140705,Cc1ccc(S(=O)(=O)NC(=S)NC2CCCCC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID645568,COc1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)c1
+,,,0.0,,0.0,,,,,,,,,,,,CID650109,COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1
+,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID3237783,CCN1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=O)[nH]c3c2)CC1
+,,,,,,,,,,,0.0,,,,0.0,,CID3237405,Cc1ccc2c(c1)NCC(C(=O)NC1CCCCC1)O2
+,,,,,,,,,,,0.0,,,,,,CID1419129,O=C(O)CCc1n[nH]c(=S)[nH]c1=O
+,,,0.0,,,,,,,,,0.0,,,,,CID664770,O=c1ccccn1Cc1ccccc1F
+0.0,,,,,,,0.0,,,,0.0,,,,,0.0,CID2106481,O=C(Cn1c(=O)[nH]n(-c2ccccc2)c1=O)N1CCCc2ccccc21
+,,,,0.0,,,,,,,,,,,,,CID3235893,COc1ccc(-c2cc(C(F)(F)F)nc(NCc3ccco3)n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID3806842,COC(=O)c1ccccc1NC(=O)Oc1ccc(F)cc1
+0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID3240055,Cc1nc2sc(C(c3cccc(F)c3)N3CCCCC3)c(O)n2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID2469988,CN(CC(=O)Nc1ccccc1Cl)C(=O)CSc1nc2ccccc2s1
+,,,,,0.0,,,,,,,,,,,,CID1133285,Cc1cc2cc3c(N)[nH]nc3nc2cc1C
+,,,,,,,,,,,,,0.0,,,,CID6400963,CSc1nnc2c3cc(C)ccc3n(Cc3ccccc3)c2n1
+,,,,,,,,,,,,,,,0.0,,CID5389313,CCCCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N(C)c1ccccc12
+,,,,,0.0,,,,,,,,,,,,CID5337561,C/C(=N/NC(=O)c1ccccc1)C1CC1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID1040306,O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCCc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID2852353,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCCN1CCOCC1
+0.0,,,,,,,,,0.0,,,,,,,,CID779063,O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1
+,,,,,,,,,0.0,,,,,,,,CID3244322,CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccc(O)c1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID2927707,COc1nnc(-c2ccc(C)c(S(=O)(=O)NCCO)c2)c2ccccc12
+,,,,,,,,,,,0.0,,,0.0,,,CID5337202,CCCc1ccc(/C=C2\C(=O)c3ccccc3C(=O)\C2=C(/O)OCC)cc1
+,,,,,,,,,,,,,,0.0,,,CID832064,CCn1ncc(C(=O)Nc2cccc(Cl)c2)c1C
+,0.0,,0.0,,,,,,,,,,,,,,CID3236544,CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3519223,Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID979773,COc1ccccc1C(=O)NCc1ccc(-c2nc3ccccc3s2)cc1
+,,,,,0.0,0.0,,,,,,,0.0,,,,CID2322121,N#CC1=C2Sc3ccccc3N2CCCC1=O
+,,,,0.0,,,,,,,,,,,,,CID2696974,CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID5389400,CC(=O)NC1=NC2=NC(c3ccccc3)=CC(c3ccc(F)cc3)N2N1
+,,,,,,,,,,,,,0.0,,,,CID5377206,CC(NO)=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
+,,,,,,,,,,,,,,0.0,,,CID971230,CCOc1ccccc1NC(=O)NCc1cccnc1
+,,,0.0,,,,0.0,,,,,,,,,,CID2101068,c1cncc(CNC2=NCCC2)c1
+0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,,,CID652356,CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID701066,C=CCS(=O)(=O)c1nc2ccccc2s1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2979403,Cc1ccc(OC(C)C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
+0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,CID664693,CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(Cl)ccc3OC)CC2)s1
+,,,,,0.0,,,,,,,,0.0,,,,CID842304,CCn1ncc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C
+,,,,,,,,,,,,,,0.0,,,CID2315851,CCOC(=O)/C(=C/c1ccc(OC(=O)c2ccccc2)cc1)C(C)=O
+,,,,,,,,,,,,,,0.0,,,CID766646,O=C(Nc1ccncc1)c1ccccc1[N+](=O)[O-]
+,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID2213751,CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1
+,,,,,,,,,,,,,,0.0,,,CID2206813,CC(=O)c1cccc(NC(=O)NNC(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID655295,CCn1c(SCC(=O)NC)nnc1C(C)C
+,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,,,CID2392214,O=C(CSc1ncn[nH]1)NCCCc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID749711,CCOC(=O)c1cc(CC)sc1/N=C/C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,,,,,,0.0,,,,CID1759540,COc1ccc(OC)c(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C)s2)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID5310015,O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1
+,,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0,CID659341,COC(=O)c1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1
+,,,,,0.0,,,,,,,,,,,,CID874540,CC(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,,0.0,,,,,,,,,,,,,CID3621087,Cc1csc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12
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+0.0,,,,,,,,,,0.0,,,,,0.0,,CID2999983,CCC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C
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+,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID2956804,CCN1CCN(C(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)CC1
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+,,,,,0.0,,,,,,,,,,,,CID3591781,CCOC(=O)N1CCN(C2CC(=O)N(c3ccccc3)C2=O)CC1
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+,,,,,0.0,,,,,,,,,,,,CID1253179,Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1C
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+,,,,,,,,0.0,,,,,,,,,CID3136873,CCCCC1=NN(C(=O)c2cocc2C)C(O)(C(F)(F)F)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID2238788,Cc1ccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID3244660,CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1
+,,,,,,,,,,,,0.0,0.0,,,,CID778332,Cc1ccnc(NS(=O)(=O)c2cccs2)c1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID2224093,C=CCc1cccc2cc(C(=O)NC)c(=O)oc12
+,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,CID1243050,Cc1ccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)cc1
+0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID3242425,O=C(NC1CCCC1)c1cc(-c2cccs2)on1
+,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID2202424,Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccnc3)no2)cc1
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+,,,,,,,,0.0,,,,,,,,,CID1312969,O=C(NCCC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,,,,CID4397610,O=C(COC(=O)c1ccccn1)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID2353470,Cc1cc(Br)ccc1SCC(=O)OCC(=O)Nc1ccccc1C#N
+,,,,,,,0.0,,,,,,,,,,CID2204445,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)CC(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID799130,CCOc1ccc(C(=O)NC(=S)NC2CCCC2)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID2902952,O=[N+]([O-])c1ccccc1CN1CCN(Cc2ccccn2)CC1
+,,,,,,,,,1.0,,,,,,0.0,,CID5742542,C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc(OC(F)F)cc2)o1
+,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,CID942591,Cc1nc(-c2cccc(S(=O)(=O)N3CCCCCC3)c2)cs1
+,,,,0.0,,,,,,,,,,,,,CID3373842,CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2CC)SC(C)C3)cc1
+,,,,,,,,,,0.0,,,,,,,CID2545339,Cc1sc2nc(CN3CCOCC3)nc(NS(=O)(=O)c3ccccc3)c2c1C
+,,,,,,,,,,,,,0.0,,,,CID2583301,Cc1cc(C)c(OCC(=O)Nc2nc3ccccc3[nH]2)c(C)c1
+,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,CID5447087,CN1C(SCC(=O)NCc2ccc3c(c2)OCO3)=NN/C1=C1\C=c2ccccc2=CC1=O
+,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,0.0,CID834158,CC(C)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID9550622,CC(C)C(NS(=O)(=O)c1cccc2nsnc12)C(=O)NCCC1=CCCCC1
+,0.0,,0.0,,,,,,,,,,0.0,,,0.0,CID3240796,O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCc3cccnc3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID5085030,Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)ccc1Cl
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,,CID3239433,CCCc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2
+,,,,,,,,,0.0,,,,,,,,CID3229224,Oc1ccc(N2CCN(C(c3ccccn3)c3nnnn3C3CCCC3)CC2)cc1
+,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,0.0,0.0,CID653957,O=C(CN1CCCCCC1)OCCNC1=NS(=O)(=O)c2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID665755,Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccnc2)no1
+,,,,0.0,,,,0.0,,,,,,,,,CID3241156,CCOC(=O)N1CCN(C(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID2842706,COc1cc(C)c(CN2CCCCC2CO)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2424504,Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2350211,COc1ccc(CCNC(=O)CSc2ccc(Br)cc2)cc1OC
+,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID661583,COC(=O)c1c(-n2cnnn2)sc(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID2474351,O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2925567,CCOC(=O)C1=C(C)N(C)C(=O)C1CC(=O)O
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID2056403,CC(=O)OCCNC(=O)c1cc2ccccc2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID1092438,COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1088311,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccn3)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID3707794,COc1ccc2nc3ccccc3nc2c1NC(=O)c1ccc(Cl)cc1
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID651458,CC1CCCCN1C(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID864274,CCn1nnnc1SCC(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1470637,CC(C)(C)CC(=O)Nc1nnc(SCC(=O)Nc2ccccc2F)s1
+,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,CID779678,Cn1c(O)cc(=O)nc1SCC(=O)Nc1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID3242319,Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID3241881,CCOC(=O)C1CCN(C(=O)C2CCN(c3nc4ccc(OC)cc4s3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID3226277,CCCC(=O)N1CCCC(c2nc(-c3cccs3)no2)C1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2246289,CC1=C/C(=N/OS(=O)(=O)c2ccccc2)C=CC1=O
+,,,0.0,,,,,,,,,,,,,,CID2347622,c1cncc(-c2nc(-c3ccco3)cs2)c1
+,,,,,0.0,,,,,,,,,,,,CID4444272,O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,0.0,CID2970288,CC1CN(C(=O)c2cc(F)c(F)cc2Cl)CC(C)O1
+,0.0,0.0,,,,,0.0,,,,,,,0.0,,,CID663648,O=C1CCCc2nc(N3CCc4ccccc43)ncc21
+,,,,,0.0,,,,,,,,,,,,CID2519136,Cc1cccc(-c2nnc(SCC(=O)NCc3ccc4c(c3)OCO4)n2C)c1
+,,,,,,,,,,,,,0.0,,,,CID16193229,CN1CCN(C(=S)c2cn(Cc3cccc(F)c3)c3ccccc23)CC1
+,,,,,,,,,0.0,,,,,,,,CID662088,COC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCC(C)C)CC1
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID648912,CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)s1
+0.0,,,,,,,,,0.0,,,0.0,,,,,CID2493020,CCCn1c(=O)c2ccccc2n2c(SCCOc3ccc(C)cc3)nnc12
+,,,,,,,,,,,,,0.0,,,,CID1472037,COC(=O)c1c(C(=O)OC)c(-c2cccc(Cl)c2)n2c1CS(=O)C2
+,,,,,,,,,,,,,,0.0,,,CID701673,COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C
+,,,,,,,,,,,,,,0.0,,,CID1912855,OCCNc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
+,,,,,,,,,,,,,,0.0,,,CID1256430,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccc1
+,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,CID2970718,O=C(NCCCn1ccnc1)c1cc2c(s1)CCCCC2
+1.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID647315,O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1ncn[nH]1
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+,,,,,0.0,,,,,,,,,,,,CID5347385,CN1C(=O)/C(=N\OC(=O)c2cccc3ccccc23)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1241682,NS(=O)(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID1583576,COCCNS(=O)(=O)c1cc(F)ccc1OC
+,,0.0,0.0,,,,,,,,,,,,,,CID2972248,c1ccc2c(c1)OCC(c1nnc3sc(-c4cnccn4)nn13)O2
+,,,,0.0,,,,,,,,,,,,,CID2962157,CS(=O)(=O)c1ccc2nc(NC3(C(F)(F)F)N=C4SCCN4C3=O)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID4258569,CCNC1=NN=C(c2ccc(C)cc2)CS1
+,,,,,,,,,,,0.0,,,,,,CID1387083,CCc1nnc(NC(=O)c2cccnc2)s1
+,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,,,CID1245951,CC(=O)Nc1cccc(NC(=O)c2cc(C)on2)c1
+,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,CID846778,COc1ccc(C)cc1N(CC(N)=O)S(=O)(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID5339437,CC(=O)Nc1ccccc1/C=C/c1ccc2c(C)cc(C)c(O)c2n1
+,,,0.0,,,,,,,,,,,,,,CID2883009,NC(=O)NC1CCCc2c1[nH]c1ccc(Cl)cc21
+0.0,,,,0.0,,,,,,,,,,,,,CID2999101,CCc1ccc(C2=Nn3c(nnc3-c3cccs3)SC2)cc1
+,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,CID70848,c1ccc(-c2cccc(-c3ccccn3)n2)nc1
+,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,CID2104373,CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1cccs1
+,,0.0,,,,,0.0,,,,,,,,,,CID2168256,CCCN(CCC(=O)Nc1ccccc1F)CC1CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID1471078,N#Cc1cc(S(=O)(=O)c2ccccc2)c(N)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID2440848,O=C(NC(Cc1ccccc1)C(=O)NC1CCCCC1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID788322,Cc1ccc(C(=O)CNc2cccc([N+](=O)[O-])c2)cc1
+,,,,,0.0,,,,,,,,,,0.0,,CID3244709,COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)C
+,,,,,,,,,,,,,,0.0,,,CID1471752,CSc1ccc(C#N)cc1NC(=O)c1ccc(Cl)nc1
+,,,,,,,,,0.0,,,,,,,,CID6817366,O=C(/C=N/O)CCCCCCN1CCCCCC1
+,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,,CID2789522,Cc1n[nH]c(=O)nc1NCc1ccccc1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID646174,CS(=O)(=O)N1CCC(C(=O)Nc2ccc(F)cc2F)CC1
+,,,,,,,0.0,,0.0,0.0,,,,,,,CID5307101,O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccn1
+0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,CID891880,N#Cc1c(-c2ccccc2)[nH]c(N2CCCCCC2)nc1=O
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID2354963,CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID1956827,CCCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2207551,CC(=O)c1ccc(NC(=O)Nc2ncn(Cc3cccc(C)c3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID565049,O=S(=O)(Nc1cccnc1)c1ccc(C2CCCCC2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,,CID662553,c1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID3176513,COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCN(Cc4ccc5c(c4)OCO5)CC3)cc2c1
+,,0.0,0.0,,,,,,,,,,,,,,CID4362792,CCOc1ccc(CCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1OCC
+,0.0,,,,,,,,,,,0.0,,,,,CID5310360,COc1ccc(OC)c(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID285318,O=[N+]([O-])c1cc(Cl)ccc1N1CCCCC1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID5307797,COC(=O)C1=NC2=NC3=C(C(=O)CC(C)(C)C3)C(c3cccc(Cl)c3)N2N1
+,,,,,,,,0.0,,,,,,,,,CID2948527,CCOC(=O)c1sc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)c(C#N)c1C
+,,,,,0.0,,,,,,,,,,,,CID9550588,CCOC(=O)c1cnc2ccc(OCC)cc2c1N1CCN(c2ccccc2OC)CC1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID893657,Cc1ccc(CN(C#N)c2nc(C)cc(C)n2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID408190,CCN(CC)CCNc1ccnc2cc(Cl)ccc12
+0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,CID655549,Cn1c(SCC(=O)c2cccs2)nnc1-c1ccco1
+,0.0,,,,,,,,,,,,,,0.0,,CID3238984,Cn1c(C(=O)O)c(CC(=O)N2CCN(Cc3ccccc3)CC2)c2ccccc21
+,,0.0,0.0,,,,,,,,,,,,,,CID3237408,O=C(NCCCN1CCOCC1)C1CC(=O)N(C2CCCCC2)C1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID664190,Cc1cc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2cc1C
+,,,,,,,,,0.0,,,,,,,,CID2863135,CCCCN(/N=N/c1nonc1OC)c1nonc1OC
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID945821,CCc1ccc(CCC(=O)Nc2ccc(C)cc2C)o1
+,,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID895152,O=C(c1ccc2c3c(cccc13)CC2)N1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1486770,CNC(=O)c1oc(-c2ccc(Cl)cc2)nc1C
+,,,,,,,,,,,0.0,0.0,,,0.0,,CID5307926,Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NC(C)CCc1ccco1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID1158633,C=CCn1c(SCC(=O)c2cccs2)nc2sc(CC)cc2c1=O
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID664765,N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1
+,0.0,,,0.0,,,,,,,,,,,,,CID3240678,FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccnc2)n1
+,,,,,,,,,,,,0.0,,,,0.0,CID667189,COc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,CID1548039,COc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID2960923,Cn1c(SCC(=O)Nc2nccs2)nnc1C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID2264893,COc1ccc(-c2occ(C(=O)O)c2C(=O)O)cc1
+,,,,,,,,0.0,,,,,,,,,CID2411392,O=C(CSc1ncn[nH]1)Nc1c(F)cc(F)cc1Br
+,,,,,,,,,,,,,0.0,0.0,,,CID2445490,O=c1c2ccccc2nnn1COc1cccc2ccccc12
+,,,0.0,0.0,,,,,,,,,,,,,CID4155687,CC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2cccs2)cs1
+,,,,,,,,,,,,,,0.0,,,CID5441735,Cc1ccc(C(=O)N/C(=C/c2cccnc2)C(=O)NCc2ccco2)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID657614,CC(C)CC(NC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID842981,CCOc1cccc(C(=O)Nc2ccc(N(CC)CC)cc2)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID704584,Clc1ccc(Nc2nc(-c3cccnc3)cs2)cc1
+,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,CID2997543,CC(NC(=O)COC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,,CID2400918,O=S1(=O)CCN2C=Nc3sc4c(c3C2=N1)CCCC4
+0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3240472,CCOC(=O)c1c(C)c(C(=O)N(C)C2CCCCC2)c(C)n1C
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID5307620,O=C(Nc1ccccc1F)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,0.0,,0.0,,0.0,0.0,,,,,,,,CID971355,COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SC)c1
+,,,0.0,,0.0,,0.0,,,,,,,0.0,,,CID650395,CCCCCCC1CC(CSc2ncn[nH]2)OC1=O
+,,,,,,,,,,,,,,,0.0,,CID2014552,CCOc1cc(C2C(C#N)=C(N)SC(N)=C2C#N)ccc1OCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID12006215,COc1cc(/C=N/OCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2356870,Cc1cc(NC(=O)CC#N)n(-c2ccccc2)n1
+,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID654493,Cc1cccc(NC(=O)CCc2ccc(C)o2)c1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID666305,COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1OC
+,0.0,,,,,,,0.0,,,,,,,,,CID1243750,NC(=O)Cn1nnc(-c2ccc(C(F)(F)F)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID4234703,O=C(CN1C(=O)NC2(CCCC2)C1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,CID663197,COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID2874392,COc1ccc(/C=N/Nc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2322056,Cc1cc2ccccn2c1C(=O)c1ccc(Cl)cc1
+,,0.0,,,,,,,,,,,,,,,CID3242926,COc1cc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)ccc1OC(=O)N1CCOCC1
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+,0.0,,,0.0,,,0.0,,,,0.0,,,,,,CID3240502,COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
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+,0.0,,,,,,,,,,,,,,,,CID645931,CC(=O)N1C(=O)N(C)C2C1N(C(C)=O)C(=O)N2C
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+,0.0,,0.0,,,,,,,0.0,,,,,,,CID657772,Cn1c(NCc2cccnc2)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C
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+,,,,,,,,0.0,,,,,0.0,0.0,,0.0,CID2059472,CCCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,0.0,,,,,,0.0,0.0,,,0.0,0.0,CID650988,CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2cccc(C)c2)s1
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+,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID2999921,C=C(C)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=S)CCC2
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+,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,CID737695,COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC)cc2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID607286,CCOC(=O)c1cc(C(C)(C)C)oc1CN
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+,,,,,,,,,,,,,0.0,0.0,,,CID2527109,CC(=O)c1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1
+,,,,,0.0,,,,,,,,,,,,CID302307,O=C1CCCC2=C1C(c1ccncc1)Nc1ccccc1N2
+0.0,,,0.0,,,,,,0.0,,,,0.0,,,,CID875617,CC(C)NC(=O)CSCc1ccccc1Cl
+0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,CID655699,CC(C)N(C(=O)CSc1nnc(NC(=O)C2CCC2)s1)C(C)C
+,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID650081,CC(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
+,,0.0,0.0,,,,,,,,,,,,,,CID2961942,Cc1cc(C)c2c3c(sc2n1)C1(CCSCC1)C(C#N)=C(N)O3
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+,,,,,,,,,,0.0,,,,,,,CID743125,CCc1nn(-c2ccccc2)c(N)c1-c1ccc(OC)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID741342,CCOC(=O)c1ccc(CSc2nncn2N)o1
+0.0,0.0,,,1.0,0.0,,,,,0.0,0.0,,,,,0.0,CID666249,Clc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID738739,Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)O)CCC2
+,,,,,,0.0,,,,,,,,,,,CID5309725,Cc1cc(C)cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
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+,,,,,,,,,,,,,,0.0,,,CID16193422,C/C(=N\NC(=O)CNC(=O)c1ccccc1F)c1ccc2c(c1)CCCC2
+,,,,,0.0,0.0,,,,,,,,,,0.0,CID5308187,O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2094919,Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2s1
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+,,0.0,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,CID3138773,CC1=C(C(=O)OCCOC(C)C)C(c2cccnc2)C2=C(CCCC2=O)N1
+0.0,,0.0,,,,0.0,,,,,0.0,,,,,,CID661257,COCC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
+0.0,,,0.0,,,,,0.0,,,,,,,,0.0,CID2999689,COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O
+,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID690626,CSc1nc2ccccc2n1CC(=O)Nc1ccccc1
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+,0.0,,0.0,,,,0.0,,,,,,,,0.0,,CID847063,CC(C)c1nnc(NC(=O)C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID4050346,CCCCC(CC)CNC(=O)C(=O)C1C(=O)Nc2ccccc21
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID2997811,CC1CCCC(C)N1C(=O)COc1ccc(-c2nnco2)cc1
+0.0,,,,,0.0,,0.0,,,,,,,,,,CID5308656,Cc1cccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)c1
+,,,,,,,,,0.0,,,,,,,,CID2862808,Cc1cc(Cl)ccc1OCCCC(=O)NCC1CCCO1
+0.0,,,,,,,0.0,,,,0.0,,,,,0.0,CID2389306,COc1ccc(C)cc1-n1c(N)c(C#N)c(C#N)c1-c1ccc(OC)c(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID2384712,Brc1ccc(-c2nc3ccccc3s2)s1
+,,,0.0,,,,,,,,,,,,,,CID653670,CCS(=O)(=O)N1CCCC(c2nc(-c3cccc(OC)c3)no2)C1
+0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3235920,O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCCCC1)NCc1ccccc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID650315,Cc1cccc(NC(=O)C2CCCN(C(=O)NC3CCCCC3)C2)c1C
+,,,,,,,,,,,,,,0.0,,,CID2942698,CC(=O)Nc1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc2)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3237029,CC(C)(C)n1ncc2c(=O)n(CC(=O)Nc3ccc4c(c3)OCO4)cnc21
+,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,CID597002,COc1ccc(C(=O)NCc2cccnc2)cc1OC
+,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,CID3239221,CCC1CCCCN1CCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1
+,,0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,CID662639,CCOC(=O)CNC(=O)C1(c2ccccc2)CCCC1
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+,0.0,,,,0.0,,0.0,,,,,0.0,,,,0.0,CID3242746,CCOC(=O)N1CCN(CC(=O)c2ccc3c(c2)CCN3)CC1
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+,,,,,,,,0.0,,,,,,,,,CID1318357,O=S(=O)(c1ccc(Br)s1)N1CCC(Cc2ccccc2)CC1
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+,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,0.0,CID1640927,CCCCOC(=O)Nc1ccc(C(=O)OC)cc1
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+,,,,,,,,,,,,0.0,,,,,CID3243235,COc1ccc(N(C(=O)c2ccccc2OC)C2C=CS(=O)(=O)C2)c(OC)c1
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+,0.0,,,,,,,,,,,,,,0.0,,CID650214,CCOC(=O)C12CNC(=O)C(C(=O)OCC)(CNC1=O)C2
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+,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID653607,CCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2
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+0.0,,,,0.0,,,,,,,,,,,,,CID654690,CC1CCCC(C)N1C(=O)CSc1nnnn1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID9550990,Cc1cc(C(=O)Nc2c(C)nn(Cc3ccc(F)cc3)c2C)on1
+0.0,,,0.0,,,,0.0,,0.0,,,,,,,,CID2833553,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID651629,CCCC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,0.0,,,0.0,,,CID598294,CC(=O)N(Cc1c(C#N)c2ccccc2n1C)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID722201,CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc(C)c1C
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+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2488274,CCCCn1c(SCn2nnc3ccccc3c2=O)nc2cc(C(=O)OC)ccc2c1=O
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+,,,,,,,,,,,0.0,0.0,,,0.0,0.0,CID1500196,Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)COc1ccc(Cl)cc1C
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+,,,,,,,,,,,,,0.0,,,,CID2479492,CCCCOc1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID1259460,COC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1483049,O=C(Nc1cc2c(oc1=O)CCCC2=O)c1cccc(Cl)c1
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+,,,,,,,,,,0.0,0.0,,,,,,CID743631,Cc1ccnc(NS(=O)(=O)Cc2ccccc2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1246367,O=C(c1ccc(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID3240242,CCCNC(=O)c1cc(-c2ccco2)on1
+,0.0,0.0,,,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,CID2159428,CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)c(OC)c2)n1C
+,,,,0.0,,,,,,,,,,,,0.0,CID3237714,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)cc1OC
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+0.0,,,,,,,,,,,,,,,,,CID2550753,O=C(Cc1ccc(S(=O)(=O)N2CCCC2)s1)Nc1nc2c(s1)CCCC2
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID649619,O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)NCc1ccccc1
+,,,0.0,0.0,,,,,,,,,,,,,CID3245424,Cc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCCOC(C)C
+,0.0,,,,,,,,,,,,,,,,CID876292,CCOc1nonc1C(N)=C(C(C)=O)C(C)=O
+,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID652419,COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2C)ccc1NC(=O)c1ccco1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID651657,OC1(c2cn(Cc3ccccc3)nn2)CCCCC1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,,CID1242558,COc1ccc(N(C(C)=O)S(=O)(=O)c2cc(OC)ccc2OC)cc1
+,0.0,,,,,,,,,,,,,,,,CID3240979,O=C(CCN1C(=O)COc2ccccc21)NCCN1CCOCC1
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+,,,0.0,,,,0.0,,,,,,,,,,CID3242653,CC1CCCCN1Cc1ccc(-c2nn[nH]n2)cc1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID2997762,CC(C)(C)C1CCc2nc(NC(=O)Cc3cn4ccsc4n3)sc2C1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID1074835,COc1ccc(S(=O)(=O)N2CCN(Cc3c[nH]c4ccccc34)CC2)cc1
+0.0,,,,,,0.0,,0.0,,,,,0.0,,,,CID884833,CN(C)S(=O)(=O)Nc1ccc(Br)cc1F
+,,,,,,,,,,,0.0,,,,,,CID850531,COC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C
+0.0,,0.0,,,,,,,,,,0.0,0.0,,0.0,,CID2957949,CC1Cc2ccccc2N1C(=O)c1ccnc(C(C)(C)C)c1
+,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,0.0,CID1087322,CCOC(=O)C1CCN(C(=O)c2cccc(C(=O)N3CCC(C(=O)OCC)CC3)c2)CC1
+,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,CID2404323,O=C(CCC(=O)c1cccs1)Nc1ccccc1F
+,,,,,,,,,,0.0,,,,,,,CID4273034,CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3cn4cc(Cl)ccc4n3)c2)CC1
+0.0,,,,,,,,,0.0,0.0,,,,,0.0,,CID3240871,CCc1ccccc1Nc1ccc(C(=O)O)cc1N
+,,,,,0.0,,,,,,,,,,,,CID155874,CCOC(=O)CC(=O)Nc1ccc(C)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID665826,CCCn1nc(NC(=O)c2cccs2)c2cc3cc(OC)ccc3nc21
+,,,,,0.0,,,,,,,,,,,,CID858840,COc1cccc(N2CCN(C(=S)Nc3cccc(C)c3)CC2)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2739696,CC(=O)Cc1nsc(Nc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID6377798,CCOC(=O)/C(=C\c1ccc(Cl)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1
+,,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID666092,Cc1cc(C)c(N2/C(=N/C(=O)CCCC(=O)O)SC3CS(=O)(=O)CC32)c(C)c1
+0.0,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID1344279,COC(=O)c1sc2nc(-c3ccccc3)nc(N3CCN(C)CC3)c2c1C
+,,,,,0.0,,,,,,,,,,,,CID3240041,CCCCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID2869389,c1cncc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)c1
+,,,,,,,,,0.0,,,0.0,,,,,CID652631,COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
+,,0.0,,,,,,,,,,,,,,,CID2997818,Cc1cc(=O)oc2cc(OCC(O)CN3CCN(c4ccc(F)cc4)CC3)ccc12
+,,,,,0.0,,,,,,,,,,,,CID831915,COc1ccc(OC)c(/C=N/NC(=O)c2csc3ccccc23)c1
+,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,,CID3000175,CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)NC2=NCCS2)C(C)C)c1
+0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,,CID3000167,O=C(Nc1nccs1)c1cc(N2CCOCC2)nc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID697435,CCOC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID649774,Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NCc3ccccc3)c3cccc(C)c3C)n2)o1
+,,,,,,,,,,,,,0.0,,,,CID730897,N#Cc1cc(-c2ccccc2)oc1NC(=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID867844,Cc1cc(Nc2ccccc2)n(-c2ccc(Br)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1219007,O=C(NN=C1CCN(Cc2ccccc2)CC1)c1cc2ccccc2cc1O
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID2193273,Cc1ccc(N2C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C2=O)c2cccnc12
+,0.0,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,CID766333,CC(C)Nc1nc2n(c(=O)n1)CCN2C(C)C
+,,,,,,,,,,,,,,0.0,,,CID16189214,CC(C)NC(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1
+,,0.0,,,,,,,,,,,,0.0,,,CID660549,CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
+,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID4097145,COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID4131002,O=C(NOC(=O)c1cc(Br)ccc1Cl)c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID5309252,CC(C)N(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)Cc1ccccc1
+0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,CID651779,COC(=O)c1sc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c(C#N)c1C
+,,,0.0,0.0,,0.0,,,,,,,,,,0.0,CID3235595,CSc1c(CC(=O)NCCO)n(C)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID1258345,Fc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1Cl
+,,,,,0.0,,0.0,0.0,,,,0.0,,,0.0,,CID658725,COc1ccc(Cn2nc(C)cc2C)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID4136788,Cc1cc(C)c2c(N)c(S(=O)c3ccc(C(C)(C)C)cc3)sc2n1
+,,,,,0.0,,,,,,,,,,,,CID2880303,COc1ccc(COC(=O)N/N=C(\C)CC(=O)Nc2c(C)cc(C)cc2C)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID2998733,CCOC(=O)c1sc(N)c(C(=O)OCC)c1COC(=O)C1CC(=O)N(Cc2ccco2)C1
+,0.0,,,,,,,,,,,0.0,,0.0,,,CID684507,COc1nc(Nc2ccc(C(C)=O)cc2)nc(OC)n1
+,,,,,,,,,,,,,0.0,,,,CID2441718,COc1ccc(NC(=O)c2ccccc2)cc1NS(=O)(=O)c1ccc(F)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID3239879,CCC1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5307303,CN(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1cccc2cccnc12
+,,,,,,,0.0,,,,0.0,,,,,,CID802933,Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(F)c2)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID1221234,CCSc1nnc(NC(=O)c2cccnc2Cl)s1
+,,,,,,,0.0,,,,,,,,,,CID4229735,Cc1cc(NC(=O)COc2cccc(C)c2C)no1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID662677,c1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2670572,COc1ccc(OCC(=O)NNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1248685,COc1ccc2nc(NC(=O)COC(=O)CN3C(=O)c4ccccc4C3=O)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID991027,CC(=O)Nc1ccc(-c2csc(NC=C3C(=O)OC(C)(C)OC3=O)n2)cc1
+0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0,CID660964,Cc1c(NS(=O)(=O)c2cccc3nsnc23)c(=O)n(-c2ccccc2)n1C
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID2999464,C=CCn1c(SCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CCC)nnc1-c1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID202779,Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3245043,Cc1cccc(CN2CCN(CC(=O)O)C2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID4779718,CCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID901192,Cn1c(-c2ccccc2O)cc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID2766541,CN(C)/C=N/C(=S)Nc1ccc(Br)cc1F
+,,,,,0.0,,,,,,,,,,,,CID808846,O=C(Nc1ccccc1)Nc1nnc(-c2ccc(Cl)cc2)s1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2128137,CSc1ncccc1C(=O)OCC(=O)NC(=O)NCCC(C)C
+,,,,,,,,,0.0,,,,,,,,CID982254,CS(=O)(=O)N(CC(=O)NCc1ccccc1Cl)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1211193,Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1C
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID3076954,COc1ccc2oc(C)c(C(=O)Cn3ccnc3)c2c1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,CID704121,Cc1noc(C)c1CSc1nnc2sc3ccccc3n12
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID655212,CCOC(=O)CSc1nc(N)c(C#N)c(CC(C)C)c1C#N
+0.0,,,,0.0,,,,,,,,,,,,,CID662820,COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC
+,,0.0,,0.0,,,,,,,,,,,,,CID2532727,Cc1csc(SCc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1
+,,,,,,,,,,,,,0.0,,,,CID2158048,COCCNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cccs1
+,,,,,,0.0,0.0,,,,,,,,,,CID2861871,Cc1nc2ccc(C(=O)O)cc2c2c1CC(C)S2
+,,,,,,,,,,,,,0.0,,,,CID807405,Cc1cccc(-n2nc3c([n+]2[O-])CCc2nonc2-3)c1C
+,,,,,0.0,,,,,,,,,,,,CID1922801,CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5441576,Cc1c(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID650944,COC(=O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID707153,CCOC(=O)c1c[nH]c2c3c(ccc2c1=O)CCCC3
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID661665,CCOC(=O)/C(C#N)=C1/SC(CCO)C(=O)N1c1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,,CID653771,COc1cc(OC)cc(C(=O)NC2CC3CCC(C2)N3Cc2ccco2)c1
+,,0.0,,,,,,0.0,,,,,,,,,CID3236429,CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NC(C)CC)cc3)c(=O)c2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID1442755,Cc1cccc2cc3c(N)c(C(=O)Nc4ccc(N5CCOCC5)cc4)sc3nc12
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+,,,,,,,,,0.0,,0.0,,,,,,CID787042,COc1ccccc1NC(=O)c1cccnc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3239592,CCCCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccsc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID972135,CN(C)c1ccc(C(=S)NC2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID665406,COc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2949891,CCCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)cc1
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+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID715668,CC(C)c1nnc(NC(=O)CN2C(=O)c3ccccc3C2=O)s1
+,,0.0,,,,,,,,0.0,,,,,,,CID2292015,Cc1cc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)ccc1F
+,,,,,,,,,,,,,,0.0,,,CID2968114,O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1
+,,,,,,,,,,,,,0.0,,,,CID79416,O=C(O)c1cc(Cl)c2ccccc2c1O
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+,0.0,,,,,,,,,,,0.0,,,,,CID2998819,CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3241900,CCOc1ccc(OCC)c(NC(=O)CCn2c(=O)oc3ccccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID2767178,CC(=O)c1ccccc1NS(=O)(=O)c1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID878912,Cc1cccc(-n2c(C)cc(/C=N/NC(=O)c3ccco3)c2C)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID5309013,CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12
+,,,,0.0,,,,0.0,,0.0,,,,0.0,,,CID2229277,CCOC(=O)CC(=O)CSc1nc2sc(C)cc2c(=O)n1Cc1ccco1
+,,,,0.0,,,,,,,,,,,,0.0,CID1143178,CCOC(=O)N1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID877801,Cc1ccc2c(CC(=O)O)coc2c1
+,,,,,,,,,,,,,0.0,,,,CID2022387,CCCNC(=O)NC(CCSC)C(=O)OC
+,,,,,,,,,0.0,,,,,,,,CID2998154,CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCn1nnc3ccccc3c1=O)n2CC
+,,,,,,,,,,,,,,0.0,,,CID1473210,O=C(c1ccccc1)c1c[nH]c(C(=O)NNc2cccc(Cl)n2)c1
+,,,,,0.0,,,,,,,,,,,,CID808847,Cc1ccccc1-c1nnc(NC(=O)Nc2ccccc2)s1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID653167,COCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1
+,,,,,,,,,1.0,,,,,0.0,,,CID4130529,Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)c(C)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3239784,Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c1
+,0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,CID666405,N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCCC3
+0.0,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,CID666082,CC(C)c1ccc(N2C(=O)C3Cc4ccccc4CN3C2=O)cc1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID599277,CC(C)(C)C1(C)OC(C(N)=O)C(C(N)=O)O1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID1251504,O=C(Nc1ccc2c(c1)OCO2)c1cnn2cccnc12
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID662559,O=c1/c(=C/c2ccco2)sc2nc(-c3ccccc3Br)nn12
+,0.0,,,,,,,,0.0,,,,,,,,CID2998922,Cc1ccccc1Nc1nc(N)nc(COC(=O)C(NC(=O)c2ccco2)C(C)C)n1
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+,,,,,,,,,,,,,,0.0,,,CID852890,COc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1
+,,,,,,0.0,,,,,,,,,,,CID646533,c1ccc2nc(-c3nc4ccccc4[nH]3)ccc2c1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID3427821,CCn1cc(C2=NCCO2)c2ccccc21
+,0.0,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,0.0,CID2891573,CC1=C(C(=O)OC(C)C)C(c2ccccc2Cl)CC(=O)N1
+,,,,,,0.0,0.0,,,0.0,,,,,,0.0,CID802312,COc1ccc(C2(C(=O)N3CCCC3)CCOCC2)cc1OC
+,,,,,,0.0,,,0.0,,,,,,,,CID535305,CC12CN3CC(C)(CN(C1)C3c1cccnc1)C2=O
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID740110,COc1ccc(NC(=O)CCN2CCCCCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID804588,Cc1cc(N)n2nc(-c3ccc(C(C)(C)C)cc3)cc2n1
+,,,,,,,,,0.0,,,,,0.0,,,CID2931540,CC1CC(C)CN(C(=O)c2ccncc2)C1
+,,,,,0.0,,,,,,,,,,,,CID1089220,CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1
+0.0,,,,,,,,,,,,,,,,0.0,CID1044226,Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)n[nH]1
+,,,,,,,,,,,,,,0.0,,,CID4583474,CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID5221237,CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1
+0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,,CID2532225,Cc1cc(C(=O)CSc2nncs2)c(C)n1-c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID1451531,O=C(Nc1nnc(-c2cccs2)s1)C1CC1
+0.0,,,,,,,,,,,,,,,,,CID661367,Cc1cc(C)n(CC2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)n1
+,,0.0,,,,,,,,,0.0,0.0,,0.0,,,CID2184789,Cc1cccc(OCCOCCSc2ncccn2)c1
+,,,,,,,,,,0.0,,,,,,,CID211017,COc1ccc(C(=O)c2c[nH]c3ccccc23)cc1
+,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,CID2381457,O=C(CN1C(=O)CCC1=O)Nc1ccc2c3c(cccc13)CC2
+,,,,,,0.0,,,,0.0,,0.0,,,0.0,,CID650140,c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3nc4ccccc4s3)CC2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID857583,CNC(=O)CSc1nnnn1-c1cc(C)ccc1C
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID1246999,CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3csc4ccccc34)cc2)CC1
+,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,0.0,CID653992,O=C(CCC1(C(=O)O)CCC(=O)NC1)NCc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID2970948,O=C(Nc1c(F)cc(F)cc1Br)C1CCCO1
+,0.0,,,,,0.0,,,,,,,,,,,CID2998845,CC1CCc2c(C(=O)Oc3cccc(-n4cnnn4)c3)csc2C1
+,,,,,,,,,0.0,0.0,,,,,,,CID2572183,CSc1ccccc1C(=O)NCc1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID765418,CCOc1ccccc1CN1CCC(O)CC1
+,,,,,,,,,,,,,0.0,,,,CID877490,Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID9549987,CC(C)Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1
+0.0,,0.0,,,,,,,,,,,,,,,CID2998008,CC(C)CN(CC(C)C)c1nc(N)c(C#N)c(CC#N)c1C#N
+,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,CID654186,CCCCOc1ccc(NC(=O)c2cnc(C)cn2)cc1
+,,,,,,,,,,0.0,,,,,,,CID947543,Cc1nn2c(C)nc3sc4c(c3c2nc1=O)CC(C)(C)OC4
+,,,,,0.0,,,,,,,,,,,,CID2914105,CC1CC(NC(=O)c2ncn[nH]2)CC(C)(C)C1
+,,,,,,,,1.0,,,,,,,,0.0,CID5353788,CCO/C([O-])=N/c1c[n+](N2CCOCC2)no1
+,,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID3244553,COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(NC(C)=O)ccc4OC)sc3n2)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID613500,c1ccc(-c2n[nH]nc2-c2ccccc2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID5389371,CN1CCN(Cc2c(O)ccc3c(-c4ccccc4)cc(=O)oc23)CC1
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID3314951,Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2cccc(O)c2)nc1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID5308986,O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCN(c2ccccc2F)CC1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID1287206,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1486730,Clc1cc(CSc2ccccc2)nc(-c2ccccc2)n1
+,0.0,,0.0,0.0,,,,,,,,,0.0,,,,CID655709,c1ccc(Cn2nnnc2CN2CCN(c3ncccn3)CC2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID2117922,COc1ccccc1CNC(=O)COC(=O)c1n[nH]c2ccccc12
+,,,,,,,,,0.0,,0.0,,,,,,CID3767937,N#Cc1c(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1732090,CCOC(=O)c1ccc(OS(=O)(=O)c2ccccc2)c(OC)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID1245179,COc1cccc2cc(C(=O)N3CCN(c4ncccn4)CC3)c(=O)oc12
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID762653,COc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1
+0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,CID2946748,CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1nnc(C)s1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID2243275,COc1ccccc1-c1nc(-c2cccc(C)c2)no1
+,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,CID3239733,COc1cccc(OC)c1OCCCc1c(C)n[nH]c1C
+,,,,,,,,,,,,,,0.0,,,CID2146790,CC(C)(CSc1ccccn1)NS(=O)(=O)c1ccccc1
+,,,,,,0.0,,,,,,,,0.0,,,CID675803,N#Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1
+,,,,,0.0,,,0.0,,,,,,,,,CID2200000,Cc1ccc(C(C)C)c(OCCCN2C(=O)NC(C)(C)C2=O)c1
+0.0,,,,,,,0.0,,,,,,0.0,,,0.0,CID654342,CCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1
+,,,,,,,0.0,,,,,,,,,,CID2535551,Cc1cc(C(=O)COC(=O)CCCN2C(=O)c3ccccc3C2=O)c(C)n1C
+,0.0,,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,CID647970,CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c2ccccc2c1=O
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+,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID3240313,O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccc(Cl)cc1
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+,,,,,0.0,,,,,,,,,,,,CID3239637,O=C(c1cc(-c2ccco2)on1)N1CCOCC1
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+,,,,0.0,,,,,,,,,,,0.0,,CID442549,CC1CCCC(=O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1
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+,,,,,0.0,,,,,,,,,,,,CID828564,CSc1nc(-c2ccccc2)nn1C(=O)c1ccc(C)cc1
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+,,,,,,,,,,,,,0.0,,,,CID738499,COC(=O)c1ccc(COc2ccc(C=O)cc2OC)o1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID2926370,CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)cc2)CC1
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+,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID3239979,COc1ccc(-c2nnc3ccc(SCC(=O)NCC4CCCO4)nn23)cc1
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+,,,,,,,,,,,0.0,,,,,,CID3360695,Cc1sc(-c2ccccn2)nc1OC(=O)c1ccc(Cl)c(Cl)c1
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+,,0.0,,,,,,,,,,,,,,,CID1102162,O=C(Nc1nccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID3702,CC1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
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+,,,,,,,,,,,,,,0.0,,,CID732505,Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2ccccc2)n1
+,0.0,,,,,,,,,,,,,,,,CID5310073,CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)C1
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+,,,,,,,,0.0,,,,,,,,,CID958647,COc1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O
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+,,,,,,0.0,,,,,,,,,,,CID2087569,Cc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1
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+,,,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,CID2216070,CC1(C)NC(=O)N(CCOCCSc2ccccc2)C1=O
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+,,,,,,,,,,,,,,0.0,,,CID4964129,OC(c1nnc(-c2ccccc2)o1)c1cccs1
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+,,,,,,,,,0.0,,,,,,,,CID2460445,CCN(CC(=O)NC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3
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+,,,,,,,0.0,,,,,,,,0.0,,CID227783,CN(C)c1ccc(-c2ccncc2)cc1
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID3242382,COc1cccc(-c2cc(C(=O)NC3CCCC3)no2)c1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3226918,CC(C)CCNC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C
+,,,,0.0,,,,,,,,,,,,,CID999019,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,,,,,0.0,,CID892336,CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID794052,Cc1ccccc1C(=O)Oc1ccccc1C(=O)N1CCOCC1
+,,,,,,,,,,,,0.0,,,0.0,,CID655914,Cc1ccc2c(c1)N(Cc1ccccn1)C(=O)C(C)O2
+,,,,,0.0,,,,,,,,,,,,CID2273342,COc1ccc(CNC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1
+,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,0.0,CID648210,NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID3610647,COC(CNS(=O)(=O)c1ccccc1)c1ccccc1
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+0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,0.0,0.0,CID2157644,O=C(CS(=O)(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCC1
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID1833452,CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1
+0.0,0.0,,,,,,,,,,,,,,,,CID4613977,Cc1ccccc1OCc1nc(-c2ccc(-n3cccc3)cc2)no1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID1803175,COCCSc1nnc(NC(=O)CSc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID3125006,CC(=O)C1=C(C)OC(N)=C(C#N)C1c1cccc([N+](=O)[O-])c1
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+,,,,,0.0,,,,,,,,,,,,CID4378441,O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1ccc2c(c1)OCCO2
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+,,,,,,,,,,,,,,0.0,,,CID1909055,CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID2166878,CCCCCC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1
+0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,,CID714358,Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(F)c(Cl)c2)n1
+,,0.0,0.0,,0.0,,,,,,,,,,0.0,,CID651585,COC(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3
+,,,,,,,,,,,,,,0.0,,,CID1295242,Cc1cccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2139894,Cc1ccc(NS(=O)(=O)c2cc3c4c(cccc4c2)C(=O)NC3=O)cc1
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+,,,,0.0,,0.0,,,,,,,,,,,CID3243101,Cc1cccc(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2C)c1
+,,0.0,,,0.0,,,,,0.0,,,,,,0.0,CID652755,CN1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1
+,,,,,0.0,,,,,,,,,,,,CID980283,O=C(Cn1cnc2cc(Cl)ccc2c1=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID3534085,CCCCc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2
+,,,,,,,,,,,0.0,,,,,,CID3238152,CCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C
+0.0,,,,,,,0.0,,,0.0,,,,,0.0,,CID653704,Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID5308402,CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1c1ccc(C)cn1
+0.0,,,,,,,,,0.0,0.0,,,,,0.0,,CID649282,CC(C)(C)c1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)Cc5cccs5)CC4)nc2-3)cc1
+,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,CID652561,CCn1cc(C(=O)NCc2ccc(OC)cc2OC)c(=O)c2ccc(C)nc21
+,,,,,,,,,,,,,,0.0,,,CID828452,O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccccn1
+,,,,,,0.0,,,,,,,,,,,CID2999500,CCOc1ccccc1C(=O)NCC(=O)OCC(=O)N1C(C)CCCC1C
+,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,CID1085450,COc1cccc(OCc2nc3ccccc3[nH]2)c1
+0.0,,,,,,,0.0,,0.0,,,,0.0,,,,CID842092,Cc1onc(-c2ccccc2)c1C(=O)Oc1cccnc1
+,,,,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,CID678654,O=C(NCCc1nc2ccccc2[nH]1)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1583828,COC(=O)c1c(C)oc2ccc(OC/C=C/c3ccccc3)cc12
+,,,,,,,,,,,0.0,,,,,,CID1714070,NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1
+,,,0.0,,,,,,0.0,,,,,0.0,0.0,,CID1230931,O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O
+,,0.0,,0.0,,,,,,,,,,,,,CID3245290,O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCO)NCC1CCCO1
+,,,,,,,,,,,0.0,,,,,,CID2918492,Cc1ccc(C(=O)C2C(c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)NC2(O)C(F)(F)F)cc1
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,CID660643,COc1ccc(NC(=O)c2c(C)cc(=O)oc2C)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID3641535,CCCCOC(=O)c1ccc(NC(=O)c2nn(C)cc2Br)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID4080323,O=c1oc2ccccc2cc1-c1nnc(NCc2ccco2)s1
+,,,,,,,,,,,,,,0.0,,,CID16191048,CC(C)(C)c1ccc(C(=O)C2CCCN(C(=O)CN3CCCC3=O)C2)cc1
+0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,CID652563,COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3cccc(C)c3)cc2c1
+,,,,,,,,,,,,,,,0.0,0.0,CID664705,CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12)c1ccc2c(c1)OCO2
+,,,,,,,0.0,,0.0,,,,,,,,CID2933274,COC(=O)N1CC(C)N(C(=O)OC)CC1C
+,,,,,,,,,0.0,0.0,0.0,,,0.0,,,CID2328724,C=CCn1c(NC(=O)CC)c(C(=O)OCC)sc1=S
+,,,,,,,,0.0,,,,,,,0.0,,CID653361,CCCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cn1
+,,,,,,,,,,,0.0,,,,,,CID2174309,Cc1cccc(C)c1NC(=O)C(=O)NCc1ccccn1
+0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,0.0,CID713198,O=S(=O)(Nc1cccc2ccccc12)N1CCCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID661189,Clc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1
+,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,CID976814,CN1C(=O)c2ccc(C(=O)NC3CCCCC3)cc2C1=O
+,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0,CID665287,COc1ccc(OC)c(N2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)c1
+,,,0.0,,0.0,0.0,,,,,,0.0,,,,,CID2999738,O=C(OCC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5356867,COc1ccc(C/C(N)=N/O)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID663421,O=C(CSc1ncnc2c1oc1ccccc12)N1CCN(c2ccccc2)CC1
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,CID1291048,C=C(C)Cn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3
+,,,,,,,,,,,0.0,,,,,,CID1301227,COc1ccc(CONS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID875553,Cc1ccc(CNC(=O)/C=C/c2ccccc2Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2146644,COc1ccc(CCNC(=O)c2ccc(CSc3ccccc3)o2)cc1
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID646123,O=C(CSc1nc2cccnc2n1Cc1ccccc1)NCc1ccco1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2259039,c1ccc(-c2ccc(-c3nc(-c4cccnc4)no3)cc2)cc1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID3240748,COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)o2)cc1Cl
+,,,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,CID888373,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID1790971,CCN(C(=O)CCC(=O)N(CC)c1ccccc1)c1ccccc1
+0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,CID1298160,Cc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2121896,Cc1ccc(CNC(=O)c2nc3nc(C)cc(C)n3n2)cc1
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID886514,Cc1cc(=O)oc2cc(OC(C)C)ccc12
+,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,CID649204,CCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
+,,,,,,,,,0.0,,,0.0,,0.0,,,CID3244939,CCOC(=O)N1CCC(=C(C#N)C(=O)Nc2cc(OC)ccc2OC)CC1
+,,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,CID970243,Cc1ccc(C)c(C(=O)CCC(=O)Nc2cccnc2)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID3812340,O=S(=O)(c1cccs1)n1nnc2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2997777,O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1
+,,,,,0.0,,,,,,,,,,0.0,,CID5307118,COc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)c1
+,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,CID963211,CCOC(=O)Cn1cc(C(=O)c2cccs2)c2ccccc21
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID650385,O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccc(F)cc1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID3532959,CCCCn1c(C(C)NC(=O)CC)nc2ccccc21
+0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,CID663738,COc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1
+,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,CID3236859,COc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1OC
+,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,CID650885,O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCCC1
+,,0.0,,,,,,,,,0.0,,,,,,CID716695,Cc1nc(CC(=O)O)c(-c2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID867145,CC1(C)CC(=NOC(=O)c2ccccc2)CC(C)(C)N1O
+,,0.0,,,,,,,,,,,,,,,CID3240151,COc1ccc(C(C(=O)Nc2ccc3c(c2)OCCO3)N(C)C(=O)CNC(C)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID727588,O=c1c2ccccc2cnn1-c1nc2ccccc2[nH]1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID776886,Cc1cc(C)nc(SCc2ccccc2C#N)n1
+,,,,,,,,,,,,,,0.0,,,CID1742917,CCOc1c(O)ccc(/C=C2\SC(=S)NC2=O)c1[N+](=O)[O-]
+,,,,,,,,0.0,,0.0,,,,,,,CID864359,CCOc1ccc(NC(=O)CSCC(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID764321,C=CCn1c(-c2ccc(OC)cc2)n[nH]c1=S
+,,,,,0.0,,,,,,,,,,,,CID4057772,Cc1ccc(NC(=O)Nc2ccccc2C#N)c(Cl)c1
+,0.0,0.0,,0.0,,,,0.0,,,,,,,,,CID645121,CC1CCCCC1NC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID1253418,Nc1nonc1C(=O)NC(c1ccccc1)c1ccccc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID627336,CC(=O)OC1N=C(c2ccccc2)c2cc(Br)ccc2NC1=O
+0.0,,0.0,0.0,,,,,,,,,,,,0.0,,CID3119235,Cc1cc(C)n(CC(=O)n2c3ccccc3c3ccccc32)n1
+,,,,,0.0,,,,,,,,,,,,CID2273449,O=C(Nc1sc2c(c1C(=O)NCCc1ccccc1)CCCCC2)c1ccccc1F
+,,,,,,,0.0,,,,,,,,0.0,,CID3236937,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(C)CC2)C1
+0.0,,,,,,,,,,,,,,,0.0,,CID645629,COCCn1nnnc1C(c1ccccc1Cl)N1CCN(c2ccccc2OC)CC1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID1087003,Cn1c(=O)c2c(-c3ccccc3)n3c4ccccc4ncc3c2n(C)c1=O
+,0.0,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,CID2124490,Cc1cccc(C)c1NC(=O)CCCSc1nnnn1C
+,,,,,0.0,,,,,,,,,,,,CID2891594,Cc1ccc(C(=O)N/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NCc2ccncc2)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID5307593,O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc21
+0.0,,0.0,,,,,,,,,,,,,,,CID5308914,COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)N5CCCCC5)CC4)cc(C)nc23)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID11838394,CCc1ccc(C(C)NC(=O)/C(C#N)=C\c2cn[nH]c2-c2ccccc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID713135,O=C(Oc1c(Cl)cc(Cl)c2cccnc12)N1CCCCC1
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,CID659847,CSc1nc(C)cc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID1308148,CSc1cccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)c1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID644611,COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID646089,CCOC(=O)c1c(-n2cnnn2)sc(C)c1C
+,,,,,,,,,,,,,,0.0,,,CID4685221,CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1
+,,,,,,,,,,,0.0,,,,,,CID990652,O=c1nc[nH]c2c1sc1nc3c(c(-c4ccc(Cl)cc4)c12)CCC3
+,,,,,,,,,,,0.0,,,,,,CID1474460,Cc1cc(N)n2ncc(-c3ccc(F)cc3)c2n1
+0.0,,,,,,0.0,0.0,,,,0.0,,,,,,CID665889,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCCc2ccccc2)CC(C)O1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID647818,c1ccc2oc(N3CCNCC3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID2247625,O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID2366352,CCCn1c(N)c(Sc2ccc(C)cc2)c(=O)n(CCC)c1=O
+0.0,,,,0.0,,,,,,,,,,,,,CID1102034,O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCN(c2ccccc2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID652863,Cc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,0.0,CID3237243,CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc(C(=O)N2CCCCC2)c1C
+,,,,,,,,,,0.0,,,,,,,CID1266502,CCOC(=O)c1nnn(-c2nc(OC)nc(N3CCCC3)n2)c1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID686164,CC(C)COc1ccc2[nH]c3c(c2c1)CCCC3=O
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID647997,CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(OC)c2c(c1)OCO2
+,,,,,,,,,0.0,0.0,,,0.0,0.0,,,CID1474735,O=S(=O)(Nc1cccc2c1ccc1cccn12)c1cccs1
+,,,,,0.0,,,,,,0.0,,,,,,CID842163,CCCc1cc(C(=O)N/N=C/c2ccc(C)o2)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID2349583,Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID723330,Nc1nc(-c2cccc(Br)c2)cs1
+0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,,CID3240622,Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C)on3)n2)c1
+,,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID992281,Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(N)=O
+,,,,,,,,,0.0,,0.0,,,,,,CID9550812,Cc1ccccc1-n1c(=O)c(C#N)cc2c(=O)n3ccccc3nc21
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID910923,CC(=O)C1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,0.0,,,,,CID3398598,Cc1cccc(C)c1OCC(O)Cn1ccnc1C
+,,,,,,,,0.0,,,,,,0.0,,,CID1298055,COc1ccc(NC(=O)Nc2ccc(Br)cn2)cc1OC
+,,0.0,,,,,,,,,,0.0,,,,,CID666978,Cc1ccc2c(c1)c1ncn(CCC3=CCCCC3)c(=O)c1n2C
+0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,CID712041,COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID1094857,CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5338336,O=C(c1ccccc1[N+](=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID763644,COc1ccc(CN2CCN(c3ccccc3F)CC2)cc1O
+,,,,,0.0,,,,,,0.0,,,,,,CID3148797,CC(=O)Nc1ccc(OCC(O)Cn2c3ccccc3c3ccccc32)c(C)c1
+,,,0.0,,,,,,,,,,,,,,CID49968,CC(C)Nc1nc(NC(C)C)nc(N(C)C#N)n1
+,,,,,,,,,,,,,,0.0,,,CID2276020,CN1C(=O)C(=Cc2ccccc2OCc2ccc(C(=O)O)cc2)C(=O)N(C)C1=O
+0.0,,,0.0,,0.0,,,0.0,,,,,,,,,CID3240254,COc1ccc(CN2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)c(OC)c1OC
+,,,,,,,0.0,,,,,,,,,,CID3239011,COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(CCN3CCOCC3)C3=C2C(=O)CC(C)(C)C3)cc1
+,,,,,,,,,,,,,,,,0.0,CID5307742,O=C(NCc1ccco1)c1nnc(Cc2ccc(F)cc2)o1
+,,,,,,,,,,0.0,0.0,,,,,,CID1244510,CCOc1cc(/C=N/NC(=O)CNc2cccc(C)c2)ccc1OC(=O)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1516852,Fc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3160513,O=C(NCc1ccccc1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID743073,Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccnc1
+0.0,,,,,,,,0.0,,,,0.0,0.0,,,0.0,CID652736,Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccccc3)c(=O)[nH]c2c1C
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID1048411,COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)C(C)C
+,,,,,,,,,,,,,,0.0,,,CID6534693,Cc1c(N/C(=N\S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C
+0.0,,,,0.0,,,,,,,,,,,,,CID3243804,COc1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID664638,CCOc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1
+,,,,0.0,,0.0,,,,,,,,,,,CID665841,COc1ccc(CNC(=O)c2ccc(=O)oc2)cc1OC
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID1246492,O=C(Cc1cccs1)NCc1ccccc1F
+,,,,,,,,,0.0,,0.0,,,,,,CID649332,CCC(C)(C)n1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCc2ccccc21
+,,,,,,,0.0,,,,,,0.0,,,,CID652907,CCN(CC)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID663305,C=CCn1c(SCC(=O)C(C)(C)C)nnc1-c1ccccn1
+,,,,,,,,,,,0.0,,,,,0.0,CID2265845,CC(C)(NC(=O)N1CCCC1)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1
+,,,,,,,,0.0,,,,,,,,,CID767988,CSc1nc(NC(C)=O)nc(C)c1Br
+,0.0,,0.0,,,,,,0.0,,,,,0.0,,,CID649247,Cc1cccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c12
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID5308164,Cc1cc(C(=O)N2CCc3ccccc32)n(-c2ccccc2)n1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID666896,CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccccc1
+,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,CID755190,O=C(OCCN1CCCCC1)c1ccc(O)cc1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID665473,Cc1cc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)n[nH]1
+,,,,0.0,,,,,,,,,,0.0,,,CID655935,COCCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1cccnc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2576591,CSc1ncccc1C(=O)NCc1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2892282,COC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4193163,O=C(COC(=O)CC1CCCC1)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID5742484,CC1CC(C)CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)C1
+,,,0.0,,,,,,,,,,,,,,CID2850531,CN(C(=O)OCc1ccccc1)C(CC(N)=O)C(=O)O
+,0.0,,,,0.0,,0.0,,,,,,,0.0,,,CID4342623,COc1nc(Nc2ccc3c(c2)OCO3)nc(OC)n1
+,,,,,,,,,,0.0,,,,,,,CID3361499,Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,,CID722475,O=c1/c(=C/c2ccccn2)sc2nc3ccccc3n12
+,,,,,,,,,,,,,0.0,,,,CID1470741,COc1ccccc1Sc1nc(-c2ccccn2)ncc1OC
+,,,,,,,,,,,,0.0,,,,,CID653775,CC1CN(C(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)CC(C)O1
+,,,,,,,,,,,,,,0.0,,,CID921484,O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1910808,O=C(CCC(=O)Nc1ccccc1)NCCO
+,,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID2315991,COc1ccc2c(c1)SC1=NCCS(=O)(=O)N12
+,,,,,,,,,,,,,0.0,,,,CID9551413,CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,,,,,,,,,,,0.0,CID2106915,C=CCn1c(-c2ccc(Cl)cc2)c[nH]c1=S
+,,,,,,,,0.0,,,,0.0,,,,,CID666130,COc1ccc2c(c1)[nH]c1c(=O)n(CCN(C)C)cnc12
+,,,,,,,,,,,,,,0.0,,,CID1390784,CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc2c(C)cc(=O)oc2c1
+,,,,,0.0,,,,,,,,,,,,CID1714173,COc1ccc(/C=C2\CCC/C(=C\c3ccc(OC)c(OC)c3)C2=O)cc1OC
+,0.0,,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,CID2917526,CC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID762960,O=[N+]([O-])c1ccc(CN2CCOCCOCCOCC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3532483,O=C(CC(Cc1ccccc1)c1ccco1)NC1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID3221701,COc1cc(C(=O)NCCCNc2nc3cc(C)cc(C)c3cc2C#N)cc(OC)c1OC
+,,,,,,,,,,0.0,,,,,,,CID9550525,CC1CCc2nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc3c(C(=O)O)c2C1
+0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,CID3238587,O=C(NCc1ccc(F)cc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID664933,Cc1nc(SCC(=O)Nc2ccc(F)cc2)c2oc3ccccc3c2n1
+,0.0,,,,,,0.0,,,,,,,,,,CID3241420,COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)on3)no2)c1
+,,,,,,,,,,0.0,,,,,0.0,,CID5309271,COc1ccc(C2N(c3cc(Cl)ccc3OC)C(=O)C3CCCN32)c(OC)c1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID3239260,CCCN1CCN(CCCNC(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID645286,COc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(F)c2)c1
+,,,,,0.0,,,,0.0,,,,,,0.0,0.0,CID2916358,CCOC(=O)C1CCCc2c1[nH]c1c(C(=O)O)cccc21
+,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,CID3235593,CC1CCCC(NC(=O)c2n[nH]c(=O)c3ccccc23)C1C
+,,,0.0,,0.0,,,,,,,,,,,,CID5771344,CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CC)s1
+,,,,,0.0,,0.0,,,,0.0,0.0,,,,,CID740589,CCOC(=O)Nc1ccccc1C(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2206292,CCOc1ccc(CC(=O)NNC(=S)Nc2ccc(OC)c(OC)c2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2536750,Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C
+,,,,,0.0,,,,,,,,,,,,CID1104087,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID2209137,CC(=O)Nc1cccc(NC(=S)Nc2cccc(Cl)c2Cl)c1
+,,,,,,,,0.0,,,,,,,,,CID1259451,COc1ccc(Cl)cc1S(=O)(=O)NCc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID646974,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2c2ccccc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID891602,Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)OCO2
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID5309118,COc1ccc(NC(=O)C(CCS(C)(=O)=O)N2Cc3ccccc3C2=O)c(OC)c1
+0.0,,,,,,,0.0,,,,,,,,,,CID647105,O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,0.0,,CID4887975,CCCCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID3235965,CN(C)C(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
+,,,,,,,,,,,0.0,,,,,,CID1357768,Cc1ccc(Cl)cc1N(Cc1ccc(C(=O)NCc2cccnc2)cc1)S(=O)(=O)c1ccccc1
+,,,,,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,CID707719,Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCC4
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID3244354,COC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID9550456,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(C)cc2)CC1
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID644712,Cc1sc(NC(=O)CSc2nnnn2C2CCCC2)c(C#N)c1C
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID2918622,CCCCN1C(=O)C2ON(c3ccccc3C)C(c3ccco3)C2C1=O
+,,,,,,,,,,,,,,0.0,,,CID5062886,O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCCCC1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID4047136,O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID653485,Cc1nc2ncnn2c(N2CCC(C(=O)NC3CCCC3)CC2)c1Cc1ccccc1
+,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,CID1041318,COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID4641020,Cc1cccc(NC(=O)c2cnc3sccn3c2=O)n1
+,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,CID2142327,O=C1CN(C(=O)c2cccs2)c2ccccc2N1
+,,,,,0.0,,,,,,,,,,,,CID2464226,Cc1csc(NC(=O)c2cccc(C)c2C)n1
+,,,,0.0,,,,,,,,,0.0,,0.0,,CID1085650,O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,0.0,,,,,,,,,,,,,CID2998220,O=C(Cn1c(CO)nc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+,,,,,,,,,,0.0,,,,0.0,,,CID1440866,CN(C)C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21
+,,,,,,,,1.0,,0.0,,,,,,,CID1078576,CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
+,,,,0.0,,,,,,,0.0,,,0.0,,,CID653150,CC(=O)Nc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2Cc2ccco2)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2450517,CCn1c(SCC(=O)NC(C)C)nnc1-c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID2906262,O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1082888,COc1ccc(C2(CNC(=O)Cc3ccc(OC)c(OC)c3)CCOCC2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,0.0,CID3237943,O=C(CSc1nc(=O)c2c([nH]1)CCCC2)Nc1ccc(Cl)cc1F
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID661302,Cc1ccc2[nH]c3c(c2c1)CCCC3C(N)=O
+,0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,CID661342,NC(=O)c1cc(-c2ccccc2)nc(N2CCOCC2)n1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID3236178,CC(=O)Nc1cccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
+,,,,,,,0.0,,,,,,,,,,CID155806,COCc1nc2c([nH]1)c(=O)n(C)c(=O)n2CC(C)C
+,,,,,,,,,,,,,,0.0,,,CID2148503,Cn1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc(=O)n(C)c1=O
+,,,0.0,,,,,,,0.0,,,0.0,,,,CID833988,Cc1ccc(CNc2ccc(O)cc2)cc1
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID973641,CCn1cc(Br)c(C(=O)N(C)Cc2ccccc2)n1
+,0.0,,,,,,,,,,,,,,0.0,,CID1082608,CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2862536,COc1ccc(NC(=O)C(Sc2ccccc2)c2ccccc2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2904447,CC1(C)C(=O)C2(CCCCC2)C(=O)OC1c1cccc([N+](=O)[O-])c1
+,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID656225,Cn1c(=O)c2c(nc(SC3C(=O)CC(C)(C)CC3=O)n2C)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID850408,O=C(Nc1ccccn1)c1onc2c1CCCC2
+,,,,,0.0,,,,,,,,,0.0,,,CID5335142,COC1=CC=C/C(=C\NNC(=O)C(=O)N2CCCC2)C1=O
+,,,,0.0,,,,,0.0,,,,,,,,CID1264043,O=C(O)Cn1nnnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2835337,CCCCC(=O)OCC(=O)c1ccc(OCC)cc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0,,CID735672,CCc1nc(SCC(=O)c2ccc(C)c(C)c2)n[nH]1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID3237417,CCc1ccccc1NC(=O)CCc1nc(-c2ccc(C)cc2)no1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID2999463,COc1ccccc1NC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID2787609,CC(NC(=O)c1ccccc1Cl)C(=O)O
+,,,,,,,,,,,,,0.0,0.0,,,CID2378569,CN(C(=O)COC(=O)c1n[nH]c2ccccc12)c1ccccc1
+,,,0.0,,0.0,,,,,,0.0,,,,0.0,0.0,CID655316,Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)n1
+,,,,,,,,,,0.0,,,,,,,CID5308545,CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1
+,,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID850044,CCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID2114647,Cc1cc2occ(CC(=O)NC3=NCCS3)c2cc1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID567550,CS/C(=N\C#N)N1CCN(/C(=N/C#N)SC)CC1
+,,,,,0.0,0.0,,,,0.0,,0.0,,,,,CID2998778,Cc1nn(-c2ccccc2)c2nc(-c3ccco3)cc(C(=O)O)c12
+,,,,,,,,,,,0.0,,,,,,CID900462,CCCn1nnc(NC(=O)c2ccc(F)cc2)n1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID3243905,Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n3ccccc3nc21
+,,,,,,0.0,0.0,0.0,,0.0,,,,,,,CID977540,NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID3238108,CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(C)c3ccccc23)CC1
+0.0,,,,,,,,,,,,,,,,,CID5307268,Cn1c(=O)cc(OCC(=O)N2CCC(N3CCCCC3)CC2)c2ccccc21
+0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID2214925,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID1245558,CCc1sc(C(=O)N2CCC3(CC2)OCCO3)cc1Br
+,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,CID717171,CS(=O)(=O)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2389139,O=C(COc1c(Br)cc(Br)c2cccnc12)N1CCc2ccccc2C1
+,,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID2947152,COc1cc(NC(=O)C2CCCO2)c(OC)cc1NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1435024,O=C(Cn1c(-c2ccccc2)noc1=O)N1CCC(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3521675,Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2cccc(Cl)c2)c2cccc3cccnc23)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID2545869,O=C(COC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)Nc1ccc2c(c1)OCO2
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+,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID3000031,Cc1cc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)n(-c2ccccc2)n1
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+,,,,,,,,,,,0.0,,,,,,CID4582945,CCCCNC(=O)Cn1c2c(c(-c3ccccc3Cl)cc1=O)CCC2
+,,,,,,,,,,,,,,,,0.0,CID661471,COc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID3664666,CC(C)=NNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2990385,CS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1
+,,,,,,,,,,,,,0.0,,,,CID6031825,Cc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])s1
+,,,,,,,,0.0,,0.0,,,,,,,CID2083052,O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID98541,CSc1nncc(-c2ccccc2)n1
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID650431,CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)CCc1ccc(OC)cc1
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+,,,,,0.0,,,,,,,,,,,,CID2881210,CS(=O)(=O)N1CCN(C2CCC(c3ccccc3)CC2)CC1
+,,,,,,,0.0,0.0,0.0,,,,,,,,CID1224770,O=C(c1cc2ccccc2oc1=O)N1CCCN(C(=O)c2cc3ccccc3oc2=O)CC1
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID2083498,COc1ccc(C(=O)NCCC(C)C)cc1S(=O)(=O)N1CCOCC1
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+,,,,,,,,,,0.0,0.0,,,,,,CID604122,Cc1cc(=O)nc(-c2ccccc2)[nH]1
+,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID664787,COc1ccccc1Nc1ncc(C(C)=O)c(C)n1
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID1094264,O=C(CSc1nc2ccccc2o1)N1CCN(c2ccccc2)CC1
+,0.0,,,,,0.0,0.0,,,,,0.0,,,,,CID2098570,CCCn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2997829,Cc1ccccc1OCCN1C(=O)NC2(CCc3ccccc32)C1=O
+,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,CID692689,O=C(NCc1ccco1)c1ccc2ccccc2c1
+,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID34623,CN(C)Cc1c(O)ccc2occ(C(O)c3ccccc3)c12
+,,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID645501,Cn1c(=O)c(C#N)c(-c2ccccc2)n2cnnc12
+,,,,,0.0,,,,,,,,,,,,CID4272393,Cc1ccc(N2C(=O)N(CC(=O)N3CCCc4ccccc43)C(=O)C2C)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID5647837,COc1ccc(C(=O)CSc2nc(=O)c3c(C)cc(C)nc3[nH]2)cc1OC
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID783099,CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
+,0.0,,0.0,,,,,,,0.0,,,,0.0,,0.0,CID1253408,Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccccc4)on3)n2)cc1
+,0.0,,0.0,,,0.0,,0.0,,,,,,,,,CID2850704,O=S(=O)(NCC1CCCO1)c1ccc2ccccc2c1
+0.0,,0.0,,,,,,,0.0,,,0.0,,,,0.0,CID1370292,CC(C)(C)NC(=O)c1cc(NC(=O)c2ccco2)cc(NC(=O)c2ccco2)c1
+0.0,,0.0,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,CID664315,N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,1.0,,,,,,,,,,,,,,0.0,CID2998237,COC(=O)C1=C(CN2CCCc3ccccc32)NC(=O)NC1c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID4880179,Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1Cc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID5055739,Cc1cc([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID749201,Cc1cc(C)n(C(=O)CN2C(=O)c3ccccc3C2=O)n1
+,,,,,,0.0,,,,,,,,,,,CID975236,Cc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1353215,COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID855252,CCn1nnnc1SCC(=O)Nc1cc(C)on1
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID2927534,C#CCN1C(=O)C(O)(CC(=O)c2cc(OC)ccc2OC)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID783182,S=C(Nc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID732141,COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID1363094,O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID649228,COCCNC(=O)CN(C(=O)CCC(=O)Nc1nccs1)c1ccccc1OC
+,,,,,,,,,,0.0,,,,,,,CID1168996,Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nnc2-c2cccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2467179,COC(=O)c1c(NC(=O)CN(c2ccccc2)S(C)(=O)=O)sc2c1CCCC2
+0.0,,,,,,,,,,,0.0,,,,,,CID972376,CCOc1cc(Br)c(C(=O)O)cc1OCC
+,,,,,,,0.0,,,,,,,,,,CID2961697,O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(F)cc2)C1
+0.0,,,,0.0,,,,,,,,,,,,,CID3255946,CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID658309,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccc(F)cc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID5308120,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCC1CCCO1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID1152555,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID3841301,C=CCNc1nc(-c2ccccc2)c(C(=O)OCC)cc1C#N
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID677673,Cc1cc(C(=O)O)c(CSCc2cc(C(=O)O)oc2C)o1
+,,,,,,,0.0,,,,,,,,,,CID662864,CCCCNC(=O)c1c(N)n(CCCOC)c2nc3ccccc3nc12
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID3244397,Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCOCC2)c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2532845,COc1cccc(NC(=O)CSc2nc(C)cs2)c1
+,,,,,,,,,,,,,0.0,,,,CID2729589,Cc1ccc(SC(CC(=O)c2ccc(C)cc2)C(=O)O)cc1
+0.0,,0.0,,,,,0.0,,,,,0.0,,,,,CID666715,O=c1cc(CN2CCN(CCO)CC2)c2cc3c(cc2o1)CCC3
+,,,,,,,,,,,,,,0.0,,,CID4252651,CCCCCn1c(SCC(=O)c2ccccc2)nc2cc(C(=O)NCc3ccco3)ccc2c1=O
+0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID4338757,O=C(NCCn1ccc2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID5308909,COCCN1Cc2cccc(C(=O)NCc3cccnc3)c2C1=O
+,,,0.0,,,,,,,,,0.0,,,,,CID2843583,O=C(Nc1cccc(F)c1)NC1CCCCC1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID4342,CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5754748,CC(C)OC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID646518,O=C(NCc1ccc2c(c1)OCO2)c1ccc(-n2cnnn2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2124908,O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)s1
+0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,CID656134,O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)NCc1ccco1
+0.0,,0.0,,,,0.0,,,,,0.0,,,,,,CID2097533,O=C(c1ccc(=O)n(Cc2ccccc2)n1)N1CCN(C/C=C/c2ccccc2)CC1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID1369870,O=C(Nc1ccc2c(c1)OCO2)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
+,,,,0.0,,,,,,,,,,,,,CID565818,COc1cccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1OC(=O)c1ccco1
+0.0,,,,,,,,,,0.0,,,,,1.0,0.0,CID654569,COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC
+,,,,,0.0,,,,,0.0,,,,,,,CID2109848,COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID877438,COc1ccc(-c2noc(-c3ccc(C)cc3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID991124,CC1(C)CC(=O)C(C2c3ccccc3S(=O)(=O)c3ccccc32)C(=O)C1
+,,,,,0.0,,,,,,,,,,,,CID5348092,Cc1cccc(OCC(=O)O/N=C(\N)c2ccc([N+](=O)[O-])cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID947646,O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc2nc[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2120155,COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)nc2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID657704,CC1(C)Cc2c(C#N)c(N3CCOCC3)nc(-c3ccccc3)c2CO1
+,,,,,,,,,,,,0.0,,,0.0,,CID1365020,COc1ccccc1N1CCN(CCc2n[nH]c(=S)n2-c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1009400,Cc1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(=O)n(-c2ccccc2)n1C
+0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,CID3240949,CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1
+0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,,CID1244679,CN1CCN(c2oc(-c3ccco3)nc2S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2312864,CC(C)(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2
+0.0,,,,,,,,0.0,,,,0.0,0.0,,,,CID1522463,COC(=O)CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1
+0.0,,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0,CID660459,CN(C)S(=O)(=O)NC(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4016301,Cc1ccc(OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c([N+](=O)[O-])n1
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID653730,Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCCCC1)n2Cc1ccccc1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID2967650,O=C(OC1CCc2ccccc2C1=O)c1ccccc1O
+,,,,,,,,,0.0,0.0,,,,,,,CID891377,Cc1ccc(CSc2nc(=O)c(-c3ccccc3N)n[nH]2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2888938,COc1ccc(N2C(=O)CC(Sc3nnc(N)s3)C2=O)cc1
+,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,CID2607957,COC(=O)c1ccc(CSc2ncnc3ccccc23)o1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID1246798,Cc1cc(C(=O)Nc2ccon2)cs1
+0.0,,,0.0,0.0,,,,,0.0,,,,,,,,CID666000,Cc1ccc(-n2c(SCc3ccc(C#N)cc3)nnc2-c2ccccn2)cc1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID3241391,O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID1010323,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1135496,COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(C)(=O)=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1457116,Cc1ccc2nc(N3CCN(S(=O)(=O)c4ccc(C)c(Cl)c4)CC3)c(C#N)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID3221628,Cc1cc2cc(C#N)c(NCCNC(=S)NCCCN3CCOCC3)nc2cc1C
+0.0,,,0.0,,,,,,,,,,,,,,CID5309331,CCn1c(=O)c2cc(C(=O)N3CCCC3)sc2c2ccccc21
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID3243886,CC(=O)NCCn1c(SCC#N)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2145775,CC(C)CN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S
+,,,,,,,,,,,0.0,,,,,,CID1475661,CN(C)c1ccnc(Oc2ccc(C(C)(C)C)cc2)c1C#N
+0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,CID3243504,CCC(C(=O)NCc1ccco1)n1nc(-c2ccc(OC)cc2)ccc1=O
+,,,,,,,0.0,,,,,0.0,,,,,CID973869,CN1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1071747,COc1ccc(-c2nnc(SCC(=O)N3CCOCC3)n2C)cc1OC
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID5388987,Cc1cnc(N/C(O)=C2\C(=O)c3ccccc3S(=O)(=O)N2C)s1
+,,,,,,,,,0.0,,,,0.0,,,,CID729793,CC(=O)c1c(C(C)=O)c(C)n(Cc2ccc(Cl)cc2)c1C
+,,,,,,,,,,,,0.0,,,,,CID1818132,O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCNCC1
+,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,CID686777,CCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID1235939,COc1ccc(NC(=O)c2cccc(Cn3cc(Br)cn3)c2)cn1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID3244757,Cc1cc(NC(=O)c2noc3c2CCCC3)no1
+,0.0,,,,,,,,,,,,,,,,CID658308,CCOc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID4230296,Cc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1
+,,,,,,,,,0.0,,0.0,,,,,,CID2235340,COC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID658950,CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccccc4)n32)C1
+,,,,,,0.0,,,,,,0.0,,,,,CID666290,O=C1C2C(Cc3ccc(O)cc3)NC3(C(=O)Nc4ccc(F)cc43)C2C(=O)N1c1ccccc1
+,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID973953,COc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1290133,CCOc1ccc(Cl)cc1S(=O)(=O)N1CCN(c2ccc(C)c(C)c2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID972536,Cc1cc(N2CCCC2)c(C)cc1C=O
+,,,,,,,,,,0.0,,,,,0.0,,CID3240113,CCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID531438,COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(C)cc1
+0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,CID650354,CCCn1c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccccc21
+,,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID2951764,Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1300205,O=C(COc1ccc2ccccc2c1Br)NCc1ccccn1
+0.0,,,,,,,,,,,,,,,,,CID3245310,CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)c(F)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID12005028,Cn1c(=O)cc(SCC(=O)NCCC2=CCCCC2)c2cc(Cl)ccc21
+,,,,,,,,,,,0.0,,,,,,CID2850045,COc1ccc(N(CC(=O)NN=C2CCCC2)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2487330,Clc1ccc(-c2nnc(CSc3nnc(-c4cccs4)o3)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID781738,NNC(=O)c1cnn(Cc2ccccc2)c1N
+,,0.0,,,,,,,,,,,,,0.0,,CID3244181,COc1ccc(-c2cc(N)n(CCC#N)n2)c(OC)c1
+,0.0,,,,,,,,,,,,,,,,CID3244274,O=C(Cn1cnc2c(nnn2Cc2ccccc2F)c1=O)NCc1ccco1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID653072,Cc1cc2ccccc2nc1SCC(=O)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2891164,COc1ccc(NC(=O)C2CC(=O)N(c3ccc(F)cc3)C2)c(OC)c1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID723041,Cc1cc(=O)nc(S/C=C/c2ccccc2)[nH]1
+,,,,,,,,0.0,,,,,,,,,CID899668,O=C1CCCN1c1cccc(Br)c1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2958806,COc1cccc(OC)c1C(=O)Nc1ccccc1C(=O)N1CCOCC1
+,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID655196,CCOc1ccccc1-n1c(SCC(=O)Nc2nccs2)nnc1-c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID1002176,O=C(Cc1ccc(Cl)cc1)Nc1ccc(C(=O)N2CCOCC2)cc1
+,,0.0,,,0.0,0.0,,,,,,,,,,,CID5770358,O=C1C=CC=C/C1=C1/NN=C(SCCN2CCOCC2)N1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3981948,COc1ccc(-c2nc(-c3ccc(Br)o3)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID242248,COc1ccc(C)cc1NC(=O)CC(C)=O
+,,,,,,,,,,,,,0.0,,,,CID2177892,Cc1ccccc1CSCCNC(=O)COc1ccc(Cl)cc1
+,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,,CID645036,CCc1ccc2oc(-c3cccc(NC(=O)c4cccnc4)c3)nc2c1
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+,0.0,,,,,,,,,,,,,,,0.0,CID715178,Cn1c(CNc2ccc(Cl)cc2)nc2ccccc21
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+,,,,,,,,,,,,,0.0,0.0,,,CID1479401,CCOC(=O)c1c(C#N)cnn1-c1ccc(C)cc1
+,0.0,,,,,,,,,,,0.0,,0.0,,,CID655936,O=C(CN1CCN(c2ccccc2)CC1)Nc1ccc(-n2cnnn2)cc1
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+,0.0,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID178054,O=C(Nc1cccc(Cl)c1)Nc1nccs1
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+,,,,,,,,,,,,,0.0,,0.0,,CID2170,Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2
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+,,,,,0.0,,,,,,,,,,,,CID673875,O=C(CCc1ccccc1)Nc1ccc(Cc2ccncc2)cc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID3237265,Cc1nc2ncnn2c(C)c1CCC(=O)NC(C)c1ccc2c(c1)OCCO2
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3239415,Cc1cccn2c(=O)c3cc(C(=O)N(C)C)n(C)c3nc12
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+,,,,,,,0.0,,,,,,,,,,CID255081,CN(C)c1ncc(C(=O)O)cn1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID753099,CCc1c(C)nc2cc(C)[nH]n2c1=O
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2999137,Nc1cnn(C2CCCO2)c(=O)n1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID3240417,O=C(CCNS(=O)(=O)c1cccs1)Nc1nccs1
+,,0.0,,,,,,,,0.0,0.0,,,,,,CID3235584,Cc1ccc(C)c(Cn2cnc3c(cnn3C(C)(C)C)c2=O)c1
+,,0.0,0.0,,,,,,,,,,,,,,CID3242825,Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCCCC2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID2932002,COCc1nnc(NC(=O)CC(c2ccccc2)c2ccccc2)s1
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+,,,,,,,,,0.0,,0.0,,,,0.0,,CID651391,CCn1nc(C)c(Oc2ccccc2O)c1C
+0.0,,,,,,,,0.0,,,,,,,,,CID1368638,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(F)c(Br)c1
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+,,,,,,,,,,,,,0.0,,,,CID5194709,CCOC(=O)C1C(=O)NC(c2ccccc2)=NC1c1ccc(Br)cc1
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID96606,CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C
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+,,,,0.0,,,,,0.0,,,,,,,,CID647978,O=C(NCc1ccc(F)cc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1
+,,,0.0,,,,,,,,,,,,,,CID1377475,COc1ccc(C(=O)c2c(C)oc3ccc(O)c(CN4CCOCC4)c23)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2906407,O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
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+,,,,0.0,,,,,,,,,,,,,CID1166837,O=C(CSc1nc2ccccc2nc1SCC(=O)N1CCOCC1)N1CCOCC1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID5308673,COc1ccc(C2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4)NN32)cc1OC
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+,,,0.0,,,,,,,,,,,,,,CID663458,O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccccc2)N1CC1CCCO1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1075912,O=C(O)c1ccc(Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1O
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+,,,,0.0,,,,,,,,,,,0.0,0.0,CID651572,COc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,CID648284,COc1ccc(-c2nc3ccccc3c(=O)n2CCCn2ccnc2)cc1
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID650456,O=C(Nc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c1)c1ccccn1
+0.0,,,,,,,,,0.0,,,,,,,,CID651645,CCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cc(C(=O)O)c2c1
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+,,,,,,,,,0.0,,,,,0.0,,0.0,CID2088501,Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID844549,Cc1cc(NC(=O)c2c(Br)c(C)nn2C)no1
+,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,,CID891760,CC(C)c1ccc(-c2[nH]c(N3CCCCC3)nc(=O)c2C#N)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310763,O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12
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+0.0,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,CID738368,COc1ccc(CNC(=O)Nc2cccc(C)c2)cc1
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+,,,,,,,,,0.0,0.0,0.0,,,,,,CID901191,COc1ccccc1-c1cc2ccccc2[nH]1
+0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID648552,COc1c(C)cccc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID875215,Cc1cc(/C=C(/C#N)c2cccc(Cl)c2)c(C)n1C
+,,,,,0.0,,,,,,,,,,,,CID1374203,COc1ccccc1OCC(=O)N/N=C1\SCC(=O)N1Cc1ccccc1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID4373353,COC(=O)c1ccc(N2CCOCC2)c(NC(=O)Nc2cccc(OC)c2)c1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5307327,CCN(CC)CCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
+,,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID3239734,COc1ccc(OC)c(NC(=O)CCNS(=O)(=O)c2cccs2)c1
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+,,,,,,,,,,,0.0,,,,0.0,,CID5308568,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(c3cc(C)ccc3C)CC1)O2
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+,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID3236731,COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)c1
+,,,,,0.0,,,,,,,,,,,,CID3249106,CCCNC(=O)Cn1c2ccccc2c2nc(=O)cc(C)n21
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3243812,CCCS(=O)(=O)N1CCC(C(=O)NCCN2CCCC2)CC1
+,0.0,,,0.0,,,,,,,,,0.0,,,,CID660158,COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1
+0.0,,,,0.0,,,,,,,0.0,,,,,0.0,CID3241637,FC(F)(F)c1cc(-c2ccco2)nc(-n2cnc3ccccc32)n1
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+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2435,Brc1c(NC2=NCCN2)ccc2nccnc12
+0.0,,,0.0,,,,0.0,0.0,,,,,,,,,CID659815,COc1ccc2[nH]cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID3239092,CCOC(=O)N1CCN(c2c(NCCc3ccc(OCC)c(OCC)c3)c(=O)c2=O)CC1
+0.0,,,,,,,0.0,,,,,,,,,,CID655928,O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)c1ccc(F)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID1252430,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CCCN1C(=O)c2ccccc2C1=O
+,,,,0.0,,,,,,,,,,0.0,0.0,,CID649591,COC(=O)CCC(=O)c1oc2ccccc2c1N
+0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID1246094,CCc1c(C(=O)Nc2ncn(Cc3cccc(C)c3)n2)csc1C
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID645359,COC(=O)CSc1nnc(-c2cnccn2)n1C
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0,CID3243401,CCOc1ccc(NC(=O)c2ccccc2CO)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2368588,CC(C)(C)c1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3239888,O=C1CC(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1
+,,,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,CID645048,CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(O)CN3CCOCC3)cc12
+0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,,CID2592865,O=C(CSc1ncccn1)NCc1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID3502230,CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2c(C)cccc2s1
+,,,,,0.0,,,,,,,,,,,,CID3138232,CCOc1ccc(NCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID659658,Cc1c(/C=N/CCOCc2ccccc2)cnn1C
+,,,,,0.0,,,0.0,,,,,,,,,CID403074,Cc1nc(Oc2ccccc2)c2oc3ccccc3c2n1
+0.0,,,,,,,,,,0.0,,,,,,,CID664549,COc1ccc(F)cc1CN1CCN(C(=O)CCC(=O)Nc2nnc(C(C)C)s2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID788085,Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID656321,O=c1[nH]cnc2scc(-c3ccsc3)c12
+,,,,,,,0.0,,,,,,,,,,CID808191,CCN(C(=O)c1cccc(F)c1)c1ccccc1C
+,,,,,,,,,,0.0,,,,,,,CID9551128,O=C(CCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc2c1=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1327702,Cc1nn(S(=O)(=O)c2cccs2)c(C)c1Sc1ccccc1
+,,,,,,,,,,,0.0,0.0,,,,,CID16175,COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID3236709,Cc1nc(SCC(=O)Nc2ccc(C(F)(F)F)cc2)c2c(=O)n(C)c(=O)n(C)c2n1
+0.0,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,CID973122,Cc1oc(-c2ccccc2)cc1C(=O)Nc1cccc(C(=O)O)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID3353822,CC(C)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID744715,Cc1sc2nc(C(C)(C)C)oc(=O)c2c1C
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID783028,CCN1CCN(Cc2c(OC)ccc3ccccc23)CC1
+,,,,,,0.0,0.0,,,,,,,,,,CID655665,COc1ccc(CCNC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)cc1OC
+,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,,,CID1298128,O=C(CCc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
+,,,,,,,,0.0,,,,,,,0.0,,CID2311460,CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCCN2CCOCC2)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID867011,COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID16191493,CCN(Cc1ccccc1)Cc1nc(CCc2ccccc2)no1
+,,,,,,,,,,,,,,0.0,,,CID882371,CC(C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
+,,,,,,0.0,,,,,,,,,,,CID651992,O=C(Nc1cccnc1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2849922,O=C(NCCCO)C(=O)NCc1ccccn1
+,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,CID3237562,COc1cccc(NC(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)c1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID2419809,O=C(CCSc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
+,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID645508,CCCn1nnnc1SCC(=O)NCc1ccc(OC)cc1
+0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID665217,C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(OC)c1
+,0.0,0.0,,,,,0.0,,,0.0,,,,,,,CID9579593,COc1ccc(C(=O)N/C(N)=N/c2nc3ccccc3o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3168354,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nccs3)n2C)n1
+0.0,,,0.0,,,,,,,,,,0.0,,0.0,0.0,CID3237765,COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1CCc1ccccc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID606565,COc1ccccc1N1CCSC1C(N)=O
+,,,,,,,,,,,,,,0.0,,,CID815741,CCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID2198258,Cc1ccc(Cl)cc1N1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1
+,,,,,,,,0.0,,,,,,,,,CID865080,Cc1sc2nc(SCC(N)=O)n(C)c(=O)c2c1C
+,,,,,0.0,,,,,,,,,,,,CID2890433,CC1CCN(c2cccc3c2C(=O)c2ccccc2C3=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID4875553,CC1Cc2ccccc2N1C(=O)CN1C(=O)C(=O)N(Cc2ccccc2)C1=O
+,,0.0,,,,,,,,,,,,,,,CID2938683,O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1246814,O=C(NN1CCOCC1)c1ccc(Br)s1
+,,,,,,,,,,,,,,0.0,,,CID16189703,O=C1C=C/C(=C/c2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)C=C1O
+,,,,,,,,,,,,,,,,0.0,CID2997856,COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccc(OC)cc3)CC2)cc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3240620,O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NC1CCCCCCC1
+,,,0.0,,,,,0.0,,,,,,,,,CID1302075,Cc1nn(S(=O)(=O)N(C)C)c(C)c1CN1C(=O)c2ccccc2C1=O
+0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,CID2877634,CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(Cc4ccccc4)CC3)C2=O)cc1
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID4894947,COc1ccc2ccccc2c1C1CC(=O)N2CN(Cc3ccco3)CSC2=C1C#N
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID644967,CCn1cc(C(=O)NC2CC3CCC2C3)c(=O)c2ccc(C)nc21
+,,,,0.0,,,,,,,,0.0,,,,,CID644661,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID1256631,CCOc1cc(S(=O)(=O)NC2CCCC2)ccc1Cl
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID783279,Cc1ccc(-c2c3c([nH]c(=S)c2C#N)CCCC3)o1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID4460650,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCc1c[nH]c2ccccc12
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID2561594,COc1cc(-c2nnc(Cn3cc(C(F)(F)F)ccc3=O)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID1481815,COC(=O)C1CCN(c2cc(Cl)nc(N)n2)CC1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID663036,COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,,,CID4114331,COc1ccccc1CNC(=O)c1cnc2sccn2c1=O
+,,0.0,,,,,,,,,,,,,0.0,,CID2772518,OCCn1c(SCCOc2ccccc2F)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID767330,CC1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4969712,Fc1ccc(C(CNC(=S)NC2CCCCC2)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1143554,COc1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1Br
+0.0,,,,,,,0.0,,,,,,,,,,CID586333,COc1ccc(N(C)C(=O)CC2(CC(=O)O)CCCCC2)cc1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID680636,CCOC(=O)CC(=O)Nc1ccc(Br)cc1C(=O)O
+,,,,,,,0.0,,,,,,,,,,CID658544,CCOC(=O)CC1=C(C(=O)OCC)C(c2cc(OC)c(OC)cc2OC)C(C#N)=C(N)O1
+,,,,,,,,0.0,,,,,,,0.0,,CID772156,O=S(=O)(c1ccc(Cl)cc1Br)N1CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID5309427,COc1ccc(CCNC(=O)CC2Oc3ccc(Cl)cc3NC2=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID5337303,N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccc(Cl)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID645037,Cc1cccc(Cn2c(NCCO)nc3c2c(=O)n(C)c(=O)n3C)c1
+,,,,,0.0,,,,,,,,,,,,CID2878862,COc1ccc(C2C=C(Nc3ccccc3)C(=O)N2c2ccccc2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID1246425,Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cs1
+,,,0.0,,0.0,0.0,,,,0.0,,,,,,,CID3240341,O=C(NC1CCCCC1)C(c1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID4876558,Cc1ccc2nc(SC(C)C(=O)N3CCCCC3)[nH]c2c1
+,,,,,0.0,,,,,,,,,,,,CID6237023,CCOc1ccc(C(=O)/C=C/c2cn(CN3CCN(C)CC3)c3ccccc23)cc1
+,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,CID1101821,Cc1ccccc1N1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O
+0.0,0.0,,,,,,,,,,,,,0.0,,,CID666029,COc1ccc(CNc2nc3nc(C)c(Cl)c(=O)n3[nH]2)cc1OC
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID650157,CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
+,,,,,,,0.0,,0.0,,,,,,,,CID658493,CC(C)(C)c1cc(CNC2CS(=O)(=O)CC2O)cc(C(C)(C)C)c1O
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID2970772,COC(=O)c1cc(OC)c(OC)cc1NC(=O)C1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID3188414,COc1cccc(C(C(=O)NC2CCCCC2)N(CCN2CCOCC2)C(=O)C2COc3ccccc3O2)c1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID738819,O=C(O)c1cc(-c2ccc(Cl)cc2)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID867319,CC(=O)N(C)C1=C(Cl)C(=O)c2ccccc2C1=O
+,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,CID1137123,CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)O)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID879229,Cc1ccc(CN2CCN(/N=C/c3ccc(C)s3)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID977250,c1ccc(Cn2ccnc2-c2ccco2)cc1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID935025,CC1(C)CN=C(Nc2nc3ccccc3s2)S1
+,,,0.0,,0.0,,0.0,,,,,,,,,0.0,CID3241497,CCC(C)NC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
+,,,,,,,,,,,0.0,,,,,,CID3181032,CCCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(C)on1
+,,,,,0.0,,,,,,,,,,,,CID551366,O=C1c2ccc(-c3nc4ccccc4o3)cc2C(=O)N1CC1CCCO1
+,0.0,,,,,,0.0,,,,,,,,,,CID4103757,O=C(CCc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
+0.0,,,,,,0.0,,0.0,,,,,0.0,,,,CID671015,COc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1OC
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID1429145,O=C(CSc1nc(=O)c2ccccc2[nH]1)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID828855,O=C(CSc1ccccn1)Nc1nc2ccccc2s1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID2160265,O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
+0.0,,,0.0,,,0.0,,,,0.0,,,0.0,,0.0,,CID864192,COc1ccccc1-n1nnnc1SCc1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,,CID648163,COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1cccc(C)c1C
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID2190497,CCCN/C(N)=C(\C(=O)OCC)C(=O)c1ccc(OC)cc1
+0.0,,,,,0.0,,,,,0.0,,0.0,,,,,CID666317,COc1cc(-c2noc(-c3ccco3)n2)cc(OC)c1OC
+,,,,0.0,,,,,,,,,,,,,CID3244034,Cc1nn(C(C)(C)C)c(OC(=O)c2ccc3c(c2)OCO3)c1S(=O)(=O)c1ccccc1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID2963033,Cn1c2ccccc2c2nnc(SCc3ccc4nonc4c3)nc21
+,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID2999605,CC(Sc1nnnn1C)C(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3000063,O=S(=O)(c1ccc(Oc2ccc(-c3nnco3)cc2)nc1)N1CCC(Cc2ccccc2)CC1
+0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,,CID652799,CCOc1ccc(-c2nnn(CC(=O)Nc3cc(OC)ccc3OC)n2)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID2856914,O=C1CCCC2=C1C(c1ccccc1)C1C(=O)c3ccccc3C1=N2
+,,,,,,,,,,,0.0,,,,,,CID758271,CCn1c(-c2cccnc2)n[nH]c1=S
+,,,,,,,,,,,,,0.0,,,,CID6105182,CNC(=O)/C(C#N)=C/c1c(F)cccc1Cl
+,,,,,,,,,,,,,0.0,,,0.0,CID797030,CCN(CC)S(=O)(=O)c1cc(C(=O)OC)ccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID2846085,OCCN(Cc1ccccc1)CC1CC=CCC1
+0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,,CID662625,Cn1nnc(NC(=O)C(c2ccccc2)c2ccccc2)n1
+,,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID3241729,Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN(C)C)n2)cc1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID3235678,COC(=O)c1c(-c2ccco2)csc1NC(=O)C1CC=CCC1C(=O)O
+,,0.0,,,,0.0,,,,,,,,,,,CID5307319,CCOc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID820020,O=C(NN=C1CCCC1)c1n[nH]c2c1CCC2
+,,,,,0.0,,,,,,,,,,,,CID4120346,Cc1ccc(NC(=O)c2ccc(N/N=C/c3cccc(O)c3)c([N+](=O)[O-])c2)cc1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID772963,O=C(CCN1CCCCC1)Nc1ccc(Br)cc1
+,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,CID2423140,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)NC2=NCCS2)cc1
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID667095,CC(C)CC(=O)/N=C1\SC2CS(=O)(=O)CC2N1CCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3180839,Cc1ccc(N(C(=O)Cn2nnc(-c3ccc(F)cc3)n2)C(CC(C)C)C(=O)NCC2CCCO2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID652826,Cc1cc(C)c2c(=O)[nH]n(C(C)C)c2n1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID776896,Cc1cccc(NS(=O)(=O)c2ccccc2)n1
+,,,,,,,,,0.0,,,,,,,,CID2089022,O=C(NCc1ccc2c(c1)OCO2)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID3488512,C=CCCC1(C)C(=O)N(c2ccccc2)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID714833,COc1ccc(C(=O)n2nc(C)c(Br)c2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID705767,CC(C)=C1SC(N2CCN(c3ccc(C)cc3)CC2)=NC1=O
+,,,,,0.0,,,,,,,,,,,,CID1252680,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CCCC2)cc1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID892597,CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID16190143,CC(C)N1CCN(Cc2ccc3c(c2)OCCO3)CC1CCO
+,,,,,0.0,,,,,,,,,,,,CID1299711,CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc4c(c3)Cc3ccccc3-4)n2C)cc1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID1301658,O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2235838,COc1ccc(Cl)cc1S(=O)(=O)N1CCCC1=O
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID115936,CC(C)Oc1ccc(C(=O)CCN2CCCCC2)cc1
+0.0,,,,,,,,,,,0.0,,,,,,CID662204,COc1ccc(-c2oc3ncn4nc(Cc5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID662792,Cc1[nH]nc2c1C(c1ccccn1)N(c1ccc(Br)cc1)C2=O
+,0.0,,,,,,,,0.0,,,,,,,,CID666064,Cc1cc(C)nc(N(C#N)CC(=O)N2CCC(C(N)=O)CC2)n1
+,,,,,0.0,,,,,,,,,,,,CID11958664,C=CCNC(=O)c1onc(CSc2ccccc2CC)c1C(=O)O
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID3239341,CCOC(=O)N1CCC(NC(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID5494763,NC(=S)n1[nH]c(-c2ccc([N+](=O)[O-])cc2)c(NN=C2C=CC(=O)C=C2)c1=O
+,,,,,,,,,,0.0,,,0.0,,,,CID2908678,CCCCn1c(NC(=O)C2CCCCC2)nc2ccccc21
+,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID3237646,CCOc1ccc(OCC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
+,,,,,,,,,,,,,,0.0,,,CID15945434,CC(C)C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])C(=O)OCC(N)=O
+,,,,,0.0,0.0,0.0,,,0.0,,,,,,,CID2936788,CCCCOC(=O)C1Cc2ccccc2C(=O)O1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID670450,COC(=O)c1sccc1NC(=O)c1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,,CID5310070,CCOC(=O)CSc1ccc2nnc(-c3cccnc3)n2n1
+,,,,,,0.0,,,,,,,,,,,CID5188007,CN(C(=O)c1ccncc1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2166281,Cc1ccc(NC(=O)C(=O)Nc2ccc(C)cn2)nc1
+,,,,,0.0,,,,,,,,,,,,CID2889322,CCOc1cc(OCC)cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1
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+,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,CID2377913,Cc1noc(C)c1COC(=O)c1cc(=O)[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID851361,CCNS(=O)(=O)c1ccc(OC)c(C(=O)NC2CCCCC2)c1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID662685,CCC(=O)c1c(O)n(C2CCCCCC2)c(=O)[nH]c1=O
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID659061,C/C(NCCN(C)C)=C(/C#N)C(N)=O
+,,,,,0.0,,,,,,,,,,,,CID779261,COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID877332,Cc1cc(OCC(=O)Nc2ccncc2)ccc1Br
+,,,,,,,,,,,0.0,,,,,,CID3239971,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC(C)O1
+,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID2235691,O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,0.0,,,,0.0,CID391239,CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID1257512,CCOc1ccc2nc(N3CCOCC3)nc(C)c2c1
+,,,,,,,,,,0.0,,,,,,,CID2964643,CCCCC1CCC(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID1316580,CCn1ncc(Br)c1C(=O)Nc1ccc(C(=O)OC(C)C)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID663191,COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12
+,,,,,0.0,,0.0,,,,,,,,,,CID665726,CC1CN(C2CCCCC2)c2nc3c(c(=O)n(C)c(=O)n3C)n2C1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID645990,COCCNC(=O)C1CCCN(c2ncccn2)C1
+,,,0.0,,0.0,,,,,,,,,,,,CID2227556,O=C1C2=C(SCCS2)C(=O)N1CCCO
+,,,,,,,,,0.0,,,,,,,,CID15674,Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1929027,CC(C)Nc1nc(Cl)nc(NCCOc2ccccc2)n1
+,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID654083,COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1
+,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID2863812,COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(O)cc1
+,,,,,,,,,,,0.0,,,,,,CID5163693,Cc1ccccc1CS(=O)(=O)c1cnc2ccccc2n1
+,,,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,CID5390064,CCCC1=C(C(=O)OCC)C(c2ccc(N(C)C)cc2)N2NC=NC2=N1
+,,,,0.0,,,,,,,,,,,,,CID3240039,O=C(NCCCN1CCCC1=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
+,,,,,,,,,,,,,0.0,,,,CID16191128,OCCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1
+0.0,,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID805466,Cn1c(O)c(C(=O)NC2CCCCCCC2)c(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID778521,Cc1cc(NN)nc(NS(=O)(=O)c2ccccc2Cl)n1
+,,,0.0,,,,,,,,,,0.0,0.0,,,CID648298,O=C1N(CN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2
+,,,,,,,,0.0,,,,,,,,,CID1450163,Cc1cc(C)c2nc(SCC(=O)N3CC(=O)Nc4ccccc43)c(C#N)cc2c1
+,,,,0.0,,,,,,,,0.0,,,,,CID2972885,CCOC(=O)Cc1csc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)n1
+,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID2200375,COC(=O)c1ccc(CSc2nnc(-c3ccncc3)o2)o1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID3239300,CCOC(=O)N1CCC(NC(=O)c2cccn3c(=O)c4cc(Br)ccc4nc23)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID1246634,CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)c(C(=O)OCC)c1C
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,CID1428603,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)s1
+,,,,,,0.0,,,,,,,,,,,CID2095591,COc1ccc(OCCOC(=O)c2cccs2)cc1
+0.0,,,,,,,,,,,,,,,,,CID2969879,O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1cccc(C(F)(F)F)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID656042,O=C(NC1CCCCC1)C(c1ccncc1)N(CC1CCCO1)C(=O)C(F)(F)F
+,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,CID753419,COC(=O)c1ccc(Oc2nc(NC(C)C)nc(SC)n2)cc1
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID4620191,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID2869792,Cc1cn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)n1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID2947587,O=C(Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1)C1COc2ccccc2O1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID659278,COc1ccc(CN2C(=O)CC(=O)NC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1475390,O=c1cc(CSc2ccc(Cl)cc2)[nH]c(-c2ccncc2)n1
+,,,,,,,,,,,,,0.0,,,,CID869011,CCOC(=O)c1c(NC(=O)C2CC2)sc(C)c1CC
+,,,,,,,,,,,,,0.0,0.0,,,CID2391381,Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1
+,,,,,,,0.0,,,,,,,,,,CID5307743,CC(CCc1ccccc1)NC(=O)c1nnc(Cc2ccc(F)cc2)o1
+0.0,,,,0.0,,,0.0,,,,,,0.0,,0.0,,CID1262254,COc1ccc(OC)c(S(=O)(=O)N2CCN(c3c(C)cccc3C)CC2)c1
+,,,,,,,0.0,,,,,0.0,,,,,CID887923,CCOC(=O)NCCc1ccc(OC)cc1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID5308434,CNC(=O)CN1C(=O)CSc2ncccc21
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID795395,COc1ccc(CC(=O)Nc2cc(C)ccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3813977,CN1C(=S)SC(N(O)C=C2C=CC(=O)C=C2)C1(C)C
+,,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID5389466,CCOc1ccc(C2C=C(c3ccccc3)N=C3N=CNN32)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID952244,Cc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2881652,Cc1ccc(S(=O)(=O)N2CCN(C3CC4CCC3C4)CC2)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID2110391,O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCCO2
+,,,0.0,,0.0,,,,,,,,,,,,CID660299,O=C(O)C1CC=CCC1C(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
+,,,,0.0,,,,0.0,,,,,,,,,CID763275,CCc1cc2c(SCC(=O)c3cccs3)ncnc2s1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID651404,COc1cccc(C(=O)NCC2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID567986,COc1cc(/C=N/NC(=O)CCC(=O)NC2CCCCC2)ccc1C
+,,,,,,,,,,,0.0,,,,,,CID781019,Fc1cccc(F)c1CSc1nc2ccccc2[nH]1
+,,0.0,,,,,,,,,,,,,,,CID4414893,Cc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID656297,Cn1c(-c2ccc(Cl)cc2)cnc1N
+,0.0,,,,0.0,,,,,0.0,,,,,,,CID2997761,CC1CN(S(=O)(=O)c2ccc(-c3nc4ccccc4s3)cc2)CC(C)O1
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID559377,CCN(CC)CCOc1c(Br)ccc2c1sc1nc3n(c(=O)c12)CCC3
+,,,,,0.0,,,,,,,,,,,,CID5157485,COC(=O)c1sc2nc(-c3ccccc3)c3c(c2c1N)CCCC3
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID664102,O=C(c1ccccc1F)N(Cc1ccccc1)C1CCS(=O)(=O)C1
+,,0.0,,,0.0,0.0,,,,,0.0,,,,,,CID3237616,CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID3244625,Cc1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID5665606,N#C/C(C(=O)CN1CCN(c2ccccc2F)CC1)=C1\NC(c2ccccc2)=CS1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID660560,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2166331,CCCOC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID650014,CN1C(=O)SC(Nc2ccc(F)cc2)C1=O
+,,,,,,,0.0,,,,,,,,,,CID3245696,CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1C
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID2964283,CCC(Sc1nc(=O)cc(N)[nH]1)C(=O)NC(C(=O)OC)c1ccccc1
+,,,,,,,,0.0,0.0,,,,,,,,CID650258,O=C(NCC1CCCO1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID659131,Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCC1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID57491,O=C1Nc2ccc(Br)cc2C1(O)Cc1ccccn1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2108763,O=c1c2ccccc2nnn1CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1
+,0.0,0.0,,,,,,,,,,,,,,,CID647090,CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID1094291,COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
+,0.0,0.0,,,,,,,0.0,,,0.0,,,,,CID5389243,Cc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN2CCOCC2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID2615796,CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(C)cc1
+0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,CID709561,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccccc2)CC1
+,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID665668,CC(C)C(=O)Nc1nnc(Cc2ccccc2)s1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID740876,O=C(Nc1ccc2c(c1)OCO2)c1cccc(F)c1
+,0.0,,0.0,0.0,,,,0.0,,,,,,,,,CID3240959,CCn1c(=O)cc(OCC(=O)Nc2cccnc2)c2ccccc21
+0.0,,,,,,,,,,0.0,,0.0,,,0.0,,CID2972990,c1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID2765713,CCOC(=O)c1sc2nccc(N(C)C)c2c1/N=C/N(C)C
+0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID1281732,O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,,,,,,0.0,,,,,,,,,CID3242844,O=C(Nc1cccnc1)c1noc2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID7106793,COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O
+,,,,0.0,,,,,,,,,,,,,CID3235695,Cc1sc(NC(=O)c2ccco2)c(C(c2ccncc2)N2CCOCC2)c1C
+,,,,,,,,,,,,,,0.0,,,CID828537,Nc1nc(-c2ccccc2)nn1C(=O)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID796493,C(=N/C12CN3CN(CN(C3)C1)C2)\c1cccs1
+,,,0.0,,,,0.0,0.0,,,,,,0.0,,,CID709871,Cn1c(=O)c2cn3ncccc3c2n(C)c1=O
+,,,,,,,,,0.0,,,,,,,,CID972310,COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1
+,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,0.0,,CID1288465,Cc1cccc(N(CC(=O)Nc2ccc(CC#N)cc2)S(C)(=O)=O)c1
+,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,CID654556,Cc1ccc(S(=O)(=O)CC(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1583795,Cc1cc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c2c3c(c(=O)oc2c1)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID2222461,Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCc3ccccc3C2)ccc1C
+,,,,,,,,,,0.0,,0.0,0.0,0.0,,,CID644476,O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2o1
+,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID603786,Cn1nccc1C(=O)c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID3170157,COCCn1c(SCC#N)nnc1-c1ccc(OC)cc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID2088873,Cc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID2882875,O=C1CCCC2=C1C1c3ccccc3C(=O)N1c1ccc(C(=O)c3ccccc3)cc1N2
+,,,,,0.0,,,,,,,0.0,,,,,CID5310588,COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(CC(C)C)nc21
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID654902,CC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2O
+,,,0.0,,,,,,,,,,,,,0.0,CID2172306,CCCc1cc(=O)nc(SCC(=O)NC(=O)OCC)[nH]1
+,,,,,0.0,,,0.0,,,,,,,,,CID565213,O=C(Oc1cccc2ccccc12)c1ccco1
+,0.0,0.0,,,,,,,,,,,,,,,CID2910387,COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1Cn1nnc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2460107,O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID892826,Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2096395,CCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
+,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID3238991,O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,,,0.0,CID667106,CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC(C)C)cc1)C2=O
+,,,,,,,,,,0.0,0.0,,,,,,CID2423206,COc1ccc(CCNC(=O)COC(=O)c2ccc(Br)o2)cc1
+,,,,0.0,,,,,0.0,,,0.0,,0.0,,,CID1247215,Cc1cc(C(=O)N2CCCCCC2)cs1
+,,0.0,,,,,0.0,,,,,,,,,,CID686110,CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2
+,,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,CID653530,O=C(CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2
+,,,,,,,,0.0,0.0,,,,,,,,CID2982379,Cc1cc(C)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1
+,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,CID2969440,Cc1cccn2cc(CNc3ccccc3)nc12
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,,CID3241358,Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2375036,N#CCCn1cc(/C=N/O)c(-c2ccccc2)n1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID3243622,CCOc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
+,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,CID764313,COC(=O)c1ccc(NC(=O)c2ccco2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID1316619,O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID1643486,O=C(OCCNc1nc(-c2ccccc2)nc2ccccc12)c1ccncc1
+,,,0.0,,,,,,,,,,,,,,CID5310161,C=CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(O)c(OC)c1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,,CID644595,CCOC(=O)CNc1c(-c2ccc(O)cc2)nc2ccccn12
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+,,,,,,,,,,,,,,0.0,,,CID2294137,O=C(CSc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccco2)c1
+0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID2930838,O=C(NCCCN1CCOCC1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
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+,,,,0.0,,,0.0,,,,,,,,,,CID3525907,CCN1CCCC(NC(=O)c2scc3c2CCCC3)C1
+,,,,,,,,,,,,,,0.0,,,CID7125872,CCN(C(=O)CN1C=NS(=O)(=O)c2ccccc21)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2353604,CC(=O)c1cccc(NC(=O)COC(=O)c2cccs2)c1
+,,,,,,,,,,,,,0.0,,,,CID3910366,CCN1CCN(C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2874056,CN(C(=O)C12CC3CC(CC(C3)C1)C2)C1CCS(=O)(=O)C1
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+,,,0.0,,,,,,0.0,,,,,,,,CID3236812,C(=N/C12CN3CN(CN(C3)C1)C2)\c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID4290902,O=C(NCc1ccncc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1
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+,,,,,0.0,,,,,,,,,,,,CID2842931,Clc1ccc(N2N=C(c3cccs3)CC2c2ccco2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID720967,O=C(Nc1cc(=O)c2ccccc2o1)N1CCOCC1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID3243600,Cc1ccccc1NC(=O)Cn1cccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID7033199,CCc1ccc2c(c1)=C(NOC)C(=O)N=2
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID3242912,CCOCCCN(C(=O)Nc1ccc(CC)cc1)C1CCN(C(C)=O)CC1
+,0.0,,,,,0.0,,0.0,,,,,,,,,CID3243266,CCOc1ccc(NC(=O)C(CC)NC(=O)c2ccccc2CO)cc1
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+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID2940863,CC1C(=O)C(c2nc3ccccc3[nH]2)=C(N)N1c1ccccc1
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+,,,,,,,,,,0.0,,,,,,,CID2548257,COc1ccc(-n2cnnc2SCC(=O)N2CCN(c3ccccc3)CC2)cc1
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+,,,,,,,,0.0,,0.0,,,,,,,CID3230447,Cc1ccccc1NC(=O)NC1(C(=O)NCCCN2CCOCC2)CCCCC1
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+,,0.0,,,,,,0.0,,,,,,,0.0,,CID1507415,Clc1ccc(-c2nnc3ccccn23)cc1
+,,,,,,,,,,,,,,0.0,,,CID6668471,CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccc3c(c2)OCO3)C1CCCO
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+,,,,,,,,,,,,,0.0,0.0,,,CID1965285,CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccc(Cl)cc3)cnc12
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+,,,,,0.0,,,,,,,,,,,,CID9550397,CCC(C)C(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1
+0.0,,,,,,,,,,,,,,,0.0,,CID2494887,Cc1cccc(NCC(=O)Nc2cccc(C)c2C)c1C
+,,,,,,,0.0,,,,,0.0,,,,,CID5309868,Cc1nc2ccccc2c2oc(C(=O)NCCCN3CCCC3=O)cc12
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+0.0,0.0,,,,0.0,,,,,,,,,,,,CID2529206,CC(C)(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
+0.0,,,,,,0.0,,0.0,0.0,,,,,,,,CID2571078,Cc1noc(C)c1COC(=O)c1ccccc1NC(=O)Cc1ccccc1
+0.0,0.0,,,,,,,,,,,,,,,,CID684402,Nc1nnnn1/N=C/c1ccccc1C(F)(F)F
+,,0.0,,,,,0.0,,,,,,,,,,CID2109668,O=c1c2ccccc2nnn1CSc1nnc(-c2ccc3c(c2)OCO3)o1
+,,,,,,,,0.0,,,,,,,,,CID3740369,COc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccn3)c(Cl)c2)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID658754,CCCn1c(=O)c2c(nc(Br)n2CCC)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID1487824,Cc1nc(N)nc(Nc2ccc(Cl)cc2)c1Br
+,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID2431540,CCOC(=O)CCCNC(=O)COC(=O)c1cc(C)cc(C)c1
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+,,,,,,,,,,0.0,,,,,,,CID1357831,CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2ccc([N+](=O)[O-])cc2)c1C
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+,0.0,,,,,,,,,,,,,,,,CID5308767,CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(CC)CCS3)CC1
+,0.0,0.0,,,,,,,,,0.0,,,,,0.0,CID3244758,CS(=O)(=O)N1CCCC(C(=O)NCc2ccc(F)cc2Cl)C1
+,,,,,,,,,,,,,0.0,,,,CID1504738,Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NC3CC3)cc2)n1C
+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,,CID659929,O=C(CN1CCSCC1)N1CCc2[nH]c3ccc(Br)cc3c2C1
+,,,,,0.0,,,,,,,,,,,,CID1368836,O=C(Nc1ccccc1)Nc1nnc(SCc2ccc(F)cc2)s1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2214830,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1ncn[nH]1
+,,,,,,,,,,,,,0.0,,,,CID5116729,O=[N+]([O-])c1cccc(/C=N/NC2=NS(=O)(=O)c3ccccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID977153,COc1cc(S(=O)(=O)Nc2c(C)cc(C)cc2C)ccc1Cl
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID651452,CCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21
+,,,,,0.0,0.0,,,,,,,,,,,CID2999175,Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID761318,Cn1cccc1CC(=O)N/N=C/c1ccccc1
+,,0.0,,,,0.0,,,,,,,,,,,CID646475,CCOC(=O)C1=CN(C)C=C(C(=O)OCC)C1c1ccsc1
+,,,,,,,,,0.0,,,,0.0,,,,CID3660113,COCCNC(=O)C1(C)Oc2ccccc2NC1=O
+,,,,,,,,,0.0,,0.0,,,,,,CID3132278,COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccccc2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID2997820,CC(C(=O)OCC(=O)Nc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID224481,O=C(CCl)N(c1ccccc1)c1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID687221,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2cc(C)ccc21
+,,,,,0.0,,,,,,,,,0.0,,,CID1477199,COc1ccc(-c2cc(CNC(=O)CCl)on2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3998916,COc1ccc(-n2cnnc2SCC(=O)NC2CCS(=O)(=O)C2)cc1
+,,,,,,,,,,,0.0,,,,0.0,,CID3246779,CCC(Oc1ccc(C)c(C)c1)C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1378580,Cc1c(N2C(=O)CS/C2=N\N=C\c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID3242499,Cn1c(C(=O)NCc2cccs2)cc2oc3ccccc3c21
+,,,,,,,,,,,,,,0.0,,,CID1248235,CCOc1cc(C(=O)NC)cc(Br)c1OCc1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID660515,CCCCCC(=O)N1CC2(C)CN(C(=O)CCCCC)CC(C)(C1)C2=O
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID5308171,CCCc1cc(C(=O)Nc2ccc(C(C)=O)cc2)no1
+,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,CID736520,S=c1[nH]nc(-c2ccncc2)n1Cc1ccccc1
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID3236335,CN1C(=O)CSc2ccc(NC(=O)NCc3ccco3)cc21
+,,,,,0.0,,,,,,,,,,,,CID2297691,CCCS(=O)(=O)C(=C(Nc1ccc(CC)cc1)Nc1ccc(CC)cc1)S(=O)(=O)CCC
+,,,,,,,,,,,,,0.0,,,,CID839786,CCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21
+0.0,,,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,CID3159101,COc1ccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID846473,CCOC(=O)c1ccccc1NC(=O)CSc1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1477385,Cc1ccc(C(=O)Nc2onc(C)c2C#N)cc1
+,,,,,,,,,0.0,,,,,,,,CID2224612,CCc1c(C)nc(N)nc1N1N=C1SCC#N
+,,,,,,,,,,,,,0.0,0.0,,,CID1455383,O=C(N/N=C1\SCC(=O)N1CCc1ccccc1)c1cccs1
+,0.0,0.0,,,,,,,,,,,,0.0,,0.0,CID3239748,NC(=O)c1cccn1Cc1ccccc1Cl
+,,,,,0.0,,,,,,0.0,,,,,,CID692092,O=C(NC(=S)NCCc1ccccc1)c1ccccc1
+,,,0.0,,,,,,,,,0.0,,,,,CID648539,Cn1c(=O)n(C)c2cc(NS(C)(=O)=O)ccc21
+,,,,0.0,,,,,,0.0,,,,,,,CID3243590,Cc1cc(C)c(C#N)c(SCS(=O)c2ccc(C(C)(C)C)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5120660,O=C(COc1ccccc1)Nc1ccc(Cc2ccncc2)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID1642466,N#CCSCC(=O)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3238048,CCN(CC)c1cc(C)c2cc(NC(=O)CNC(C)=O)ccc2n1
+,,,,,,,,,,0.0,,,,,,,CID699668,COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1
+,,,,,,,,,,,,,,0.0,,,CID826729,CN(C)C(=O)c1ccccc1Sc1ccc(Cl)cc1Cl
+0.0,,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,CID662408,COc1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1OC
+,,,,,,0.0,0.0,,,,,,,,,,CID655879,c1ccc2c(c1)nc1n2C2(N3CCOCC3)CCCC2C1N1CCOCC1
+0.0,,,,,0.0,,,0.0,,,,,,,,0.0,CID3709075,Cc1cccc(-n2ncc3c(N4CC(C)CC(C)C4)ncnc32)c1
+,,,,,,,0.0,,,,,,0.0,,,,CID3244324,CCN(C(=O)CCc1nc(-c2ccccc2F)no1)c1cc(OC)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID1488342,Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2Cl)n1
+0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID658598,Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4
+,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,CID660996,Cc1cc(Nc2ccc3ccccc3c2)n2ncnc2n1
+,,,,,,,,,,,0.0,,,,,,CID2769128,CCOC(=O)c1cc(C#N)c(Oc2ccc(F)cc2)nc1-c1ccccc1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,,,CID644941,Clc1cccc(Nc2c3c(nc4ncnn24)CCC3)c1
+,,,,0.0,,,,,,,,,,,,,CID2891928,COC(=O)c1c(NC(=O)CC2SCC(C(=O)OC)NC2=O)sc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID16195861,Cc1cnc(NC(=O)CCN2C(=O)C3CCCCC3C2=O)s1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1313606,CCn1c(CNC(C)=O)nnc1SCC(=O)c1ccc(Br)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID2833023,CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cccc(O)c2)C(=O)C1
+0.0,0.0,,,,,0.0,,,,,0.0,,,,,,CID653056,O=C(CCc1ccccc1)NCCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1487813,COc1cc(C=O)ccc1OCc1ccc(Cl)nc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1472630,O=C(c1csc(Cc2ccc(Cl)cc2)n1)N1CCCCC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2589442,C=CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O
+,,,,,,,,,,,,,,0.0,0.0,,CID4152247,COc1cccc(C(c2sc3nc(C)nn3c2O)N2CCN(C(=O)c3ccco3)CC2)c1
+,,,,,,0.0,,,,,,,,,,,CID5389171,COc1ccc(C2CC(C(F)(F)F)N3NC=C(C(=O)NCC4CCCO4)C3=N2)cc1OC
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3245009,CCc1ccccc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1
+,,,0.0,,,0.0,0.0,0.0,,,,,,,,,CID664977,Cc1ccc(S(=O)(=O)NCCNC(=O)C2CCCNC2=O)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID953064,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccs1
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID2211650,COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID767168,COc1ccc(C(=O)Cc2ccc(OC)c(OC)c2)cc1
+,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID2998367,CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(O)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID783417,CCOC(=O)c1cn(CC2CC2)c2cc(F)c(F)cc2c1=O
+,,,,0.0,,,,,,,,,,,,,CID2997977,Cc1cc(C(=O)COC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c(C)n1Cc1ccco1
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID413025,c1ccc2nc(N3CCOCC3)c(N3CCOCC3)nc2c1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID650683,CC1CCCN(C(=O)Nc2cccc(NC(=O)N3CCCC(C)C3C)c2)C1C
+,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID3244261,CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2ccco2)o1
+,,,,,0.0,,,,,,,,,,,,CID4662682,O=C(CSCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID4592264,CC1CCCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)C1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID660888,COc1ccc(C(=O)COC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID3238784,Cc1cc(=O)n2nc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)sc2n1
+,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,CID2872734,CC1=C(C(=O)OCCOc2ccccc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID2211616,COc1ccc(C)cc1NC(=O)NC1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID830122,O=c1cc(C(F)(F)F)oc2c1ccc1ccccc12
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID648115,CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
+0.0,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID3242202,COc1ccccc1N1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1
+0.0,,,,0.0,,,0.0,0.0,,,,,,,,,CID3000138,O=C(Cn1cc(C(F)(F)F)ccc1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,0.0,,,0.0,CID700148,Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1
+,,,0.0,0.0,,,,,0.0,,,,,,0.0,,CID2977782,Cc1cccnc1NC(=O)C(C)Oc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID7151666,O=C(CSc1nc2[nH][nH]cc-2c(=O)n1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1490427,CCN(CC)c1cnn(C/C(=N/OC)c2ccc(Cl)cc2)c(=O)c1Br
+,,,,,,,,,,,,,,,,0.0,CID2772034,O=C(O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
+,,,,,,,,,,,,,0.0,,,,CID970818,COc1ccc(NC(=S)Nc2cc(C)cc(C)n2)cc1OC
+,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID653047,O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1079374,O=C(Cc1ccc(Cl)cc1)N/N=C1\CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID637760,O=C(/C=C/c1ccccc1)c1ccccc1
+,,0.0,,,,,,0.0,,,,,,,,,CID5390014,COc1ccc(C2CC(=O)C3=C(C2)N=C2N=CNN2C3c2ccccc2C)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID647362,Cc1ccc(NC(=O)CS(=O)CC(=O)N(CC(=O)NC2CCCC2)c2cc(C)ccc2C)cc1
+,,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID976095,CCCC(=O)Nc1nnc(CC(=O)N2CCCC2)s1
+,,,,,,,,0.0,,,,,,,,,CID2998016,O=C(OC1CCCCC1=O)c1cc(=O)c2ccccc2o1
+,,,,0.0,,,,,,,,,,,0.0,,CID3240719,COC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C
+0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,CID3245968,CC(C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
+,,,0.0,,,,,,,,,,,,,,CID768193,CCN(CC)C(=O)CSc1nc(=O)cc(O)n1CC
+,0.0,,,,,,,,,,,0.0,,,,,CID3245971,CCCC(=O)Nc1cc(-c2cn3cccnc3n2)ccc1OC
+,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID1169238,N#Cc1c(NC(=O)c2nc3ncccn3n2)sc2c1CCCCC2
+,,,,,,,,0.0,,,,,,,,0.0,CID2941817,CC1CCc2nc(NCCO)nc(C(F)(F)F)c2C1
+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID2998489,Cc1cc(C)n2c(SCC(=O)N(C)C3CCS(=O)(=O)C3)nnc2n1
+,,,,,,,,,,,,,,0.0,,,CID2978600,COc1ccccc1C1=NOC(COc2ccc(Cl)c3cccnc23)C1
+,,,,,,,,,,0.0,,,,,,,CID5665973,Cc1oc2c(CN(C)C)c(O)ccc2c(=O)c1-c1cscn1
+,,,,,,,,,,,,,0.0,,,,CID1102807,COc1ccc(C(=O)c2cc(C(C)=O)c(Nc3ccccc3)s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1820304,COC(=O)/C=C/C(=O)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2767976,C/C(=N\OC(=O)NC1CCCCC1)c1sc(-c2ccccc2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID1898567,O=C(N/N=C/C=C\c1ccco1)c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID1508695,COc1cc2c(C(=O)N3CCOCC3)c(CSc3ccccc3)n(C)c2cc1Br
+,,,,,,,0.0,,,,,,,,,,CID660240,C=CCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,,,,0.0,0.0,,,,,,,,CID892391,CCOc1ccc(OCc2ccc(C(=O)Nc3cccnc3)o2)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID664588,CCCOc1cccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)c1
+,,,,0.0,,,0.0,,,,,,,,,,CID2999511,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID819752,COc1cccc(NC(=O)COc2ccc(C)cc2)c1
+0.0,,,,0.0,0.0,,,0.0,,,,,,,,,CID3243608,CCOC(=O)N1CCC(NC(=O)Cn2cccc2C(=O)c2ccccc2)CC1
+0.0,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,CID646603,CCCCn1c(SCC(=O)Nc2cccc(C)n2)nnc1-c1ccco1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID654359,O=C(Nc1nc(-c2ccco2)cs1)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID2854818,CC1=C(C(=O)OCC2CCCO2)C(c2cccc(O)c2)NC(=O)N1
+,,,,,,,,,,,0.0,,0.0,,,,CID1478380,COC(=O)c1cc(C(=O)c2cccc(Cl)c2Cl)cn1C
+,,,,,,,,,,,,,0.0,,,,CID1217025,O=C(NCc1ccco1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
+1.0,,,,,,,,,,0.0,,,,,,,CID647700,O=C(CSc1nnc(Cn2nnc3ccccc32)o1)N(Cc1ccc(F)cc1)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID3241393,O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2cccc(Cl)c2)CC1
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID754185,CC(=O)Nc1ccc(CN2CCCCCCC2)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID3241389,Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID3241558,COc1ccc(NC(=O)CC(NCCc2ccccc2)C(=O)O)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1400629,COc1ccc(Cc2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID1585571,CCCCCSc1nc(=O)cn[nH]1
+,,,,,,,,,,,,,0.0,0.0,,,CID2998610,COc1ccccc1-c1c(C#N)c(SCC(=O)N2CCCC2)nc(C)c1C(N)=O
+,,,,,,0.0,,,,,,,,,,,CID661038,CCCC(CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O
+,0.0,,0.0,,,0.0,,,,,,,,,,0.0,CID2224793,CC1CCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2219912,CCCCCCCc1c(C)[nH]c(N2CCOCC2)nc1=O
+,,,,,,,,,,,,,,,0.0,,CID2251261,OCCNc1nc2ccc(Cl)cc2[nH]1
+,,,,,0.0,,0.0,,,,,,0.0,,,0.0,CID2315558,CCOc1cc(C(=O)NC)cc(OCC)c1OCC
+,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID755291,O=C(Nc1cccc2c1CCCC2)c1ccco1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0,CID3244366,CN1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCC3)C2)CC1
+,,,,,,,,,,0.0,,,,,,,CID5307855,CCOc1ccc(C2CC(c3cccc(Cl)c3)N3NC(N)=NC3=N2)cc1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3239103,O=C(NCCN1CCOCC1)c1cc(-c2ccco2)on1
+,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,CID644543,Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCCN3CCOCC3)cc1-2
+,,,,,,,,,,,,,,,,0.0,CID2975812,O=C(CN1CCCC1=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccccc2)C1=O
+0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,,CID648578,Cc1ccc2nc(-c3ccc(SCC(=O)O)nc3)[nH]c2c1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID647694,CNc1nnc(-c2cccc(N(C)C)c2)s1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID658851,Cc1cc(C)nc(N(C#N)S(=O)(=O)c2ccccc2Cl)n1
+,,,,,,,,,,,,,,,0.0,,CID5307543,Cc1ccccc1NC(=O)c1ocnc1C
+,,,,,,,,,,,0.0,,,,,,CID3157955,Nc1nonc1C(=O)NCCNCc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID1500010,Nc1nnc(N2CCCCC2)s1
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID989262,COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID670832,COc1cc(SC)ccc1C(=O)NCc1ccc(C)cc1
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID310128,COc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
+,,,,0.0,0.0,,,,0.0,,,0.0,,,,,CID650509,Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1-c1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID3275670,CC(C)N(C(=O)CSc1nc2ccccc2n1-c1ccccc1)C(C)C
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID2162384,COC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)cc2)CC1
+,,,,,,0.0,,,,0.0,,0.0,,,0.0,,CID664146,C=CCn1c(-c2cccs2)nc2nc3ccccc3nc21
+,,,,,,,,,0.0,,,,,,,,CID5738574,O=C(C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,,,,,,,CID3240031,COC(=O)c1cc2occc2n1CC(=O)Nc1cc(OC)cc(OC)c1
+,0.0,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,CID715260,CCOc1cc(C#N)c(NC(=O)c2cccnc2)cc1OCC
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID3239374,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccn4)CC3)ccc21
+,,,0.0,,0.0,,0.0,,,0.0,,,,,,,CID2998906,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID745362,CCC(=O)Nc1c(C)n[nH]c1C
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID646584,Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID15945503,CC1=C(C(=O)N2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O
+,,,,,,,,,,,0.0,0.0,,,,,CID489554,COc1ccc(NC2=c3ccccc3=NC2=O)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID2601709,Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)no1
+0.0,0.0,,,,,,,,,,0.0,,,0.0,,,CID3241527,CC(=O)N1CCC(N(C(=O)Nc2ccc(C)c(C)c2)C2CCCC2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID3242118,Cc1nn(C(C)C(=O)O)c(=O)c2c1sc1ccccc12
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID936609,Cn1c(NCc2ccccc2Cl)nc2ccccc21
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID645873,COC(=O)CCCCC1SCC(NC(=O)OC)C1NC(=O)OC
+,,,,,,,,,,,,,0.0,0.0,,,CID2448376,O=S(=O)(Nc1ccncc1Cl)c1ccc2ccccc2c1
+,,,,,,,,,,,,,,,,0.0,CID1301784,Cc1c(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c(=O)n(-c2ccccc2)n1C
+,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,CID2949965,CC(Nc1nc(N2CCCC2)nc2ccccc12)c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID3244977,CCOC(=O)CSc1nnc(-c2nnc(SCC(=O)OCC)n2CC)n1CC
+,,,,,,,,,,,,,0.0,0.0,,,CID893603,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1
+,0.0,,,,,,,,,,,,,,,,CID645775,Cc1cccc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,,CID651652,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccnc1
+,0.0,,0.0,,,,,,,,,,,,,,CID663979,CC(C)(C)C(=O)C(Oc1cccc2nonc12)n1cncn1
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID715151,Cn1c(NCc2cc(Br)ccc2O)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID560765,NC(=O)Cc1nc(-c2ccc(Br)cc2)cs1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID3244805,O=C1Nc2ccccc2OC1CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID2851766,CCC(Oc1ccccc1)C(=O)Nc1ccccc1OC
+,,,,,,,,,,1.0,,,,,,,CID1960172,Cc1ccc(-c2n[nH]c(=S)n2/N=C/C=C/c2ccccc2[N+](=O)[O-])cc1
+,,,,,,,,,,,,,,,0.0,,CID2975111,O=C(NCCOc1nc(N2CCCCC2)nc(N2CCOCC2)n1)Nc1ccccc1
+,,,,,,,,0.0,,1.0,,,,,,,CID2448632,Cc1cc2oc(=O)cc(COC(=O)c3n[nH]c4ccccc34)c2cc1C
+,,,,,,,,,,0.0,,,,,,,CID887345,COC(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1C
+,,,,,,,,,,,,,,,0.0,,CID1310480,COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID2014045,COc1cc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc(OC)c1OC
+,,,,,,0.0,,,,,,,,,,0.0,CID3237088,CCn1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(=O)c2ccc(C)nc21
+,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,CID666588,COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)ccc1O
+,,,,,,,,,,,,,0.0,,,,CID3571234,CCn1c(SCc2cccc(OC)c2)nnc1C(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3214223,CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nc2cccnc21
+0.0,,,,,,,,,,,,,,,,,CID651382,Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c1C
+,,,,,,,,,,,,,0.0,,,,CID2831779,CCCC(C)C1(CC)C(=O)N=C(Nc2ccc(OC)cc2)NC1=O
+,,,,,0.0,,,,,,,,,,,,CID5901566,N#C/C(C(=O)c1ccco1)=C1\Nc2ccccc2S1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID100641,Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1
+,,,,,0.0,,,,,,,,,,,,CID663391,Fc1ccccc1CSc1ncnc2c1oc1ccccc12
+,,,,,,,,0.0,,,0.0,,,,,,CID2527499,COc1cc(-c2nnc(COC(=O)c3cc(C)nc4ccc(C)cc34)o2)cc(OC)c1OC
+,,,,,,,,,0.0,0.0,,,,,,,CID757678,CCOC(=O)c1cnc(SCc2cccc(C)c2)nc1N
+,,,,,,,,0.0,0.0,,,,,,,,CID2962049,OC(COc1ccc2ccccc2c1)Cn1cncn1
+,,,,,,,0.0,0.0,,,,,,0.0,,,CID701004,CN(C)C(=O)c1nc(C#N)c(N(C)C)o1
+,,,0.0,,,,,,,,,,,,,,CID655095,c1ccc(CCNc2c3c(nc4ncnn24)CCC3)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID5665649,COC(=O)c1cc(-c2c(C)oc3cc(O)ccc3c2=O)c(C)o1
+,,,,,,,,,,,,,0.0,,,,CID2425838,CN1CCC(N(C)C(=O)c2cc(=O)c3ccccc3o2)CC1
+,,,0.0,,,,,,,,,,,,,,CID2939340,C/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1C
+,,,,,,,,,,,,,0.0,,,,CID2263373,O=C(O)CCC(=O)Nc1ccc(Cc2ccc(NC(=O)CCC(=O)O)c(O)c2)cc1O
+0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,,CID977052,Cn1cccc1-c1nc2ccc(NC(=O)c3ccco3)cc2[nH]1
+,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,CID662132,CCCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1
+,,,,,,,,,,,0.0,0.0,,0.0,,0.0,CID722503,O=c1c2c(-c3ccccc3)csc2nc2n1CCC2
+,,,,,,,,,,,,,,0.0,,,CID874288,Cc1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)no1
+,,,,,,,,,,,,,,0.0,,,CID729242,Cc1cc(C)cc(N2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)c1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID2122157,Cn1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2954452,Cc1coc(C)c1C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
+0.0,,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID3000008,O=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1
+,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,,CID784670,N#Cc1cc2ccc(N3CCOCC3)cc2cc1C#N
+,,,,,,,,,,,,,,0.0,,,CID16196257,Cc1ccc(SC(C)C(=O)NC(N)=O)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID827719,CC12CN(Cc3ccccc3)CC(C)(CN(Cc3ccccc3)C1)C2=O
+,,,,,,,0.0,,,,,,,,,,CID5308130,COCCNC(=O)Cn1cc2c(n1)CCCCC2
+,,,,,,,,,0.0,,,,,,,,CID660931,CC1(C)CC(=O)C(=CNC2=CC(=O)CC(C)(C)C2)C(=O)C1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID662615,CC1=Nn2c(nnc2-c2ccccn2)SC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3166560,CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(OC)cc1)N=2
+,,,,,0.0,,,,,,,,,,,,CID788080,Cc1cc(C)c2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1
+,,,,,,,,,0.0,,,,,,0.0,,CID2982814,O=C1CC(N2CCC(O)(c3ccc(Cl)cc3)CC2)C(=O)N1
+,,,,,,,0.0,,,,,,0.0,,,,CID3875712,CC(C)N1C(=O)C2C(c3ccccc3O)NC(C)(C(=O)O)C2C1=O
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID655923,CCC(C)(C)n1nnnc1CN1CCC(c2nc3ccc(C)cc3[nH]2)CC1
+,,,,,0.0,,,,,,,,,,,,CID887620,CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1
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+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2959486,CCCC1Cc2nc(N3CCCCC3)c(C#N)cc2CO1
+,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID1253329,Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)CC2)c1
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+,,,,,,,,,,,,,0.0,,,,CID910667,Cn1cnc([N+](=O)[O-])c1Oc1ccc2ccccc2c1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID660754,CC1CN(C2CCN(S(=O)(=O)c3ccccc3)CC2)CC(C)O1
+,,,,,,,,0.0,,,,,0.0,,,,CID1144351,CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID2410779,Cc1cc(C)n2nc(C(=O)OCCOc3ccc(F)cc3)nc2n1
+,,,,,0.0,,,,,,,,,,,,CID5416427,CCc1ccc2c(c1)=C(NNc1nc(-c3ccccc3)cs1)C(=O)N=2
+,,,,,,,,,,,,,0.0,,,,CID647206,NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)CC1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID1244384,Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(F)cc1
+,,,,,,,,,0.0,,,,0.0,,,0.0,CID699459,O=S(=O)(c1ccc(Cl)cc1)c1ccccn1
+,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,CID973111,CCOc1cc(-c2conc2N)cc(OCC)c1OCC
+,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID645137,Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)no1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID2232417,CCN(CC)CCCCCOc1ccccc1OC
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID704659,CCOC(=O)CSc1nc(N)nc(C)c1Br
+,0.0,,,,,,,0.0,,0.0,,,,,,,CID655265,COc1ccc(OCc2nnc(SCC(=O)O)n2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348981,COc1ccccc1OCCOc1ccc(/C=N/N2C(=O)CSC2=S)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID757051,C=CCn1c(O)cc(=O)nc1SCC(=O)N1CCCCC1
+,0.0,,,,,0.0,,,,,0.0,,0.0,,,,CID741280,N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID2787935,O=c1c(Cl)c(N/N=C/c2ccc(Br)cc2)cnn1-c1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2237443,CCOC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nc1N
+,,,,,,,,,,0.0,,,0.0,,,,CID2508391,C=CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1
+,,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,,CID648551,CCn1nnnc1SCC(=O)Nc1cccc(NC(C)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID797571,Cc1ccccc1C(=O)NC(=S)NCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID6151020,COc1ccccc1NC(=O)/C=C/C(N)=O
+,,,,,,,,,0.0,,,,,,,,CID9550670,O=C(Cn1ncc2c3ccccc3n(Cc3ccc(F)cc3)c2c1=O)N1CCN(c2ncccn2)CC1
+,,,,,,,0.0,,,,,,,,,,CID3238494,CCC(CC)C(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+,,,,,,0.0,,,0.0,,,,,,,,CID5308890,CC(C)Cc1cc(C(=O)Nc2ccc(F)cc2F)no1
+,,,,,,0.0,,,,,,0.0,,0.0,0.0,,CID2304284,CCOC(=O)c1cnc(C(C)(C)C)[nH]c1=O
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID3239480,COc1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)c1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID894430,CCc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
+0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,0.0,CID651971,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)n1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID1261140,Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCOCC3)cc2)c1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID2948424,CCOc1cc(C(C#N)N2CCCCC2)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID758937,COc1ccccc1NC(=O)CCS(=O)(=O)c1ccccc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,,CID3236634,CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
+,,,0.0,,,0.0,,,,,,,,,,,CID2959809,CC(C)Oc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID2084761,O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2c(c1)OCCO2
+,,,,,,0.0,,,,,,,,,,,CID2950491,CCOC(=O)c1ccc(N2C(=O)CC(N3CCC(O)(c4ccc(Cl)cc4)CC3)C2=O)cc1
+,0.0,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,CID646422,CC(=O)NC(Cc1cc(C)ccc1C)C(=O)N1CCN(C(=O)Nc2ccc(C(C)=O)cc2)CC1
+,0.0,,,,,,,0.0,0.0,,,,,,,,CID647380,COC(=O)c1ccccc1NC(=O)Nc1cccnc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2472117,C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2ccccc2c1=O
+,,,,,,,,,,,,,,,,0.0,CID664333,CCOC(=O)NC1(C(F)(F)F)NC(=O)N(Cc2ccco2)C1=O
+,,,,,,,,,,0.0,,,,,0.0,,CID666009,Cc1nc(NC2=NCN(CCCN3CCOCC3)CN2)nc2c(C)cccc12
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID2056113,CCOC(=O)C1CCN(Cc2ccc(O)c(OC)c2)CC1
+,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,CID646640,CC(C)c1c(O)nc(SCc2ccccc2)[nH]c1=O
+,0.0,,,,,,,0.0,,,0.0,,,,,,CID2129448,Cc1cc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)no1
+,,,,,,,,,,,,,,0.0,,,CID5335678,COc1cc(S(=O)(=O)Nc2ccccc2)ccc1N/C=C1\C(=O)N(c2ccc(C)cc2)N=C1C
+,,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,CID2383047,O=C(CSc1cccc[n+]1[O-])c1cc2ccccc2o1
+,,,,,,,,,,,,,0.0,,,,CID2236599,Cc1ccc(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(Cl)c1
+,,,,,,0.0,,,,,,,,,,,CID2837494,Cc1ccc(S(=O)(=O)NC2OC(=O)C(Cl)=C2Cl)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID649037,O=C(CN1C(=O)CSC1=O)Nc1ccc2c(c1)OCCO2
+0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,,,0.0,CID661617,Cc1cc(C)c2c(N)c(C(=O)c3ccccc3)oc2n1
+,,,,,0.0,,,,,,,,,,,,CID4875068,CC1CN(C(=O)COc2ncnc3ccccc23)CC(C)O1
+,,,,,,,,,,,,,,0.0,,,CID3516620,COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID1252412,Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID2272453,Cc1ccc(OCCOCCOc2ccccc2/C=C2/SC(=S)NC2=O)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2169350,COc1ccc(S(=O)(=O)NCc2cccs2)cc1
+,,,,,,,,,,0.0,,,,,,,CID828360,Cc1ccc(NC2=NC(=S)N(CC#N)C23CCCCC3)cc1
+0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID655040,O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)NCc1ccco1
+,,,,,,,0.0,,,,,,,,,,CID5389335,COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2)cc1OC
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID2772616,CC(Sc1nc2ccc(Br)cc2[nH]1)C(=O)O
+,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID3547857,CCN(C(=O)c1cnc2scc(C)n2c1=O)c1ccccc1C
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID665220,CCc1ccccc1NC(=O)CSc1nnc(C(CCSC)NC(=O)OC(C)(C)C)o1
+,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,CID2086771,CC(=O)Nc1ccc(SCC(=O)N(CCC#N)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2789390,CCOC(=O)c1sc(N/N=C/c2ccccc2)nc1C
+0.0,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID3238765,CCn1cc(C(=O)N2CCN(C3CCCCC3)CC2)c2cc(OC)c(OC)cc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID335345,CC1(C)CC(=O)C(C(c2cccc([N+](=O)[O-])c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
+,,0.0,0.0,,,,,,,,,,,0.0,,,CID2998588,CC1CN(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)CC(C)O1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID651584,O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)C1CCC1
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID653158,Cc1ccc(NC(=O)C(C)Sc2nnc(-c3cccnc3)o2)cc1
+,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,0.0,,,CID745853,CN(C)C(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID75766,CCCCC(=O)c1ccc(O)cc1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,CID653943,COc1ccc(Cl)cc1NC(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1
+,,,,,,,,,,,,,,0.0,,,CID2382030,O=C(NC(=S)Nc1cccc(NC(=S)NC(=O)c2ccco2)n1)c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID4898159,CN(C)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccnc1
+,,0.0,,,0.0,,,,,,,,,,,,CID5310711,CC1Oc2ccccc2C=C1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CCCN(C)C
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID2595529,COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID2853849,CCOc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1
+,,,,,,,0.0,,,,,,,,0.0,,CID2841257,Cc1cccc(OCCCn2ccnc2)c1
+,,,,,,,,,,,0.0,,,,,,CID1049256,CC(C)(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OC(=O)c2ccccc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5307707,CCOc1ccccc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1
+,0.0,,0.0,,,,,,0.0,,,,0.0,,,,CID976955,O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCOCC1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2998145,Cc1ccc(C2C(C#N)=C(N)N3C(=O)CSC3=C2C(=O)Nc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID1243155,CCC(NC(=O)NCc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID5061509,Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID797565,S=c1oc(-c2ccncc2)nn1CCc1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID5340266,Cc1ccc(C(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550513,CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,0.0,,,CID2101015,Cc1nc(N2CCCCC2)sc1C(=O)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID3365003,CCOC(=O)CN1C(=O)C(Sc2nnc(-c3ccccc3OC)s2)CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID921913,Cc1ccn2c(c1)nc(=S)n2C(=O)c1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2876651,Fc1ccccc1-c1nc(-c2ccccc2)no1
+,0.0,0.0,,,,,,,,,,,,,,,CID3245978,O=C(CNS(=O)(=O)c1cccc2nonc12)NCc1ccc(F)cc1
+,,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID5309361,O=C(c1cc2ccccn2n1)N1CCN(c2ccccn2)CC1
+,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,CID731079,CC(C)Oc1ccc(NC(=O)Oc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2238995,Cc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID718459,CCN(CC)C(=O)c1scc2c1OCCO2
+,,,0.0,,,,,,,,,,,,,,CID3242916,CC(C)OC(=O)CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
+0.0,,,,,0.0,0.0,0.0,,,,,,,,,0.0,CID3244754,O=C(C1CC1)N1CCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1474625,CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccccc1
+,,,,,,,,0.0,,,,0.0,,,,,CID3238384,COc1ccc(S(=O)(=O)CCC(=O)O)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID5769668,CC1=CC2=c3cccc(C)c3=NC(c3ccc4c(c3)OCO4)N2N1
+,,,,,,,,,,,,,0.0,0.0,,,CID1830144,Cc1cc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)no1
+,,,,,,,,,,,,,,0.0,,,CID5396993,Cc1cc(C)n(NC=C2C=CC(=O)C=C2)c(=O)c1C#N
+,0.0,,,,,0.0,,,,,,,,,,,CID3655573,O=C(NCCN1CCOCC1)c1ccc2c(c1)ncn2C1CCCC1
+,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID660789,CCCCc1c(O)n(-c2ccccc2)c(SCCN(C)C)nc1=O
+,,,,,0.0,,,0.0,,,,,,,,,CID2892101,Cn1c(O)c(C(c2ccncc2)c2c(O)n(C)c(=S)n(C)c2=O)c(=O)n(C)c1=S
+,,,,,,,,,,,,,,0.0,,,CID895682,CCN1CCN(C(=S)Nc2cccc(Cl)c2)CC1
+,,,,,,,0.0,0.0,,,,,,,,,CID3237701,COCCn1cc(C(=O)NCCCN2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O
+,,,,,0.0,,,,,,,,,0.0,,,CID2877858,CC1=NN(C(=O)Cc2ccccc2)C(O)(c2cccnc2)C1
+,,,,,,,,,,,,,,0.0,,,CID848636,Cc1sc2ncnc(Sc3nc4ccccc4s3)c2c1C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID659470,CCN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1124444,CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
+,,,,,,,,,,,0.0,,,,,,CID2211422,CSc1ccccc1-n1nnnc1SCC(=O)Nc1cc(C)ccc1C
+,,,0.0,0.0,,,,,,,,,,,,,CID652588,COc1ccc(NC(=O)c2ccco2)cc1N
+,,,,,,,,,0.0,,,,,,,,CID6710488,COc1cccc(C(=O)NC(C)C(c2cccs2)N2CCOCC2)c1
+,,,,,,,0.0,,,,,,,,,,CID5309800,CC(=O)N1CCc2cc(C(=O)CN3CCN(C(=O)c4ccco4)CC3)ccc21
+,,,,,,,,0.0,,,,,,,,,CID3171518,CCOC(=O)CC(=O)CSc1nc2cc(C)ccc2cc1C
+0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,CID774885,CCCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
+0.0,,,0.0,,,,,,,,,,,,,,CID3606561,Cc1ccc2c(c1)NCC(C(=O)NCc1ccccc1)O2
+,,,,0.0,,,,,0.0,,,,,,,,CID3248905,CC1CCN(C(=O)CSc2nnc(Cc3cc(=O)[nH]c(=O)[nH]3)n2-c2ccc(Cl)cc2)CC1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID666996,O=c1c2[nH]c3ccccc3c2ncn1CCCn1ccnc1
+,,,,,,0.0,,,,,0.0,,,,,,CID3236199,COc1ccc(CNC(=O)CCc2nc(-c3ccccc3F)no2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID1004913,COc1ccc(/C=N/NC(=O)c2ccc(Cl)cc2Cl)cc1COC(C)=O
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID3776906,CCOc1ccc(NC(=O)C(C)SC(N)=O)cc1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID3245292,CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccc(-c4ccc(Cl)cc4)o2)N3)C1
+,,,,,,,,,0.0,0.0,0.0,,,0.0,,,CID2984810,Cc1cc(C)nc(N2N=C(C(C)(C)C)CC2=O)n1
+,,,,,,,0.0,,,,,,,,0.0,,CID661399,CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,0.0,,,,0.0,,,,0.0,0.0,,,CID719007,Cc1cc(OCc2nc(-c3cccs3)no2)cc(C)c1Cl
+,,,0.0,,,0.0,,,,,,,,,,,CID5307637,COc1cc(NC(=O)CN2CC(c3ccccc3)CC2=O)cc(OC)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID1079149,CC(=O)Nc1nc2ccc(C(=O)NC3CCCCC3)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID5348464,O=C(C(C(=O)c1ccc([N+](=O)[O-])cc1)=C1Nc2ccccc2N1)c1ccccc1
+0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,,,CID646087,C=CCNC(=O)C1CCN(c2nc(C)cc(-c3ccccc3)n2)CC1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2964820,Cc1ccc(OC(C)c2nnc(N)s2)cc1Cl
+,,,,,,,,,,,0.0,,0.0,,,,CID694416,COC(=O)c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1
+0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,CID652522,COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)o2)cc1
+,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,CID2093655,CN(C)S(=O)(=O)c1ccc(C(=O)Oc2cc(=O)[nH]c3ccccc23)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,CID660065,Nc1nc(N2CCOCC2)nc2ccccc12
+,,,,,,0.0,0.0,0.0,,0.0,,,,,,,CID846883,CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)OCCO2
+0.0,,0.0,,,,,,,0.0,0.0,,,,,,,CID3240009,CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccccc12
+0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2604003,COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
+,,0.0,,,,,,,,,,,,,,,CID3239150,O=C(CCCCCn1c(=O)[nH]c2ccccc2c1=O)NCCCN1CCN(c2ccccc2F)CC1
+,,,,,,,,,0.0,,0.0,,,,,0.0,CID654038,O=C(NCc1ccco1)C(c1ccccc1)N(Cc1cccnc1)C(=O)Cn1nnc2ccccc21
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+,0.0,0.0,,0.0,,,,,,,,,,,,,CID659931,Nc1nnc(SCCOc2ccccc2)s1
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+,,,,,,,,,,0.0,,,,0.0,0.0,0.0,CID1189450,Brc1ccc2ncnc(Nc3ccc(N4CCOCC4)cc3)c2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2956825,O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)NC1CCCCC1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID1382525,CC(=O)Oc1cc2c(C(=O)NCc3ccncc3)c(C)oc2c2ccccc12
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+0.0,,,,,,,,,,0.0,,,,,,,CID795328,Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2997510,Cc1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID693206,Cc1cc(C)n(-c2ccc(C(=O)O)cc2)n1
+,,,,,,0.0,,,,0.0,,,,,,,CID664324,Nc1nnnn1N=C1CCCCC1
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+,0.0,,,,,,,,0.0,,,0.0,,,,0.0,CID3242337,O=C(CCn1c(=O)sc2ccccc21)Nc1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID973131,O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1
+0.0,,,,,0.0,,,,,,,,,,,,CID5307367,CCOC(=O)C1CCN(c2c(N3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
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+,,,,,,,,,,,,,0.0,,,,CID2094271,CCOc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1
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+,,,,,0.0,,,,,0.0,,,,,,,CID1314971,CC(=O)Nc1ccc(-c2nnc(SCc3c(C)cc(C)cc3C)n2C)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID665848,COC(=O)c1ccccc1NC(=O)c1sc(=S)n(C)c1N
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+,,,0.0,,,,,,,,,,,,,,CID661327,Cc1nn(CC(=O)NCC2CCCO2)c(=O)c2ccccc12
+0.0,,0.0,,,,,,,,,,,,,,,CID2998841,COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nnc2C(C)N2CCCCC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID658650,O=C1N(CCCN2C(=O)C3(OCCO3)c3ccccc32)c2ccccc2C12OCCO2
+,,,,,,,,,,,,,0.0,,,,CID2532658,Cc1csc(SCC(=O)NCCc2ccc(Cl)cc2)n1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID651472,O=C(NCc1ccco1)c1cc2sccc2n1Cc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2330197,Cc1ccc2nc(NC(=O)c3ccc(Cl)s3)sc2c1
+,,,,,,,,,0.0,,,,,,,,CID750059,NC(=O)c1sc2nccc(Nc3ccccc3)c2c1N
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID665689,O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCOCC3)ncc21
+,,,,,0.0,,,,,,,,,,,,CID5332432,Cc1nc2c(c3c1[nH]c1ccccc13)C(=O)CC(C)(C)C2
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+0.0,,,,,,,,,,0.0,,,,,,0.0,CID1100907,CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCC2
+,,,,,,,,,,,,0.0,0.0,,0.0,,CID2161731,O=C(NCc1ccc2c(c1)OCO2)c1ccccn1
+,,,,,,,,,,,,0.0,,,,,CID654833,O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)Nc1ccccc1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID2393913,COc1ccc(CCN(C)C(=O)CN2C(=O)c3ccccc3S2(=O)=O)cc1OC
+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID3243583,COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1OC
+,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID2974470,COc1ccc(F)cc1S(=O)(=O)NC(Cc1ccccc1)C(N)=O
+,,,,,0.0,,,,,,,,,,,,CID2886914,COc1ccc(NC(=O)c2sc3cc(C)ccc3c2Cl)c([N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2271056,CCNC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
+0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID1085599,O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2394180,COc1ccc(-c2csc(NC(=O)COC(=O)Cc3ccc(Cl)cc3Cl)n2)cc1
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID3238692,O=C1CC(c2ccco2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1
+,0.0,,0.0,,,,,,0.0,,,,0.0,,,0.0,CID616549,CCOC(=O)c1c(C)n(O)c2ccc(Cl)cc2c1=O
+,,,0.0,0.0,,,,,,,,,,,,,CID654920,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3nccs3)n2Cc2ccco2)n1
+,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID2380799,O=C(Nc1cnc2sc3c(n2c1=O)CCCC3)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1045803,O=C(NCc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID786375,Cc1csc(NC(=O)c2cccs2)n1
+,,,,,0.0,,,,,,,,,0.0,,,CID1069194,O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)CC(=O)N1CCc1ccccc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID7299199,CSc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)cc1
+,0.0,,,,0.0,,,,,,,,,,,,CID5309826,CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3sccc3C)oc2C)CC1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2923450,CCOc1ccccc1OCCOCCN1CC(C)OC(C)C1
+,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,,,CID656226,Cn1c(=O)c2c(ncn2CC(N)=O)n(C)c1=O
+,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID666942,Cc1ccc(C(C)C)cc1C(=O)CC1(O)C(=O)N(C)c2ccccc21
+,,,0.0,,,,,,,,,,,,,0.0,CID665775,Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)s1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID824731,CCOc1ccc(=O)n(-c2ccccc2)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID650870,CC(C)n1c(N2CCN(C(=O)N3CCCCC3)CC2)nc2ccccc21
+,,,,,,,,,,0.0,,,,,0.0,,CID3246784,COc1ccc(OCC(O)CNC(=O)c2ccc(Br)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2168077,O=C(Cn1nnc2ccccc21)c1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID2879154,COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
+,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,,CID3403514,COc1nc(NCC(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
+,0.0,,,,,,,,,,,,,,,,CID3243664,CSc1nc(C)cc(OCC(=O)N2CCOCC2)n1
+,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,CID2928967,CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1474877,COc1cc2ncnc(NCc3ccccc3)c2cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2940952,CC(=O)NC(C)C12CC3CC(CC(C(=O)O)(C3)C1)C2
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID1519540,N#Cc1cc(Oc2ccc3ccccc3c2)c(-n2nnc3ccccc32)cc1C#N
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID2948077,O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)OCCO2
+,,0.0,,,,0.0,0.0,,,,,,,0.0,,,CID974239,COc1ccc(C(=O)NCc2c(CC(C)C)oc(C)c2C(=O)O)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID750201,COc1cc(=O)[nH]c(=O)n1C(=O)Cc1ccccc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID1243326,C=CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21
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+,,,,,0.0,,0.0,,,,,,,,0.0,,CID654871,CCOc1ccc(-c2cn(CCC#N)cn2)cc1
+,0.0,,,,,,,,,,,,,,0.0,1.0,CID3245239,O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccn2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2477280,COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)cc(OC)c1OC
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+0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID664861,COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,,,,,,,,,,CID875922,CCc1ccc(OCC(=O)Nc2ccc3ccccc3c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2289740,Cc1cc(Br)ccc1NC(=O)CCCOc1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID5820835,COc1ccc(CNC(=O)/C=C/c2ccc(OCCCF)cc2)cc1OC
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+,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0,CID654109,CCN(CC)C(=O)c1csc(Nc2ccc(C)cc2)n1
+,,,,0.0,,,,0.0,,,,,,,,,CID3242944,O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1311978,CCN(CC)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
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+,0.0,,1.0,,,0.0,,0.0,,,,,,,0.0,,CID2091316,COC(=O)c1ccccc1S(=O)(=O)Nc1ccc2cn[nH]c2c1
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+,,,,,0.0,,,,,,,,,0.0,,0.0,CID5389334,COc1cccc(C2=CC(c3ccccc3)N3NN=NC3=N2)c1
+,,,,,,,,,,,,,0.0,,,,CID720898,CCn1c(SCC(=O)O)nc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,,,CID657898,CCOc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1OC
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+,,,,,,,,,0.0,,,,,,,,CID3244513,CCN(CC)c1ccc(C2CC(=O)Nc3cc(OC)c(OC)cc32)cc1
+0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID2574276,O=C(CSc1nc(-c2ccccc2)cs1)NC(=O)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID4877687,CC(=O)Nc1ccc(OCC(=O)NC(C)c2ccc(F)cc2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID2947265,COc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5309624,CN(CCC#N)C(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID669169,CC(=O)Nc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID844261,O=C(Nc1ccc2c(c1)OCCO2)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID697773,O=S(=O)(c1ccc(F)c(Cl)c1)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID9551066,O=C(NCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
+,,,0.0,,,,,,,0.0,,,,,,,CID661841,CCCn1c(SCC(N)=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
+,,,,,,,,,,0.0,,0.0,,,,,CID5389130,CC/C(Nc1ccc(N)cc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O
+,,,,,,,,,,,,,,0.0,,,CID973393,CCOC(=O)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1
+,,,,,,,,,,,,0.0,,,,,CID660677,O=S(CCc1ccncc1)Cc1ccccc1
+,,,0.0,,,,0.0,,,,,,,,,,CID870239,COc1ccc(S(=O)(=O)NCc2ccncc2)cc1OC
+,,,,,,,,,,,,,,,0.0,,CID3245506,CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCOCC2)CC1C
+,,,,,,,,,,,,0.0,,0.0,,,CID700199,Cc1ccn(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID1480804,COc1ccc(-c2cc(CNC(C)=O)on2)cc1
+0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID3235662,COC(=O)c1ccccc1NC(=O)c1cc(-c2cccc(OC)c2)on1
+,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,CID2894285,O=C(NCc1ccco1)C12CC3CC(C1)CC(C(=O)NCc1ccco1)(C3)C2
+,,,,,0.0,,,0.0,,,,,,,,,CID2430490,Cc1ccc(CNC(=O)COC(=O)c2cnccn2)cc1
+0.0,,,0.0,,,,,,,,,0.0,,,0.0,,CID5122224,O=c1cccc2n1CC1CC2CN(C(c2cccc(F)c2)c2sc3ncnn3c2O)C1
+,,,,,,,,,,,,,0.0,,,,CID2319892,O=C(CCSc1nnc2ccccn12)Nc1ccc2c(c1)OCO2
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID660013,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccco1
+,,,0.0,,,,,0.0,,,,,0.0,,,0.0,CID720474,Cc1nnc(NC(=O)c2sc3ccccc3c2Cl)s1
+,,,,,,,,,,,,,,,,0.0,CID2947641,CC12CCC(C(N)=O)(c3nc4ccccc4nc31)C2(C)C
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID3241824,COc1ccccc1-n1c(=S)sc2c(=O)n(Cc3ccco3)c(SC)nc21
+,,,,,,,,0.0,,,,,,,,,CID892813,CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID892318,CC(=O)c1ccccc1OC(=O)CCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID6018530,C=CCN1C(=O)/C(=N\NC(=S)Nc2ccc(OC)c(Cl)c2)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID1796009,CCCNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,,,0.0,,0.0,,,,,,,,,CID1253334,CCOC(=O)c1c(C)n(C)c2cc(OCCN(CC)CC)ccc12
+,,,,,,,,,0.0,,,,,,,,CID2055748,CSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
+,,0.0,0.0,,,,,,,,,,,,,,CID655911,CCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
+,,,,0.0,,,0.0,,,,,,0.0,,0.0,0.0,CID1289258,CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(OCc2ccccc2)cc1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID646960,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccccn1
+,,,,,,0.0,,,,,,0.0,,,,,CID5309904,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2nccs2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1481106,Cc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2084687,Cc1ccc(OCCn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID2998055,O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCOc1ccc(F)cc1
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID646395,CCSC1=C(C#N)C2(CCCCC2)C(C#N)=C(N)N1
+,,,,,,,,0.0,,,,,,,,,CID662415,Clc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID1973227,COC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)Nc1ccc(OC)cc1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,CID972766,Cc1c(C(=O)Nc2ccccc2)oc2c1C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,0.0,,,,CID519684,Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C)cc2)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID2218748,CCn1c(SCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)nnc1-c1cnccn1
+,,,,,,,,,,,,,,,,0.0,CID973962,CN(C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
+0.0,,,,,,,,,,,,,,,,,CID1552290,C=CCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1640864,COc1ccc(/C=C2\SC(=S)N(CC(=O)NCCO)C2=O)cc1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID5310657,CCCSc1nnc2c(n1)OC(c1cccn1C)N(C(C)=O)c1ccccc1-2
+,,,,,,,,,,,,,,0.0,,,CID3722818,C/C(=N\NC(=O)CCCOc1ccc(Cl)cc1Cl)c1ccc(C)o1
+,,,,,0.0,,,,,,,,,,,,CID3420968,CNc1c([N+](=O)[O-])cnn1-c1ccccc1Cl
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID665525,Brc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1
+0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,CID654560,CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cccc(C)c1
+,,,,,,0.0,,,,,,,,,,,CID5308703,CCOC(=O)C1CCCN(c2c(NCCc3ccc(S(N)(=O)=O)cc3)c(=O)c2=O)C1
+,0.0,,0.0,,,,,,,,,,,0.0,,,CID1264425,COc1ccccc1CNc1nc2nc(C)cc(=O)n2[nH]1
+,,,0.0,,,,,,,,0.0,,,,,,CID648732,CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2cccc(C(C)=O)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2944450,CC1CCN(C(=O)C(C)c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1617365,C(#CCN1CCOCC1)COCCOC(c1ccccc1)c1ccccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1586875,COc1ccccc1C(=O)Nc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1
+,,,0.0,,,,,,,,,,,,,,CID657454,Cc1nc(NCCN)c(C#N)c2c1COC(C)(C)C2
+,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,,CID1363858,COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1
+0.0,,,0.0,,,,0.0,,,,,,,,0.0,,CID647320,CCOC(=O)C1=C(CN2CCN(c3ccc(F)cc3)CC2)NC(=O)NC1c1cccs1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,CID644580,CC(=O)Nc1ccc(S(=O)(=O)N2C3CCCC2CC(NC(=O)C2CCCCC2)C3)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID651739,CSCCC(Nc1nc2ccccc2s1)C(=O)O
+,,,,,,,0.0,,,,,,,,,,CID2984081,CC(=O)c1c(C)nn(C(C)CC(=O)O)c1C
+,,0.0,,,0.0,,,,,,,,,,,,CID5742561,O=C1C=CC=C/C1=C1/C=C(c2ccc3c(c2)OCCO3)NN1
+,,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID2416480,Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12
+,,,,,,,,,,,,,0.0,,,,CID3189892,CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3504403,Cc1cccc(C(C)Nc2ccc([N+](=O)[O-])cn2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2352765,O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1
+,,,,,,,,,,,,,,,,0.0,CID606787,Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)no1
+,,,,,,,,,,,,,0.0,,,,CID668955,O=S(=O)(NCc1ccccn1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1132517,CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2872957,COC(=O)CN(C(=S)Nc1ccc(F)cc1)C1CC(=O)N(c2ccccc2)C1=O
+0.0,,,,0.0,,,0.0,,,,,,,0.0,0.0,0.0,CID3242258,COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1504304,O=C(CCCn1cc([N+](=O)[O-])cn1)NC1CCCCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID3156718,CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(C)CC2)cc1
+0.0,,0.0,,,,,,,,,,,,,1.0,0.0,CID654851,COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC
+,,,,,,,,,,,0.0,,,0.0,,,CID1124190,COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Br
+,0.0,,,,,,1.0,,,,,0.0,0.0,,,,CID658871,COc1ccc(OC)c(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID5309977,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
+,,,0.0,,,,,0.0,,,,0.0,,,0.0,,CID752122,COc1ccc2c(c1OC)C(=O)N(c1cccc(C)c1)C2
+0.0,,,,,,0.0,,,0.0,,,,,0.0,,,CID663986,CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1
+,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,CID3238558,COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2
+,,,,,,,,,,,0.0,,,,,,CID4097071,COc1cccc(C2CN(c3ccc(F)cc3F)N=C2c2cccs2)c1OC
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID787672,CC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID660257,COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID1362882,COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)c(OC)c1
+,,,,,,,,,,,,,,1.0,,,CID570059,O=C(c1ccccc1)n1nnc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID5345711,CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2C1c1ccc(OCC)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID663546,COCc1[nH]nc2c1C1(C(=O)Nc3ccc(F)cc31)C(C#N)=C(N)O2
+,,,,,,,,,0.0,,,,,,,,CID654593,c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
+,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0,CID3235601,Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1
+,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,CID649594,Cn1nccc1C(=O)Nc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID16191477,OCCC1CN(Cc2cccc(OC3CCCC3)c2)CCN1Cc1ccsc1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID657174,Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1
+0.0,,,0.0,0.0,0.0,,,,,,,,,,,,CID3243022,O=C(NCc1ccccn1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
+,,0.0,,,,,,,,,,,,,,,CID657590,Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
+,,,,,,,0.0,,,,0.0,,,,,,CID5389835,CCCCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2
+,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID2095677,CCOC(=O)c1cc(=O)n2nc(-c3ccc(C)cc3)nc2s1
+,,,,,,,,,,,,,0.0,,,,CID735890,O=S(=O)(c1ccccc1)N1CCC2(CC1)OCCO2
+,,1.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,CID2524461,CC(=O)Nc1ccccc1OCC(=O)c1cc(C)n(Cc2cccs2)c1C
+,,,,,,,,,,0.0,,,,,,,CID2336056,O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N(CCO)Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2227671,CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1nc(C)cs1
+,,,,,,,,,0.0,,,,0.0,,,,CID893064,O=CN1CCN(C(=O)c2ccccc2Cl)CC1
+,,,,,,,,0.0,,,,,,,,,CID893108,O=C(NC1CCCCC1)c1ccc(COCC(F)(F)F)o1
+,,,,0.0,,,,,,0.0,,,,,,,CID3245722,CCOCCOC(=O)C1=C(C)Nc2ccc(C)cc2S1
+,0.0,,,,,,0.0,,,,,,,,,,CID5681971,O=C1/C(=C\NCCCN2CCOCC2)c2ccccc2C(=O)N1Cc1ccccc1
+,,,,,,,,,,0.0,,0.0,,,,,CID3244303,COc1ccc(C(=O)OCC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID838627,Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccccc1
+0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,CID3239441,COc1ccc(-n2c(=O)cc(N3CCN(c4ccccc4OC)CC3)[nH]c2=O)cc1
+,,,,,,,,,,,,,,,0.0,,CID5307741,CCc1ccc(C2CC(c3ccccc3)N3NC=NC3=N2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16187596,CCOC(=O)C1(CC2CC2)CCN(C(=O)c2cccnc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID3253072,CC(NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1
+0.0,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID660149,C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccccc12
+,,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID1082946,CCOC(=O)COc1ccc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cc1
+,,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID1244178,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1c(C)noc1C
+,,,,,,,,,0.0,,0.0,,,,,,CID940787,CCc1ccc(CCC(=O)Nc2ccc(OC)cc2)o1
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID265924,O=S1(=O)CC2(N3CCOCC3)CCCCC21
+,,,,,,,,,,,,,0.0,,,,CID16194417,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID956352,CSc1ccccc1NC(=O)COc1ccc(Cl)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID2141449,O=C(CSc1ncnc2ccccc12)NCCCO
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID645727,CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccoc1C
+,0.0,,,,,,0.0,,,,,,,0.0,,,CID657609,Cc1cc2nncn2c(Cc2ccccc2)n1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,,CID3241572,COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID652714,O=C(NCCC1=CCCCC1)C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,0.0,,,CID2400647,O=C(/C=C/c1nc2ccccc2s1)N1CCCCCC1
+,0.0,,,,,,,,,,,,,,,,CID656158,Cn1c(-c2ccc3nc(N)sc3c2)nc2cc(N)ccc21
+,,,,,,,,0.0,,,,,,,,,CID9551240,O=C(c1ccco1)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)CC1
+,,,,,0.0,,,,,,,,,,,0.0,CID646678,CCC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2nc3ccccc3s2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4083996,CCCN(CCC)C1Sc2ccc(C(=O)OC)cc2NC1=O
+,,,,,,,,,,,,,,0.0,,,CID7197550,COc1ccc(S(=O)(=O)N/C(N)=N/CCc2ccccc2OC)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2840234,Cc1cc(C)nc(N/N=C/c2ccco2)n1
+,,,,,,,,,,0.0,,,,,,,CID2926960,CC(=O)Nc1ccc(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)cc1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,CID649270,CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1-c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID3236921,COc1cccc(N2CCN(C(=O)C3C4C=CC5(CN(Cc6ccccc6Cl)C(=O)C35)O4)CC2)c1
+0.0,0.0,,,0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,CID2999721,O=C(NCCc1ccco1)c1nn(Cc2ccccc2)c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,0.0,,,CID653229,N#Cc1cccc(-n2nnnc2-c2ccc3c(c2)OCO3)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID11958818,Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(F)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1894552,Cc1cc(C)nc(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2)n1
+,,,,,,,,0.0,,,,,,,,,CID967669,CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID864275,CCn1nnnc1SCC(=O)c1ccc(C)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2415160,CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1
+0.0,0.0,,,,,,,,0.0,,,,,0.0,,,CID652995,O=C(COc1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID664776,Cc1cc(C)nc(SCNC(=O)c2ccc(F)cc2)n1
+,,,,,,,,,,,,0.0,0.0,0.0,,,CID2881154,CCn1ccnc1C(O)c1cccc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2215058,C=CCOc1ccc(CNn2cn[nH]c2=S)cc1OC
+,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,CID2091319,COC(=O)c1ccccc1S(=O)(=O)Nc1ccc(OC)nc1
+,,,,,,,,0.0,,,,,,,,,CID2873955,CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1coc2ccccc2c1=O
+,,,,,,,0.0,,,,,,0.0,,,,CID654527,CC(C)OC(=O)Cn1c(=O)oc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID3151749,COC(=O)c1c(NC(=O)C(C)C)sc2c1C(C(=O)OC)CC2
+,,,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2243457,CCN1CCN(C(=O)Cc2coc3cc(C)cc(C)c23)CC1
+,,,,,,,,,,,,0.0,,,,,CID4112244,CC(NC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID5399133,Cc1ccc(Oc2ccccc2/C=C/C(=O)O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID868642,CCOc1ccc(S(=O)(=O)Nc2nccs2)cc1
+,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,CID976727,COn1c(=O)c(-c2ccc(Cl)cc2)[n+]([O-])c2ccccc21
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID934575,CCS(=O)(=O)c1nc2ccccc2n1CC(=O)N1CCCCC1
+,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID654191,CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,,CID5397400,COC1=CC(=O)/C(=C2\NC(N)=NC=C2c2csc(C)n2)C=C1
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID660998,COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1
+,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID763501,Nn1c(SCc2ccccc2)nnc1-c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2945880,COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccc(C)cc3)c2)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2415301,O=C(O)c1cn(-c2ccccc2)nc1C(=O)c1ccccc1
+0.0,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,CID2918378,CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCn2ccnc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1259901,COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1C
+0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID663112,CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1
+,,,,0.0,0.0,,0.0,,0.0,,,,,,,,CID3240424,CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,0.0,,,CID801781,O=C(O)CCC(=O)NNc1nc2ccccc2nc1-c1ccccc1
+,,,,,0.0,,,0.0,,0.0,,,0.0,,,,CID2120688,C=CCn1c(Cc2cccs2)nnc1SCC(=O)NCc1ccco1
+,0.0,,,,,,0.0,,,,,,,,,,CID2912605,CCOc1ccc(C(=O)CCNC(Cc2cnc[nH]2)C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID795728,COc1ccc(S(=O)(=O)N/N=C/c2ccc3c(c2)OCO3)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID2109475,CCc1ccc2c(COn3nnc4ccc(S(=O)(=O)N(C)C)cc43)cc(=O)oc2c1
+,,,,,,,,,,,,,,0.0,,,CID1118441,COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2sc(C(=O)Nc3ccccc3)c(C)c2c1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID5223112,O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID3222332,CCC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1csnn1)C1CC1
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+,,,,,,,,,,0.0,,,,,0.0,,CID648094,CCc1nnc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)s1
+,,,,,,,,,,,0.0,,,,,,CID648334,Cc1ccc(NC(=O)C2CCCN(c3ncccn3)C2)cc1F
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID663003,Cc1c(OC(=O)CNC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3
+,,,,,,,,,,,,,,0.0,,,CID761647,Cc1ccc(/C=N/NC(=O)c2ccccn2)s1
+,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,CID749059,Cc1ccc(-c2cn3c(=S)[nH]nc3s2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1815792,CCCCNC(=O)CN(c1cccc(F)c1)S(C)(=O)=O
+,,,,,0.0,,0.0,,,,,,,,,,CID667414,COc1cc2c(cc1OC)CN(C(=O)CC1CC3CCC1C3)CC2
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,,CID651770,Cn1c(N2CCN(C(=O)NCc3ccccc3)CC2)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID827004,Cc1ccc(C(=O)n2nnc3ccccc32)cc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,,CID3241512,N#CC1=C(N)N(c2ccccc2C#N)C2=C(C(=O)CCC2)C1c1ccsc1
+,,,,,0.0,,,,,,,,,,,,CID2890042,CCc1ccc(N2CC(C(=O)NCc3ccc(C)cc3)CC2=O)cc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID974222,Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCC3)c2)n1
+,,,,,,,,,0.0,,,0.0,,,,,CID1307706,COc1ccc(C2(C(=O)Nc3ccc(C(=O)O)cc3)CCOCC2)cc1
+,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,CID2949152,CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1
+,,,,,,,0.0,,,,,,,,,,CID1085423,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc3c(c2)OCCO3)cc1OC
+0.0,0.0,,,,,,,,,,,,,,,,CID3243499,CCc1cccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID3228291,Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n1
+,,,,,0.0,,,,,,,,,,,,CID4174466,O=C(c1ccc2nc3ccccc3c(=O)n2c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID2846305,COc1ccc(CCC(C)NCCc2ccccc2)cc1
+,,,,0.0,0.0,0.0,,,,,,,,,,,CID3240575,COC(=O)c1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)cc1
+,,,,,0.0,,,,,,,0.0,,,0.0,0.0,CID2962177,O=C(Nc1ccc2c(c1)OCO2)C1CC(c2c(F)cccc2Cl)=NO1
+,,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID2198480,CCCn1c(CCc2ccccc2)nnc1SCC(=O)N1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID3178247,NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
+,,,,,,,,,0.0,,,,,,,,CID4262889,O=c1[nH]c2ccccc2nc1C(Cl)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID843181,Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6223630,C/C(N)=C(/C#N)C(=O)COC(=O)Cc1coc2cc(C)ccc12
+,,,,,,,,,,,0.0,,0.0,,,,CID763240,O=c1oc2ccccc2c(N2CCCC2)c1CN1CCCC1
+,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,CID836483,COc1cccc(C(=O)Nc2cccc(SC)c2)c1
+,0.0,,,,,,,,,,,,,,,,CID3242795,CC(O)CNc1ncnc2nc[nH]c12
+,,,,,0.0,,,,,,,,,,,,CID710957,CC(C)Nc1nc(-c2ccc(Cl)cc2)nc2ccccc12
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,,CID292812,CC(C)c1ccc(NC(=O)NC2CCCCC2)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID992663,CCOC(=O)NCc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID723168,O=C(O)Cc1sc(-c2ccccc2)nc1-c1cccs1
+0.0,,0.0,,,,,,,0.0,,,,,,,,CID653706,O=S(=O)(c1ccccc1Cl)N1CCC(O)(c2ccc3c(c2)OCO3)CC1
+,,,,,,,,0.0,,,,,,,,,CID2530755,CN(CC(=O)OCC(=O)NC(=O)c1cccn1C)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID3918052,Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1CC1CCCO1
+,,,,0.0,,,,,,,,,,,,0.0,CID3240490,O=c1nc(SCc2cccc(Cl)c2)[nH]c2c1CCCC2
+,,,,,,,,,,,0.0,,,,,,CID711403,CNC(=O)c1cc2cc(OC)ccc2n1CCN(C)C
+,,,,,0.0,,,,,,,,,,,,CID1491454,CN(C)c1ccc(/C=N/NC(=O)c2csnn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5309831,CCn1c(=O)c2cc(C(=O)NCCN3CCOCC3)sc2c2ccccc21
+,,,,0.0,,,,,,,,0.0,,,,,CID893856,Cc1ccc(SCCC(=O)N(C)C)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID3243084,O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID649234,Cn1c(=O)c2c(nc(CN3CCOCC3)n2Cc2ccccc2)n(C)c1=O
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID974664,COc1cc(OC)c(-n2c(C)cc(C=O)c2C)cc1Cl
+,,,,,,0.0,,,,,,,,,0.0,,CID2818789,Cc1c(CN2CCCCC2C)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID1132234,CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)ccc2C)nc1C
+,,,,,,,,,0.0,,,,,,,,CID2997516,Cc1cc(C)n(-c2ccc(C(=O)C(C#N)c3nc4ccccc4n3C)cc2)n1
+,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,CID2999307,Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1
+0.0,,,,,,,,,,,,,,,,,CID658497,CC(=O)c1ncnn1CC(=O)c1ccc(Cl)cc1Cl
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID2227723,CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc2c(c1)OCO2
+0.0,,,,,,,,,,,,,,,,,CID1877143,COCCNC(=O)Cn1nc(C(F)(F)F)c(Br)c1C
+,,,,,,,,,0.0,,,,,,,,CID1121328,C=C(Cl)COc1ccc2c(CC)cc(=O)oc2c1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID2998899,Cc1ccccc1C(OCC(O)CN1CCCCC1CCO)c1ccccc1
+,,,0.0,0.0,,,,,,,,,,,,,CID1618319,C=CCn1c(O)cc(=O)nc1SCCCC
+,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID2997999,CCn1c2ccccc2c2nnc(SCc3cc(=O)n4ccsc4n3)nc21
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3242490,COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)cc1
+,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,,CID2058657,COC(=O)c1ccc(CSc2nc3n(-c4ccc(F)cc4)[nH]cc-3c(=O)n2)o1
+,,,,,,,,,,,,,,0.0,,,CID2446949,Cc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)NC(=O)CO4)ccc12
+,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,CID748770,COc1ccc(CCNS(=O)(=O)c2ccccc2)cc1OC
+0.0,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID645664,COc1ccc(CN2CCC(CNC(=O)NC3CCCCC3)CC2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID899202,COc1ccc(C(=O)n2ccc(C)n2)cc1Br
+,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,,CID334856,COc1cc(C)c(C#N)c(OC)n1
+,,,,,,,,,,,,,0.0,,,,CID822456,O=S(=O)(NCCc1ccccc1)c1ccc(Cl)nc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2065714,CCOc1ccc2nc(N3C(=O)/C(=C/c4ccccc4)NC3=S)sc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2571112,Cc1ccc(-n2nc(CC#N)c(C#N)c2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID761600,Cc1ccccc1/C=N/N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,1.0,,,,,,CID1190554,CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(N2CCOCC2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3240681,COCCNC(=O)CSc1nc2ccccc2c(=O)n1CCCC(=O)NCc1ccccc1
+,,,0.0,0.0,,,,,,,,,,,,,CID646737,COc1cc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)cc2c1OCO2
+0.0,0.0,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,CID1307924,Cc1cnc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)s1
+,,,,,,,,0.0,,,,,,,,,CID936087,COc1ccc2c(c1)[nH]c1c(=O)n(CCC3=CCCCC3)cnc12
+,,,,,0.0,,,,,,0.0,,,,,,CID2177751,Cc1ccc(C)c(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1
+,,,,,,,,,,,0.0,,,,,,CID3133605,COn1c(=O)c(=O)n(O)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID3181436,COCCCn1c(SCc2nc(=O)c3ccccc3[nH]2)nc2ccccc2c1=O
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID808336,Cc1ccc(-c2nn3c(=O)c(C)nnc3s2)cc1
+,,0.0,,,,,,,,,,,,,,,CID687959,CCOC(=O)c1ccc(COC(=O)c2nonc2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID16190646,OCC1(Cc2cccc(Cl)c2)CCCN(Cc2sc(N3CCCC3)nc2Cl)C1
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID620461,COc1ccc2c(c1)C(=NO)c1cc(OC)ccc1-2
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID1720775,CCCCOC(=O)Nc1nnc(COc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID733672,O=C(O)c1ccc(Cn2nnc3sc4c(c3c2=O)CCCC4)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID2179616,CCS(=O)(=O)NCCCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID3776856,O=S(=O)(NCc1ccccc1)c1cccc2cccnc12
+,,,,,,,0.0,,,,,,,,,0.0,CID3240101,COc1ccc(N2CCN(C(=O)C3CCC(Cn4c(=S)[nH]c5ccccc5c4=O)CC3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5307963,CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)N2NC=NC2=N1
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID763443,CC(C)C(=O)Nc1cccc(-c2nc3ccccc3o2)c1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,,CID5309158,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NC1CCCCC1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID5307283,Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC3CCCCC3C)c(C)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2534073,O=C(CSc1nc2ccc(Cl)cc2o1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID6506511,O=C(CCC(=O)Nc1ccccc1Cl)NN/C=C1\C=Nc2ccccc21
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID1084697,CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID864438,Cc1ccc2nc(SCC(=O)NCc3ccco3)c(C)cc2c1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1478240,O=C(Nc1ccc(Cl)cc1)N1CCSc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1041330,CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2ccccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2284632,Cc1cc(OCCOc2cccc3cccnc23)c(C)cc1Cl
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID663859,CCOC(=O)c1cnc(-n2cc(C)cn2)nc1NCc1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,,CID2078665,Cc1cc(NC(=O)COC(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)no1
+,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,CID855557,COC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID3243634,CCOC(=O)N1CCN(C(=O)Cn2c(C)cc3ccccc3c2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID1459538,COc1ccc(CCN(Cc2cc3ccc(C)cc3n3nnnc23)C(C)=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1241119,Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID4898467,Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)cc(=O)c2c1
+,,,,,,,,,,,,,,0.0,,,CID3467285,CC(C)N1C(=S)SC(C)(C)C1n1oc(=O)n(-c2cccc(Cl)c2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1868505,COc1ccc(Cc2n[nH]c(=S)n2-c2ccc3c(c2)OCCO3)cc1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID662192,CN1CCN(C(=O)CSc2nc(-c3cccs3)cc(-c3cccs3)c2C#N)CC1
+,,,,,,,,,,,0.0,,,,,,CID1189526,O=C(CS(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])Oc1ccccc1
+,,,0.0,,,,,0.0,,,,,,,,,CID3235777,COc1ccc(C(=O)n2cnc(N)n2)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,CID3240823,Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccccc4)n3n2)no1
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID666691,CCOc1ccc(CN2CCN(c3cc(C)nc4c5c(C)cc(C)nc5nn34)CC2)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID3235648,CCCCOC(=O)CCc1c(C)[nH]c(=O)c(C#N)c1C
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+,,,0.0,,0.0,,,,,,,,,,,,CID5770825,CC1CCCN(C(=O)CSC2=NN/C(=C3/C=Nc4ccccc43)O2)C1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID3238227,COCCCn1c(=S)[nH]c2ncccc2c1=O
+,,,,,,0.0,0.0,,,,,,,,,,CID1376842,COc1cc(OC)c(OC)cc1CN1CCN(c2ccccc2OC)CC1
+,,,,,,0.0,,,,,,,,,,,CID2962204,O=C(NCC1CCCO1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID653302,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(Br)cc3)cc2c1
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+,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,,CID654324,Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1
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+0.0,0.0,,,,,,,,,,,0.0,,,,,CID665500,COc1cccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c12
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+,,,,,,,,,,,,,0.0,,,,CID4587907,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2ccc(OC)cc2)N2CCOCC2)cc1
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+,,0.0,0.0,,,,,,,,,,,,,,CID646967,CC(=O)N1C(=O)N(C)C2C1N(C)C(=O)N2C(C)=O
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+,,,,,,,,,,,0.0,,,,0.0,0.0,CID680765,Brc1cccc(-c2nnc3n2CCC3)c1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID2918375,CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID886264,c1cncc(-c2nc(NCc3ccco3)c3ccccc3n2)c1
+,,,,,,,,,,0.0,,,,,,,CID3158801,COc1cc(C2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)ccc1OC(C)C
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+,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID1252137,CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCC(c4ccccc4)CC3)ccc21
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+,,,,,,,0.0,,,,,,,,,0.0,CID1311116,CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
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+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3245660,Cc1c(C(=O)N2CCOCC2)sc2nc(-c3ccccc3)cn12
+,,,,,,,,,,0.0,0.0,,,,,,CID2921682,O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1
+,,,,,,,,,0.0,,0.0,,,,,,CID768286,CCOc1ccccc1NC(=O)c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID1226263,Cc1nn(C)cc1C(=O)Nc1c(C)nn(Cc2ccccc2Cl)c1C
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3238475,COc1cc(N2C(=O)NC3CC2(C)Oc2ccc(Br)cc23)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2233278,COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)c1
+,,,,,,,,,,,,0.0,,,,,CID666906,Cc1cc2oc(C(=O)N(Cc3ccco3)C3CCS(=O)(=O)C3)cc(=O)c2cc1Cl
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID2928059,CCOc1ccc2nc(SC(CC)C(=O)Nc3cc(C)on3)sc2c1
+,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,,CID719057,N#CN(CC(N)=O)c1nc(N2CCCCC2)nc(N2CCCCC2)n1
+,,,,,,,,,0.0,,,,,,,0.0,CID2160670,NS(=O)(=O)c1ccc(CCNC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)cc1
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+,,,0.0,,,,,,,,,,,,,0.0,CID659697,O/N=C1\CCc2cc(Cl)ccc21
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID991754,COc1ccc(OC)c(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1
+0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID657643,CCC1(CC)C(=O)NC(=O)N=C1Nc1cccc(OC)c1
+,,,0.0,,,0.0,,0.0,,0.0,,,,,,,CID2999770,Cc1cc(NC(=O)COC(=O)c2cc3c(s2)CCC(C)C3)no1
+,,,,,0.0,,,,,,0.0,,,,,,CID2950226,CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID2155909,CCCn1/c(=N/C(=O)c2cccnc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID973281,O=C1c2ccccc2C(=O)N1Cc1nc(-c2ccccc2)no1
+,,,,,,,,,,,,,,0.0,,,CID890157,CN(C)C(=O)Oc1cccc2c(OC(=O)N(C)C)cccc12
+,,,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,CID655168,CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1
+,,,0.0,0.0,,,,,,,,,,0.0,,,CID649746,COc1ccc(CNC(=O)CN(CC2CCCO2)C(=O)CNS(=O)(=O)c2ccc(F)cc2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID7162175,Cc1ccc(-c2ccc(SCC(=O)N3CCN(c4ccccc4)CC3)nn2)cc1
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+,,0.0,,,,,,,,,,,,,,,CID649660,CC(C)OC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
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+,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,CID893490,Cc1nc2cc(NC(=O)Nc3nccs3)ccc2n1C
+,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,,CID651516,CN(C(=O)C1CCCO1)c1nnc(-c2ccccn2)s1
+,,,,,,,,,,,,,,0.0,,,CID970757,Cc1cc(C)nc(NC(=S)Nc2ccc(F)cc2F)c1
+,,,,,,,,0.0,,,,,,,,,CID1129740,CN(Cc1ccccc1)C(=O)Cn1nc(C(F)(F)F)c2c1CCC2
+,,,,,,,,,,0.0,,,,,,,CID3160420,Cn1c(=O)c2c(nc(Sc3ncccn3)n2Cc2ccccc2Cl)n(C)c1=O
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+,,,,,,,,,,,,,0.0,,,,CID2322189,O=C(Nc1ccc(F)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID1358057,COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2ccccc2Cl)cc1
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+,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID2999839,COc1ccc(-c2cc3n(n2)CCc2nc4ccccc4n2-3)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1490262,Cc1ccc(COc2ccc(C(=O)NN)cc2)cc1
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+0.0,,0.0,,,0.0,,,,,,,,,,,0.0,CID2930202,CCC(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1
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+,,,,,,,,,,,,,0.0,,,,CID2347877,CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C(=O)O)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID646261,Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
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+,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,,CID962003,CC(=O)c1cccc(N(CC(=O)N2CCCC2)S(C)(=O)=O)c1
+,,,0.0,,,,,0.0,,,,,,,0.0,,CID658668,CCOc1ccc2c(C)nc(NC3=NC(C)(C)C=C(C)N3)nc2c1
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+,,,,,,,,,,,,,0.0,,,,CID1909653,N#CSCC(=O)N1c2ccccc2CCc2ccccc21
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+0.0,,,,0.0,,,,,,,,,,,,,CID2153241,Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCC(C)CC4)nc2-3)cc1C
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+,,,,0.0,,,,,,0.0,,,,,,,CID3245717,COc1cccc(C(CC(=O)NCc2ccco2)NS(=O)(=O)c2ccc(C)cc2)c1OC
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+,,,,,,,,,,,0.0,,,,,,CID9551062,CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
+0.0,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID652187,CCOC(=O)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2)n1CC
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+,,,,,,,,,,,,0.0,,,,,CID3240496,COc1cc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc(OC)c1OC
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+,,,,,,,,,,,,,,,0.0,,CID654631,Cc1cccc(C)c1NC1=NC(C)(C)N=C(N)N1
+,,,,,,,,0.0,,,,,,,,,CID5906136,N#C/C(=C\c1ccccc1)c1n[nH]c(Cn2cncn2)n1
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+,,,,,,,,,,0.0,0.0,,,,,,CID1093516,Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1
+,,,,0.0,,,,0.0,,,,,,,,,CID1851980,O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nn1cnnc1
+,,,,,,,0.0,,,,0.0,,,,,,CID5739238,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccco1
+,,,0.0,,,,,,,,,,,,,,CID664745,CCN1C(=O)/C(=C\N2CCN(c3cccc(Cl)c3)CC2)SC1=S
+,,,,,,,,,,0.0,,,,,,,CID3616903,Cc1c(C(=O)OCC(C)C)[nH]c2c1C(=O)CC(c1cccs1)C2
+,,,,,,,,,,,,,0.0,,,,CID792173,COc1ccc(/C=N/NC(=O)CN2CCSCC2)c(OC)c1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID891968,CCn1ncc(Br)c1C(=O)Nc1nccs1
+0.0,,,,,,,,,,,,,,,0.0,,CID4063939,Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2n1C
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID3243543,O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1334116,COc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1OC
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+0.0,,,0.0,,0.0,0.0,,,,,,,,,,,CID1528742,Cc1cs/c(=N\c2c(C)n(C)n(-c3ccccc3)c2=O)n1Cc1ccccc1
+,,0.0,,,,,,,,,,0.0,,,,,CID5310528,Cc1ccccc1-n1c(=O)cc(N2CCN(Cc3ccccc3)CC2)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2024877,Cc1ccsc1/C=C1\Oc2cc(OCC(=O)c3ccccc3)ccc2C1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID3149095,CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccco1
+,,,,,,,,,0.0,0.0,,,,,,,CID1081041,CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1
+,0.0,0.0,,,,,,,0.0,,,0.0,,,,,CID3237931,O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1
+,,,,0.0,,,,,,,,,,,,0.0,CID652963,Cc1cccc(OCCn2c(CCCO)nc3ccccc32)c1
+,,,,,,,,,,,,,,,,0.0,CID3240155,CCc1ccc(NC(=O)N(CCN2CCOCC2)C2CCN(C(C)=O)CC2)cc1
+0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0,CID2615575,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccc(C)cc2)c1C
+,,,,,,,,,,,,,0.0,,,,CID2859252,O=C1CC(N2CCSCC2)C(=O)N1c1cccc(Br)c1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID3238027,CCCCN(C)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
+,,,0.0,,,,,,,,,,,,,,CID5069769,CCOCCn1c(CN2CCCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID725635,CC(=O)c1cccc(NC(=O)CCOc2ccccc2)c1
+,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,CID832427,Cc1nc2sc3c(c2c(=O)n1/N=C/c1ccco1)CCCC3
+,,,,,,,,,,,,,,,0.0,,CID5308936,O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID3245010,CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(Cl)cc2)C1
+,,,,,,,,,0.0,,,,,,,,CID871060,CC1(C)N=C(c2ccccn2)C(C)(C)N1O
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3426457,O=C(Nc1nc(-c2nc3ccccc3s2)cs1)C1CC1
+,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID649235,Cc1ccc(OCCCC(=O)Nc2nncs2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID1264360,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2OC)cc1C
+,,,,0.0,,,,,,,,,,,,,CID648468,O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16188123,C/C(=N\NC(=O)CNC(=O)c1ccccn1)c1ccc([N+](=O)[O-])cc1
+0.0,,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID3240382,CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccncc1
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,,CID3245117,CCc1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID1240497,COc1ccc(Cl)cc1NC(=O)N1CCN(CCc2ccccc2)CC1
+,0.0,,,,,,,,,,0.0,,,,,,CID793873,N#C/N=C1\CCCCCN1CC(N)=O
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID663582,Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1cccc(Br)c1
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+,,,,,0.0,,,,,,,,,,,,CID1963940,C=CCNc1sc(C(=O)c2ccccc2)c(N)c1C#N
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+,,0.0,,,,,,,,0.0,,,,0.0,,,CID4453937,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)CC1
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+,,,,,0.0,,,,,,,,,,,,CID4247911,O=C(NC1C(=O)NNC1c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5971290,COc1cccc(/C=C/C(=O)OCC(=O)NCC2CCCO2)c1
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+,0.0,,,,,,,,,0.0,,,0.0,,,,CID790849,CSc1ccc(Cl)c(C(=O)NCc2ccco2)c1
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+,,,,,,,,,,,,,,0.0,,,CID16187326,O=C(Cc1ccsc1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
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+,,,,,,,0.0,,0.0,,0.0,,,,,,CID1210875,CC(=O)c1cccc(NC(=O)CN(c2cccc(F)c2)S(C)(=O)=O)c1
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+,,,,,,,,,0.0,,,,,,,,CID1792467,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)C)cc2)n1
+,0.0,,0.0,,,,,,,,,,,,,,CID2098006,Cc1c(-c2nn(C)c(=O)c3ccccc23)oc2ccc(F)cc2c1=O
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID665810,Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccc(F)cc1
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+,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID655814,O=C1OC2(CCCCC2)OC(=O)C1=CNc1nccs1
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+,0.0,,,,,,,,,,0.0,,,,,,CID657480,N#CCCNC(=O)CCN1CCOCC1
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+,,,,,,,,,,,,,0.0,,,,CID3100043,Cc1cc([N+](=O)[O-])c(C)cc1-c1ccc(/C=N/NC(=O)Cn2nnnc2N)o1
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID3235605,CCn1c(C(C)NC(=O)Cc2ccccc2)nc2ccccc21
+0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,CID2999843,CCC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
+,0.0,,,,,,,,,,,,,0.0,,,CID5310579,O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1
+,,0.0,,,,,,,,,,,,,,,CID654431,CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(Cl)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID800890,Cc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID767927,O=C(CSc1ncn[nH]1)NCc1ccccc1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID2181114,CCN1C(=O)/C(=C/c2cccs2)N(C)C1=S
+,,,,,0.0,,,,,,,,,,,,CID5823347,Cc1ccc(/C=C/C(=O)c2nc3ccccc3[nH]2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2885924,COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3OC)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2368426,Cc1ccc(-n2cc(-c3ccc([N+](=O)[O-])cc3)[nH]c2=S)c(C)c1
+,,,,,,,0.0,,,,,,,,,,CID5310586,COc1ccc(C(c2sc3ncnn3c2O)N2CC(C)OC(C)C2)cc1OC
+,,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID2219850,O=C(CCCCCN1C(=O)CCC1=O)NCc1ccccc1
+0.0,,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,CID1296067,CCOC(=O)c1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID883572,COc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)O
+0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,0.0,,CID780272,CCC(=O)Nc1nc2ccccc2n1Cc1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID3139332,O=C(CCc1ccccc1)NNC(=O)C12CC3CC(CC(C3)C1)C2
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID650261,COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2462921,O=C(O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID2947852,OCCCNC(c1ccccc1)c1ccc(O)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID5310289,Cc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)oc1ccccc12
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID974147,COC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1
+,,,,,,,,,,,0.0,,,,,,CID1048554,CC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21
+,,,,,,,,,,0.0,,,,,,,CID4655733,CCCCn1c(SC(C)C(=O)c2ccc(OC)cc2)nc2cc(S(N)(=O)=O)ccc21
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID659125,C/C(=C(\C#N)C(=O)NCCN1CCOCC1)N(C)C
+,,,,,,,,,,,,,,0.0,,,CID3864051,CCc1ccc(N(C(C)=O)c2nc(CCl)cs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4156932,Cc1cc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCc2ccco2)ccc1F
+0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID704601,CN(C)c1ccc(Nc2nc(-c3cccnc3)cs2)cc1
+0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0,CID3243020,CCOC(=O)C1=C(C)NC(Nc2nccs2)(C(F)(F)F)C1=O
+0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID644933,Cc1ccc(Cn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2133646,CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(C)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID853046,CC(=O)NC(NC(C)=O)c1ccc(N(C)C)cc1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID3858776,CC(=O)c1c(C(C)=O)c(C)n(Cc2ccccc2)c1C
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID658610,CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID653687,O=C1Nc2ccccc2C12OCCCO2
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID571349,Cc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1
+,,,,,,,,,,,,,,,0.0,,CID5413643,CC1=CC(Nc2ccccc2)=N/C(=C2/C=CC=CC2=O)N1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID672297,CC(=O)c1c(C)nc2ccccc2c1N
+,,,,,,,0.0,,,,,,,0.0,,,CID821958,COC(=O)c1onc(C(=O)c2ccccc2)c1C(=O)OC
+,,,,,,,,,,,,,0.0,,,,CID2412324,COC(=O)c1c(S(=O)(=O)NCc2ccccc2)sc(C(=O)O)c1C
+0.0,,,,,,,,,,0.0,,,,,,,CID664461,O=C1COc2ccc(OCc3ccc(F)cc3)cc21
+,,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,CID1299132,CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(OC)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID6398904,COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID648479,O=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1
+0.0,,0.0,,,,0.0,,,0.0,,,,,,,,CID664880,CC(C)CN1CN(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2534327,Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)c(C)o1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID651226,Cn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID5389678,CCc1cc(=O)oc2cc(C)c(CN3CCCC(C)C3)c(O)c12
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID665786,NC(=O)c1c(N)sc(=S)n1-c1ccccc1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID651558,CCCn1c(SCC(=O)Nc2nnc(-c3ccccc3)s2)nnc1-c1ccccn1
+,,,,,,,,0.0,,,,,,,,0.0,CID2978721,CCOC(=O)NC1(C(F)(F)F)N=C(c2ccccc2)NC1=O
+,,,,,,,,,,0.0,,,,,,,CID2972460,CCC(=O)NCCc1nc2cc(NC(=O)c3ccc(OC)cc3)ccc2n1C
+,,,,,,,,,,,,,,0.0,,,CID5345584,CCc1ccc(C(=O)/C=C/c2ccc([N+](=O)[O-])o2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID3241625,O=C(c1ccco1)N1CCN=C1SCc1cccnc1
+,,,,,,,,,,,,,,,0.0,,CID6400918,COC(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID5410765,CC1(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C(=O)C=C2O)OCCO1
+,,,,,,,,0.0,0.0,,,,,,,,CID2100529,O=C(COC(=O)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)NC(=O)NCc1ccco1
+0.0,,,,,0.0,,,0.0,,,,0.0,,,,,CID603778,Cc1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)o1
+,,,,,,,,,,,,,0.0,,,,CID2357312,COc1ccc(C(=O)COC(=O)CNC(=O)c2ccc(OC)cc2)cc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID649831,Cc1c(C)[n+](=O)c2c(n1[O-])CCCCC2
+0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,CID665195,CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)C(C)(C)C
+,,,0.0,,,,,,,,,,,,,,CID665442,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(F)c2)N1CCCO
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID646344,COC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3
+,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,CID765893,COc1ccc(NS(=O)(=O)c2cccs2)c(OC)c1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1434183,Cc1cc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2c(N)n1
+,,,,,,,,,,,,,0.0,,,,CID2148724,Cc1ccc(CSC2=NCCN2S(=O)(=O)c2ccccc2)cc1
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID3246766,CCC1(C)Cc2c(c(=O)n(-c3ccccc3)c3ncnc(N)c23)CO1
+,,,,,,,,0.0,,,,,0.0,,,,CID1235822,CC(C)(C)c1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID3689708,CCOC(=O)c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)c(C)nc1C
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+,0.0,,,,,0.0,,,0.0,,,,0.0,,,,CID2999162,CC(Sc1ccc2c(c1)OCCO2)C(=O)Nc1ccc2c(c1)OCO2
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+,0.0,,,,,,,,0.0,0.0,,,,,,,CID5308891,CCCCN(C)CCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
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+,,0.0,0.0,,,,,,,,,,,,,,CID664382,N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CCCN1CCOCC1
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+0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,,,CID665800,Cc1cccc(Cn2c(=O)c3c(nc4n3CCCN4Cc3ccccc3)n(C)c2=O)c1
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+,0.0,,,,,,,0.0,,,,0.0,,,,0.0,CID3241835,COc1ccc(OC)c(C2=NOC(C(=O)NCC3CCCO3)C2)c1
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+,,,,,0.0,,,,,0.0,,,,,,,CID1987154,CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3
+,,,,0.0,,,,,0.0,,0.0,0.0,,,,,CID15680,Cc1ccc(S(=O)c2ccc(C)cc2)cc1
+0.0,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,CID1093805,Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)no2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2766065,CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1
+,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,CID2948115,CC(=O)Oc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1
+,,,,,,,,0.0,,,,,,0.0,,,CID705653,Cc1cc(OC(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3
+,,,,,,,,,,,,0.0,,,0.0,,CID644508,O=C(Nc1ccc(F)cc1)NC1CCN(Cc2nnnn2Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID912590,Cc1cc(C)cc(C(=O)N2CCCCCC2)c1
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+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID831704,COc1ccc(CCNC(=O)c2ccncc2)cc1OC
+,,,,,,,,,,0.0,,,,,0.0,,CID666302,Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1
+,0.0,,,,,,0.0,,,,,,0.0,,0.0,0.0,CID698934,CC(C)c1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
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+,,,,,0.0,,,,,,,,,,,,CID5349577,COc1cc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)ccc1O
+,,,,,,,,,,,,,,,0.0,,CID665202,Clc1ccc(-c2nnc3sc(-c4ccc(Br)o4)nn23)cc1
+,,,,,,,,,0.0,,,,,,,,CID2539992,CCCn1c(C)cc(C(=O)COC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)c1C
+,,,,,,,,,,,,,0.0,,,,CID1820554,COCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12
+,,,,,0.0,,,,,,,,,,,,CID1471584,N#CC1=C(Nc2ccccc2)SC=C(c2ccc(F)cc2)N=C1N1CCOCC1
+,,,,,,0.0,,,,,,,,,,,CID5334054,CCOC1=C/C(=C/Nn2cnnc2)C=CC1=O
+,,,,,,,,,,,,,0.0,,,,CID2485677,CC(=O)Nc1cccc(NC=C(C#N)C#N)c1
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+,,,,,0.0,,,,,,,,,,,,CID4419918,CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)N(CC)CC
+,,,,,,,,,0.0,,,,,,0.0,,CID3241604,O=C1OC(NC(=O)c2ccccc2)C(N2CCOCC2)=C1Cl
+,,,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,CID2336193,CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1C
+,,,,,,,1.0,,,,,,,,,0.0,CID597363,CC(=O)Nc1cc(OC(C)=O)c2nonc2c1OC(C)=O
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID1245581,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1=NCCS1
+,0.0,,0.0,,,,,,,,,,,,,,CID3242797,CCOC(=O)N1CCC(NC(=O)Cn2c3ccccc3c3cn[nH]c(=O)c32)CC1
+,,,,,,,,,,,,,0.0,,,,CID1117949,O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)N2CCOCC2)cs1
+0.0,,0.0,,0.0,,,,0.0,,,,,,,,,CID649166,CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID892063,Cc1ccc(NC(=S)N2CCN(c3ccccn3)CC2)c(C)c1
+,,,,,,,,,,,0.0,,,,,,CID1048267,CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID645772,N#CC1=C(N)C(C#N)(C#N)C(c2cccnc2)C2CCCC=C12
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID4190625,CC(C)Cn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID3331652,CCCCn1c(-c2nn(C)c(C)c2Cl)n[nH]c1=S
+,,,,,,,0.0,,,,,0.0,,,,,CID5309443,CC(C)(C)c1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccccn2)cc1
+,0.0,,,,,,,,,,,,,0.0,,,CID2380024,Cn1c(=O)c2cc(NC(=O)c3ccccc3Cl)c(=O)oc2n(C)c1=O
+0.0,,,,,,,,,,,0.0,0.0,,,,0.0,CID647162,CCOC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID984539,O=C(c1ccc(CNS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID3150980,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCCC3=CCCCC3)C2)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID5307281,CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
+0.0,0.0,,,,,0.0,,,,,,,0.0,,,,CID894312,O=C(O)CCc1ccc(-c2cccs2)n1Cc1ccco1
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID3238865,C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID823801,CC(C)CC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID848791,CCOc1c(C(=O)CC)cc2c(C)cc(=O)oc2c1C
+,,,,,,,,,,0.0,,,,,,,CID3791197,O=C1CC(c2ccccc2)c2c(O)cc(O)cc2O1
+,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID1090137,O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID653694,CCc1nnc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
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+0.0,,,,,,,,,,0.0,,,,,,,CID652105,COCCNC(=O)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1C
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+,,,,,,,,,,,,,0.0,,,,CID5024860,CCc1ccc(NC(=O)C(C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1257542,Cc1cccnc1NC(=O)Cn1nc([N+](=O)[O-])cc1C
+,,,,,0.0,,,,,,,,,,,,CID2177046,N/C(=N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1)SCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1505151,CNC(=O)CN1C(=O)c2ccccc2S1(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID2239281,Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID2325942,Cc1cc(NC(=O)C2CC2)n(-c2nc3ccccc3s2)n1
+,,0.0,,,,,,,,,,,,,,,CID3305942,Cc1cc(C)nc(NC2=NC(=O)CC(C(=O)O)N2CCc2c[nH]c3ccccc23)n1
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+,,,,,,,0.0,,,,0.0,,,,,,CID653052,CC(=O)Nc1nc(=O)c2ncn(COCCOC(C)=O)c2[nH]1
+0.0,,,,,,0.0,,,,,,,,,,,CID3235791,COc1ccc(-n2c(=O)cc(N3CCCCCC3)[nH]c2=O)cc1
+0.0,0.0,,0.0,,0.0,,,,,,,,,,,,CID658284,Cc1cc(C)n(-c2nc3ccccc3n3cnnc23)n1
+0.0,,,0.0,,0.0,0.0,,,,,,,,,,,CID705702,O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccco1
+,0.0,,,,,,,,,,,,,0.0,,,CID646384,O=C(Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1)OC1CCCCC1
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+,,,,,,,,,,,,0.0,,,,,CID3147403,CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(Cl)c(Cl)c1
+,,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,CID738765,CCOC(=O)C1=C(Nc2cccc(Cl)c2)SCC1=O
+,,,,,0.0,,,,,,,,,,,,CID7312196,CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2398056,Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,,0.0,0.0,,CID5308189,COc1ccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3304472,COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1C
+0.0,,,,,,,,,,,,,,,0.0,,CID3315017,O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1Br
+,,,,,0.0,,,,,,,,,,,,CID753236,CCOc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1263197,S=C(Nc1ccc(Cl)cc1)N1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID892710,Cc1ccc(OC(=O)c2cc(=O)c3ccccc3o2)cc1
+,,,,0.0,,,,,0.0,,0.0,,,,0.0,,CID1314349,O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1
+,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,CID728881,COc1nonc1NCn1nc(C)cc1C
+,,,,,,,,,,,0.0,,,,,,CID1225173,O=C(NCCC1=CCCCC1)C(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16196909,COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2nncs2)cc1OC
+,0.0,,,,,,,,,,,,,0.0,,0.0,CID3241850,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID2917455,COc1ccccc1OCC(=O)NCCNC(=O)COc1ccccc1OC
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID2352626,O=C(COC(=O)c1cncc(Br)c1)NCc1ccco1
+,,0.0,,,,,,,,,,,,,,,CID654289,COC(=O)Cc1[nH]nc2c1C(c1c[nH]c3ccccc13)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID2951564,CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID2962357,O=C1N2CCSC2=NC1(Nc1nccs1)C(F)(F)F
+,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID648118,CCC(C)NC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID313134,CC(=O)Oc1c(C)cc(O)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1139663,COc1ccc(CN(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID805142,CCCc1nc2ccccc2c(=O)n1N
+,0.0,,,,0.0,,,,,,,,,0.0,,0.0,CID665920,COc1ccc(N2C(=O)CC(Sc3nc(C)c4c(n3)CCCC4)C2=O)cc1
+,,,,,,,,,,,,,,,0.0,,CID403058,Clc1ccc(Cn2cc(/C=N/n3cnnc3)c3ccccc32)cc1
+,0.0,,,0.0,,0.0,,,,,0.0,,,,,,CID716728,Cc1cc(C)n(-c2nnc(C)n2NS(C)(=O)=O)n1
+,,,,,,,,,,,,,,0.0,,,CID4189772,Cc1cccc(NC(=O)CSc2nc3ccccc3c3nc(CCc4c(C)n[nH]c4C)nn23)c1
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+0.0,,,,0.0,,,,,,,,,,0.0,,,CID666804,COc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccc(C#N)cc2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID848790,CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1OC
+,,,,,,,,,,,,,0.0,,,,CID1792628,CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl
+,,,0.0,,,,,,,,,,,,,,CID2932710,CCC(Oc1ccccc1)C(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,,0.0,,,CID2959831,Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)o1
+,,,,,,,,,,,,,,,,0.0,CID900727,CCOC(=O)N1CCN(C(=O)c2cnsn2)CC1
+,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,,,CID655089,COC(=O)CSc1nnc(CNc2ccc(OC)cc2)n1C
+,,,,,,,,0.0,,0.0,,,,,,,CID9551524,CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccccn1
+,,,,,,,,,,,0.0,,0.0,,,,CID850112,CCOc1cc(S(=O)(=O)Nc2cc(C)cc(C)c2)ccc1Cl
+,,0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,,,0.0,CID754032,Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c(C)c1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID1503091,c1csc(Cc2nc(-c3ccc(-n4cccc4)cc3)no2)c1
+,,,,,0.0,,0.0,0.0,,,,,,,,,CID3245809,O=C1CC(C(=O)N2CCC3(CC2)OCCO3)CN1CCc1ccccc1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2969119,CCC(O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2
+,,,,,,,,,,,0.0,,,,0.0,,CID828729,Cn1c(NCc2ccco2)nc2ccccc21
+,0.0,,,,,,,,,,0.0,,,,,,CID3237536,O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1-c1ccccc1
+,,0.0,,,,,,0.0,,,,,0.0,,,0.0,CID683678,CC(=O)CCS(=O)(=O)c1ccc(C)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2792230,CC(NC(=O)COc1ccc([N+](=O)[O-])cc1)c1ccccc1
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID3239177,CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(OC)cc2)nc1=O
+,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,0.0,,CID3239369,O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID822215,Cn1c(=O)c2nc(Cl)c(-c3ccccc3)nc2n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1570011,COC(=O)c1cccc(NC(=O)CCCOc2ccccc2)c1
+,,,0.0,,,,,,,,,,0.0,,,,CID889054,CS(=O)(=O)N(Cc1ccco1)Cc1ccccc1Cl
+,,0.0,,,,,,,,,,,,,,,CID6324587,CCOC1=CC=C/C(=C2/N=c3c([nH]c(=O)n3-c3cccc(Cl)c3)=C(C(N)=O)N2)C1=O
+0.0,,,0.0,,0.0,,,,,,,,,,,0.0,CID659350,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
+,,,,,,,,,,,,0.0,,,,,CID654594,COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OC
+,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID706858,CCNS(=O)(=O)c1c(C)cc(N2CCCC2=O)cc1C
+0.0,0.0,,,0.0,,,,,0.0,,,0.0,,0.0,,,CID3436636,COC(=O)c1ccc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1905664,Cc1ccc(C(=O)Oc2oc(-c3ccco3)nc2/C=N/c2ccc(Cl)cc2)cc1
+,,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,CID2212703,O=C(O)Cn1cc(C(=O)c2cccs2)c2ccccc21
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,,CID3243991,O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID1484583,CC(=O)Nc1ccc(OCc2cnc(Cl)s2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2893763,O=C(O)c1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID3800740,COc1ccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1925730,COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-]
+,,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,CID1294866,CNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID675362,Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1C
+,0.0,,,,,,,,,,,0.0,,,,,CID654340,O=C(Nc1ccc2c(c1)CCC2)C1CCCN(c2ncccn2)C1
+,,,,,,,,,,,0.0,,,,,,CID1006858,CCOc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,,CID2372906,Cc1ccc(S(=O)(=O)N(C)Cc2ccc(-c3nnco3)cc2)cc1
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID650593,CCn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3193641,CC(C)C(c1nnnn1C(C)(C)C)N1CCOCC1
+0.0,,,0.0,,,,0.0,,,,0.0,,,,,,CID42999,Nc1c(NCc2ccccc2)c2ccccc2oc1=O
+,,0.0,,,,,,,,,,0.0,,,,,CID5389658,CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OCC)cc2)C1=O
+,0.0,,,,,,,,,,,,,,,,CID972407,COc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,,0.0,,,CID872300,CCOC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID648733,Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2517341,CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)[nH]c2c1
+,,0.0,,,,,,0.0,,,,0.0,,,0.0,,CID2890,O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID895429,O=C(Nc1ccccc1)N1CC=C(c2ccccc2)CC1
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID650441,CCCc1cc(N2CCCC(C(=O)Nc3c(OC)cccc3OC)C2)n2ncnc2n1
+,0.0,,0.0,,,,,,,,,,,,,,CID2950605,CCOC(=O)N1CCN(C(=O)c2cccc(OC)c2OC)CC1
+,,,0.0,,,,,,,,,,,,,,CID714956,CN(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
+,,,,0.0,,,,,,,,,0.0,,,,CID4433439,Cc1cccn2c(=O)c3cc(C(=O)NC4CCS(=O)(=O)C4)sc3nc12
+,,,,,,,,,,,,,0.0,,,,CID2547421,N#Cc1cccc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc[nH]2)c1
+,,,0.0,,,0.0,,,,,,,,,,,CID2087805,COc1ccc(CN2C(=O)NC3(CCCCCC3)C2=O)cc1F
+,,,,,,,0.0,,,,,,,,,,CID646096,Cc1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
+,,,,0.0,,,,,,,,,,,,0.0,CID3241294,CCOC(=O)CSc1nc2ccsc2c(=O)n1C1CCN(C(=O)OCC)CC1
+0.0,,,,,,0.0,,,,,,,,,,,CID866407,CC(C)Nc1ncnc2c1cnn2-c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,0.0,,,,CID3236115,Cc1ccccc1S(=O)(=O)NC1OC(=O)C(Cl)=C1Cl
+0.0,,0.0,,,,,,,,0.0,,0.0,,,,,CID2545997,Cn1cccc1C(=O)NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1
+0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID1492379,O=C(Nc1nc2ccccc2n1CCOc1ccc(Cl)cc1)c1ccco1
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID647994,Cc1ccc(S(=O)(=O)N2CCN(c3nc(C)nc4sc(C)c(C)c34)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2890840,O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1N1CCCC1
+,,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0,CID3242623,CCOc1ccccc1C(=O)n1nc2nc(C)cc(C)c2c1N
+0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID2562010,CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1-c1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID5389946,CN(C)CCN/C=C1\C(=O)NC(=O)N(C2CCCCCC2)C1=O
+,,,,,,,0.0,,0.0,,,,,,,,CID654880,COc1cccc2c(=O)c3c(cnn3C)n(C)c12
+,,,,,,,,,,0.0,,,,,,,CID2345620,CC(=O)Cc1nsc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5307335,Cc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)nc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID5307704,CCOC(=O)C1CCCN(c2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)C1
+,,,,,,,,,,,0.0,,,,,,CID3669977,COC(=O)c1ccccc1Sc1c(/C=N/OCc2ccc(Cl)cc2)c(C(F)(F)F)nn1C
+0.0,,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0,CID3235725,CCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
+,,,,,,,,,,,,,,0.0,,,CID4365273,CCC(C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
+,,,,,,,,,,,,,,0.0,,,CID5771729,Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2ccccn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1306561,Cc1ccc(SCCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1
+,,0.0,,,,,,,,,,0.0,,0.0,,,CID656347,Cc1nc(N2CCOCC2)c2oc3ccccc3c2n1
+,,,,,,,,,0.0,,,,,,,,CID2925055,O=C1CC(C(=O)Nc2ncccn2)C(c2ccccc2)O1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2981213,O=C(NCc1cccnc1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID1325285,COc1ccc(/C(C)=C2/SC(=S)N(CCC(=O)O)C2=O)cc1
+,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,CID2235682,CCCC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID5315,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
+0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,CID2536961,O=C(COc1cccc2cccnc12)Nc1nccs1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,CID650133,CCn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID667313,COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCC(C(N)=O)CC2)cc1Cl
+,,,,,,,,,,,,,0.0,,,1.0,CID2999354,CN(C(=O)COC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C1CCS(=O)(=O)C1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID656172,O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)N1CCOCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID2344558,Nc1c(NCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2478897,COc1ccccc1N(CC(=O)NC(C)C)S(=O)(=O)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID621951,CC(C)=C1C(=O)NN(c2ccc(C)c(Cl)c2)C1=O
+,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,CID663538,CCSc1nc(-c2ccc(OC)cc2)n(-c2nc3ccccc3s2)n1
+,,,,,,,,,,,,,0.0,,,,CID3431447,CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c1
+,,,,,,,,0.0,,,,,,,,,CID2226539,CCOCCc1nnc(NC(=O)Cc2ccc(Br)cc2)s1
+,0.0,,,0.0,,,,,,,,,,,,,CID2514505,O=c1nc(CSc2nnc(NCCCN3CCOCC3)s2)[nH]c2cc(Cl)ccc12
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID2769728,Cc1ccc(C(C)C)c(OCC(O)CN2CCOCC2)c1
+,,,,,,,0.0,,,,,,,,,,CID2198093,Cn1c(=O)c2ncn(CC(=O)NCCOc3ccc(C(C)(C)C)cc3)c2n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1987766,O=C(NCCCN1CCOCC1)NC1CCCCC1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID651768,Cc1cc(=O)[nH]c2c1c(=O)[nH]n2C1CC(C)N(C)CC1C
+,0.0,,,,,,,,,,0.0,,,,,,CID662434,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1cccc(C(=O)O)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID2971061,CCC(C(=O)N1CCN(S(C)(=O)=O)CC1)c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID655677,Cc1ccc(-c2nn[nH]n2)o1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID563336,Nn1cnn(Cc2ccccc2)c1=S
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID667038,Cn1c2c(c(=O)n(C)c1=O)CN(CCCN1CCOCC1)CN2
+,,,,0.0,,,,,,,,0.0,,,,,CID650499,OC(c1cccnc1)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID5346044,Cc1ccc2c(c1)N/C(=C1/C=C(NC(=O)/C=C/c3ccccc3)C=CC1=O)O2
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID767426,CCCc1c(C)c2cccc(C)c2[nH]c1=O
+,,,,0.0,,,,,,,,,,,,,CID657298,CCCc1cc(=O)[nH]c(=S)[nH]1
+,,,,0.0,,,,,,,0.0,,,,,,CID3238836,O=C(CCn1c(=O)sc2ccccc21)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID641891,CC(=O)c1cnc2c(-c3ccccc3)cnn2c1C
+0.0,,0.0,,0.0,,,,,,,,,0.0,,,,CID656261,O=C(NC1CC1)c1ccc(S(=O)(=O)NC2CCCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1233931,c1csc(-c2nn3cnnc3c3ccccc23)c1
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+,,,,,,,,,,,,,,0.0,,,CID2122317,CCOc1ncccc1C(=O)OCc1ccc([N+](=O)[O-])cc1
+,,,,,,,,0.0,,,,,,,,,CID937232,O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccncc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2079871,O=C(CCc1nc2ccccc2s1)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,0.0,,,,,,,,,CID651750,C#CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1
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+,,,,,,,,,,,,,,0.0,,,CID4433550,CC1(C)CC(=O)C=C(NNC(=O)OC(C)(C)C)C1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID655149,Cc1cc(C)nc(Nc2ccccc2Br)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID943516,O=C(OCc1c(Cl)cccc1Cl)c1ccccn1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID3239255,COc1ccc(-c2nn(C)c3sc(C(=O)NCc4ccco4)cc23)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1940783,S=c1[nH]nc(-c2ccc3ccccc3n2)n1-c1ccccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID3197213,O=C(CCCC(=O)N(c1ccc2c(c1)OCCO2)C(C(=O)NC1CCCCC1)c1ccc(F)cc1)Nc1ccccn1
+,,,,0.0,,0.0,,0.0,,,,0.0,,,,,CID664778,COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccncc3)C(C)C)cc2c1
+,,,,,,,,,,,,,,,,0.0,CID2160633,COc1ccc(OC)c(NC(=O)NC2(C(F)(F)F)Oc3ccccc3O2)c1
+,,0.0,,,,,,,,,0.0,0.0,0.0,,,,CID2998717,COc1ccc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2929910,CCN1C(=O)NC2C1N(S(C)(=O)=O)CCN2S(C)(=O)=O
+,,,,,0.0,,,,,,,,,0.0,,,CID1295794,CC(=O)c1ccc(NC(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2129703,Cc1ccccc1OCCCCn1cnc2ccccc21
+,,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID2219625,O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCC3)Nc1ccccc1
+,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,CID652383,c1csc(CNc2nc3ccccc3n2CCN2CCOCC2)c1
+0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,CID699102,COc1ccc2c(CCNC(=O)c3ccco3)c[nH]c2c1
+,,,,,,,,0.0,,,,,0.0,,,,CID2886808,Cc1ccc(C2CC(=O)C=C(O)C2)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID647262,Cc1ccc(-c2cnc(NC(=O)CCC(=O)N3CCCCC3)n2C)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID661940,COCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
+,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,CID2965119,O=C(CCC1COc2ccccc2O1)N1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID3143005,O=C(Nc1nc2ccc(Cl)cc2s1)c1ccco1
+,,,,,,0.0,0.0,,,,,0.0,,,,0.0,CID2920929,CCOC(=O)c1ccc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1
+,,,,,,,,,,,0.0,,,,,,CID824727,CCOC(=O)c1cc(Br)c(=O)n2ccccc12
+0.0,,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID2306374,O=C(CSc1cccc2cccnc12)NCc1ccco1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID3237472,O=C(CN1C(=O)COc2ccccc21)NCCN1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID1360847,O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)C(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4879158,Cc1ccc(C2NNC(=O)C2NC(=O)c2ccccc2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3244577,COc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID2955887,CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1
+0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID869380,c1ccc(CNn2c(N3CCOCC3)nc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID976270,O=C(NCc1ccccn1)c1ccccc1-c1ccccc1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID3236761,COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cnn(C)c3)c(=O)n12
+,,,,,,,,,,,0.0,,,,,,CID745713,CCOC(=O)c1ccc(N2Cc3ccccc3C2=N)cc1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID657612,CCOC(=O)C1=C(C)NC(=O)C1CC(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID903952,COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC(C)C
+,,,,,,,,,,,0.0,,,,0.0,,CID2952397,O=C(CS(=O)(=O)Cc1ccccc1)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID4671173,Cc1ccc(C2CCN(C(=S)Nc3cccc(Cl)c3)C2)cc1
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID5389574,CCCCN1C(=O)NC(=O)/C(=C(\C)Nc2ccc(OCC)cc2)C1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID2785101,O=C1Nc2ccccc2C(=O)C1(Cl)Cc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID3243332,CCOC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)CC1
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID646417,CCOc1ccc(N2C(=O)C3CCCN3C2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID3000141,Cc1cn2c(nc1=O)OC1C(O)C(COC(=O)c3ccccc3)OC12
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,CID2291125,CCCc1cc(=O)nc(SCCOc2ccc(Cl)cc2)[nH]1
+,,,,,0.0,,,0.0,,,0.0,0.0,,,,,CID761462,Cn1c(CNc2ccccc2)cc(=O)n(C)c1=O
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,CID644963,COC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID2971711,CCC(C(=O)Nc1ccccc1C(=O)N1CCCC1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID16193857,COc1cc2c(=O)n(CCCC(=O)NCC3CCCO3)c(=O)n(CC(=O)c3ccc(F)cc3)c2cc1OC
+,,,,,,,,,,,0.0,,,,,,CID3220753,Cc1ccc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2225174,O=C(Cc1cccs1)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2896320,CN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID831427,Cc1nn(C)cc1NC(=O)c1nn(C)cc1[N+](=O)[O-]
+,0.0,,,,,,,,,0.0,0.0,,,,0.0,,CID3238317,CCc1nnc(NC(=O)Nc2ccc(OC)cc2)s1
+,,,,,,,,,,0.0,,,,0.0,,,CID292652,CCOC(=O)CCCc1c[nH]c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1178186,COC(=O)c1ccccc1NC(=O)CSCC(=O)Nc1ccc(F)cc1
+,0.0,,,,,,,,,,,,,,,,CID650010,Cc1cc(NCCN(C)C)n2nc(-c3cccs3)cc2n1
+,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID644811,O=C(NCc1ccccc1F)C1CCCN(C(=O)NC2CCCCC2)C1
+,,,0.0,,,,,,,,,,,,,,CID1334813,OCCn1c(CSc2nc3ccccc3n2CCO)nc2ccccc21
+,,,,,,,,,,,,,,,,0.0,CID2960051,CCOC(=O)C1SC2(C(F)(F)F)CC1(O)c1c(C)cc(C)nc1O2
+,,,,,0.0,,,,,,,,0.0,,,,CID4373090,O=C(COC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCCc1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID2346191,O=C(NCCCN1CCCC1=O)c1cc(=O)c2ccccc2o1
+,,,,,0.0,,,,,,,,,,,,CID3222782,O=C(Nc1cccc2ccccc12)C1CCN(C(=O)NCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID975319,COc1cc(Cl)c(C)cc1NC(=O)Cc1ccc(OC)c(OC)c1
+,,,,,,,,,0.0,,,,,,0.0,,CID746025,COc1ccc(Cc2nnn(CC(=O)O)n2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID788158,Cc1c(C#N)c(N)c(C(=O)c2ccccc2)n1Cc1ccccc1
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID652725,c1ccc(OCCCn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2835195,O=C1c2ccccc2C(=O)C12OC(c1ccccc1)C1(C(=O)c3ccccc3C1=O)C2c1cccc([N+](=O)[O-])c1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID3240227,COc1cccc(-n2nc(C(=O)O)c3ccccc3c2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID5339436,COc1ccc(C2=C(c3ccc(OC)cc3)NC(=C3C=CC(=O)C=C3)N2)cc1
+,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,CID3239175,COc1ccc(NC(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2cccnc2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2209040,O=C(c1cccs1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID2268421,COc1ccc(C2CC(=O)C(=CNCCCN3CCOCC3)C(=O)C2)cc1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID752316,O=C(Nc1ccccc1Cl)N1CCN(c2ccccn2)CC1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID647912,COCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2
+,0.0,,,,,,,,,,,,,,,,CID3862172,CC1CN(c2nc(-c3ccccc3)nc3ccccc23)CC(C)O1
+,0.0,,,,,,,,,,,,,,,,CID5309837,Cc1cc(SCC(=O)c2ccccc2)n2nc(C)nc2n1
+,,,,0.0,,,,,,,,,,,,0.0,CID2933592,COc1ccc(S(=O)(=O)N2CC(C)N(S(=O)(=O)c3ccc(OC)cc3)CC2C)cc1
+0.0,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,CID659939,O=C(Nc1ccncc1)C1c2ccccc2Oc2ccccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID592024,CCc1ccc(N2C(=O)NC(=O)C(Cc3ccc(OC)cc3OC)C2=O)cc1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,,CID663169,CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1
+0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,CID2109139,O=C(c1ccco1)N1CCCS/C1=N\c1ccccc1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID647513,CC(C)n1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID2062124,NC(=O)Cn1c(=O)oc2ccccc21
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID2572768,Cc1noc(C)c1CSCC(=O)OCc1nc2ccccc2c(=O)n1CC#N
+,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,CID3239193,Cc1cccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCC3)c1C
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID3162449,CC(C)Oc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1
+,0.0,0.0,0.0,,,,,,,,,,0.0,,,0.0,CID1562722,CCCCOC(=O)Nc1cc(OC)c(Cl)cc1OC
+0.0,0.0,,0.0,,,,,,0.0,,,,,,,,CID888315,Nc1ccccc1-c1n[nH]c(SCc2ccccc2F)nc1=O
+,,,,,,0.0,0.0,,,,,,,,,,CID3236130,O=C(C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)N1CCCC1
+0.0,,,,,,,0.0,,,,0.0,,,,,0.0,CID1378308,c1ccc(COc2cccc(CN3CCN(c4ccccn4)CC3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1014412,O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID3224233,Cc1cc(C)nc(N2CCCC(C(=O)NCc3ccccc3)C2)n1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID1893077,N#Cc1cc2c(nc1SCc1ccccc1)CCCC2=O
+,,,,,,,,,,,,,,,0.0,,CID2972189,Cc1ccc(NC(=O)CCCCCC2NC(=O)NC2C)cc1
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID2916627,O=C1CC(c2ccoc2)CC(Nc2ccccc2)=C1C(=O)Nc1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2150626,Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2C)s1
+,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,CID2976158,COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1Cl
+,,,,,,,,0.0,,0.0,,,,,,,CID2311408,Cc1ccc(OCC(=O)Nn2cnc3ccccc32)cc1
+,,,,,,,,,,,,0.0,,,,,CID660688,COC(=O)CCCC(=O)N1CCOCCN(C(=O)CCCC(=O)OC)CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1748953,CCCCc1ccc(/C=C2/C(=O)ON=C2c2ccccc2)s1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID869406,CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2884071,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID973374,COC(=O)COc1cccc(NC(=O)c2ccccc2)c1
+,,,,,,0.0,,,,,,,,,,,CID2117063,CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID738615,COc1ccc(S(=O)(=O)N2CCCCC2)cc1Br
+,,0.0,,,0.0,,,,,,,,,,,,CID2079781,Cc1ccccc1OCCn1nc(C(=O)O)c2ccccc2c1=O
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,CID659972,Cc1cc2c(cc1C)-c1nnnn1C(C)(C)C2
+0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2089563,Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2967311,CSc1cccc(NC(=O)C(C)NS(=O)(=O)c2ccc(F)cc2)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID2219000,O=C1Nc2ccc(S(=O)(=O)N3CCCC3)c3cccc1c23
+,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,,,CID654744,O=S(=O)(NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,CID665176,CCn1c(COc2ccccc2)nnc1SCc1ccc(C#N)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID2997618,O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID893294,COC(=O)COc1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2078354,COc1ccc(-n2cnnc2SCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,,CID656064,CC(C)(C)Cc1nnc(NS(=O)(=O)c2ccc(F)cc2)s1
+,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0,,CID3239808,Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2sccc21
+,,,,,0.0,,,,,,,,,,,,CID2851650,Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1488550,C/C(=N\OCc1ccc(Cl)cc1)c1ccc(CC#N)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID2430122,Cc1ccccc1Nc1nnc(SCc2nc(=O)c3ccccc3[nH]2)s1
+,,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,CID3237142,Cc1cc(C)n2nc(CC(=O)NC3CCCCCCC3)nc2n1
+,,,,,,,,,0.0,,,,,,,,CID5720510,CCC(C)N/C=C1/C(=O)NC(=O)N(c2ccccc2)C1=O
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+0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID1265172,COc1ccc(CNc2nc3nc(-c4ccccc4)cc(=O)n3[nH]2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID1554876,CCCOC(=O)c1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID4878881,Cc1cccc(N2N=C(C(=O)Nc3nc(C)cs3)CCC2=O)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID3240864,Fc1ccc(CNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1
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+,0.0,,,,,,,,,,,,,,0.0,,CID3243256,CCc1nnc(SCC(=O)N2CCCc3ccccc32)nc1CC
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+,0.0,,,,0.0,,0.0,,,,,,,,,,CID648799,Cc1ccc2nc(N3CCN(Cc4ccc(F)cc4)C3=O)c(C)cc2c1
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+,0.0,,,,,,,,,,,,,,,,CID2079942,CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCCOc3ccccc3C)o2)c1
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+,,,,,,,,,,,0.0,,,,,,CID2766626,CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID765100,N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)O
+,,,,,0.0,,,,,,,,,,,,CID2889564,CCOC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(F)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1441188,Cc1ccc(C)c(Nc2ccc(C(=O)NCCc3ccccc3)cn2)c1
+,,,,,,,,,,,0.0,,,,,,CID1207838,CCN(CC)Cc1c(O)ccc2c([N+](=O)[O-])c(C)n(-c3ccc(OC)cc3)c12
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+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3239410,COc1cccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID2918454,COC(=O)c1sc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2ccc(F)cc2)nc1C
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+,,,,,0.0,,,,,,,,,,,,CID2769286,O=C(O)c1ccccc1C(=O)NNc1ccc(Cl)cc1
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+,,,,,,,,,,,,,0.0,,,,CID767425,COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
+,,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID2247300,COc1ccccc1OCCCCNCCO
+,,,,,,,,,,,,,,0.0,,,CID9550707,CCn1ncc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)c1C
+,,,,,,,,0.0,,,,,,,,,CID663532,CCCCC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID3244552,CC(C)NC(=O)c1cc(-c2ccc(Br)cc2)on1
+0.0,,,0.0,,,,,,,,,0.0,0.0,,,,CID2998727,COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCCn2ccnc2)cc1
+,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,,,CID649833,Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3209801,CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C2CCCC2)CC1
+,,,,,,,,,,,0.0,,,,,,CID728912,CN(C)/C=C1\C(=O)Nc2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID5307904,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID792638,CCOc1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID655660,CN(C)CCNC(=O)COc1cccc(Cl)c1
+,,,,,,,,,,,0.0,,,,,,CID3241865,CN1CCOc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21
+,,,,,,,,,,0.0,,,,,,,CID9551696,CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N/N=C/C1=Cc2ccccc2OC1C
+,,,,,,,,,0.0,,,,,,,,CID878657,CN(C)/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O
+,,,,0.0,,,,,,,,,,,,0.0,CID2997951,Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3Cc4ccccc4CN3C(=O)c3ccco3)CC2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID764682,CCOC(=O)C1CCN(Cc2ccccc2C)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID694865,COc1ccc(CC(=O)Nc2cc(C)on2)cc1OC
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID2958352,O=C(CN1CCOCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCOCC3)cc2)cc1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID2962252,O=C(O)C1CC(c2cccc(Br)c2)=NO1
+0.0,,,,,,,,,,0.0,,0.0,,0.0,,,CID2219051,CCCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
+,,,,,,,,,0.0,,,,0.0,,,,CID3127155,O=[N+]([O-])c1ccc(NNC(=S)Nc2ccc(F)cc2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID3245057,Cc1ccc(CNC(=O)c2coc(=O)c3ccccc23)o1
+,,,,,,,,0.0,,,,,,,,,CID2572998,COCCNC(=O)COc1ncnc2ccc(Br)cc12
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+,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,CID847885,Cc1cc(N2CCCC2=O)cc(C)c1S(N)(=O)=O
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+,0.0,,,,,,,,,,,,,,,0.0,CID662622,CC(C)C1NC2(C(=O)c3ccccc3C2=O)C2C(=O)N(c3ccc(F)cc3)C(=O)C12
+,0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID1861514,CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID1482782,CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(Cl)cc3C)s2)CC1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID2998678,O=C1COc2ccc(C(=O)COC(=O)c3ccc4ccccc4n3)cc2N1
+,,,,,,,,,,,,,0.0,,,,CID3120237,COc1ccc(NC(=O)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
+,0.0,,,,,0.0,,0.0,,,,,0.0,,,,CID1252416,COc1cc(OC)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1
+,0.0,,,,,,,,,,0.0,,,,,,CID660849,Cn1ncc2nnn(-c3ccccc3)c(=O)c21
+,,,,,,,,,,,,,,0.0,,,CID2931120,CCOC(=O)C1=C(c2ccccc2)NC(=S)NC1c1ccc(C)c([N+](=O)[O-])c1
+,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,CID2160378,CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(F)cc2)CS(=O)C3)cc1
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID983914,C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCCC3
+,,,,,,,,,0.0,,,,,,,,CID3136912,O=C1C=C(Nc2cccc(O)c2)CC(c2ccco2)C1
+,,,,,,,,,,,0.0,,,,,,CID749340,CC1(C)CC(=O)C=C(NNC(=O)c2ccccc2O)C1
+,,,,,,,,0.0,,0.0,,,,,,,CID1124445,CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)cc12
+,,,,,0.0,,,,,,,,,,,,CID886557,COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)O)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID661318,C/C(=N\O)c1cc2ccccc2oc1=O
+,,,0.0,,,,,,,,,,,,,,CID3238011,Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n3ccccc3nc21
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID3237176,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CC(=O)NCc4ccco4)C(=O)N23)cc1
+,,,,,,,,,,,,,0.0,,,,CID1912790,COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1
+,,,,,,,,,0.0,0.0,,,,,,0.0,CID615484,Cc1nc2nc(-c3cccs3)cn2nc1C
+,,,,,,,,,,,,,0.0,,,,CID2868425,CC1=NNC(=O)C1CCC(=O)N/N=C/c1ccco1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID2055696,COCCCNc1oc(-c2ccccc2F)nc1C#N
+,,,,,,,0.0,,,,,,,,0.0,,CID5308063,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1
+,,,,,0.0,,,,,,,,,,,,CID2833794,CN(C)c1cc2c(c(N(C)C)c1)C(=O)c1ccccc1C2=O
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID654529,CCCCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID658579,CNc1nc(C)c(C#N)cc1C(C)=O
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID789810,Cc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID2946226,COC(=O)C(C(=O)N1CCN(C)CC1)C1CCCCCC1
+,,,,,0.0,,,,,0.0,,,,,,,CID755926,Cc1cc(C)n2ncc(C(=O)NCc3ccccc3)c2n1
+,,,,,,,,,,0.0,,,,,,,CID754624,O=c1c2c(-c3ccc([N+](=O)[O-])cc3)csc2nc2n1CCC2
+0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,,0.0,CID657608,CCOc1ccc(/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID655420,CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CNC(C)=O
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID612723,O=c1cc(C23CC4CC(CC(C4)C2)C3)[nH][nH]1
+,,,0.0,0.0,,,0.0,,,,0.0,,,,,,CID895286,NC(=O)COc1ccc(NC(=O)OCc2ccccc2)cc1
+,,,0.0,,0.0,,,0.0,,,0.0,,,,,,CID651814,O=C(CN1CCOCC1)Nc1ccc(C2CCCCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2335498,CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)n1
+0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,CID2950022,O=C1CC(SCc2nc3ccccc3[nH]2)C(=O)N1c1ccc(F)cc1
+0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID662589,COc1ccc(-c2nnc(SCc3ccccc3)n2N)cc1
+,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID887689,COc1ccc(Cl)cc1C(=O)n1nc(C)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2965325,COc1ccc(NC(=O)CC(c2ccccc2)c2ccco2)cc1
+,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,,CID645001,COc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccccc3)[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID849676,O=C(Cc1ccccc1Cl)NNC(=O)Nc1ccccc1
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID3238449,CCC(=O)Nc1c2c(nn1-c1ccccc1C)CSC2
+,,,,,,,,,,,,,,0.0,,,CID1131505,COc1cc(C(=O)Nc2sc(C(=O)N3CCOCC3)c(C)c2C#N)cc(OC)c1OC
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID712745,Cn1c(=O)c2c(ncn2CC(=O)NC(C)(C)C)n(C)c1=O
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID3237434,O=C1CSC(c2ccccn2)N1c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1100065,CCOc1ccccc1N(CC(=O)Nc1cc(OC)ccc1OC)S(C)(=O)=O
+,0.0,,,,,,,,,,,,,,,,CID5742578,CCC(=O)Oc1ccc(C/C(NO)=C2\C=CC(=O)C=C2O)o1
+,,,,,,,,,,,,,,0.0,,,CID990451,Cc1ccc(-n2nc3c(SCCN4CCOCC4)nnc(C)c3c2C)cc1
+0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,CID667164,COc1ccccc1C(=O)Nc1ccc2c(c1)nc1n2CCSC1
+,,,,,0.0,,,,,,,,,,,,CID2864300,Cc1ccc(C(=O)NCCNc2ccc(Cl)cc2[N+](=O)[O-])o1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5309636,Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(C)nc2n1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID1011947,O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1
+,,,,,0.0,,,,,,,,,,,,CID683976,Cc1cccc(NC(=O)COc2c(C)cc(C)cc2C)c1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID756751,CCOc1ccc(-n2c(SC(C)C)nc3c(c2=O)SCC3)cc1
+,,,,,,,,,,,,,,0.0,,,CID645864,COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCC(=O)O)c1
+,0.0,,,,0.0,0.0,,0.0,,,,,,,,,CID2999396,Cc1ccc(C)c(C(=O)C(C)OC(=O)c2cccn2C)c1
+,,,,,,,,,0.0,,,,,,,,CID4457907,CC1=CCC(C(=O)O)(C(=O)N/N=C/c2cccs2)C(c2ccc([N+](=O)[O-])cc2)C1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID892902,C/C(=N\N1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1
+,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,CID1300331,C=CCn1nnnc1SCC(=O)Nc1cccc(OC)c1
+,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,CID3235996,Cc1nc2sc(C(c3cccc(F)c3)N3CCC(C)CC3)c(O)n2n1
+,,,,0.0,,0.0,,,,,,,,,,,CID2999534,CCOC(=O)c1c(/N=C/N(C)C)sc(C(=O)OC)c1C
+0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,,CID3896375,O=C(Cc1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID5127143,CNC(=S)N/N=C(\C)c1ccc(-n2ccnc2)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1361318,COc1ccc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)cc1OC
+,,,,,,,,,0.0,,,,0.0,,,,CID2459480,O=C(COC(=O)c1cccnc1Cl)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1097196,Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3240415,CCOCCCNC(=O)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
+,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,CID653594,Cc1ccc(NC(=O)COC(=O)c2ccn(C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1366565,CN1C(=O)/C(=N\OC(=O)c2ccccc2Br)c2ccccc21
+,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,CID3242480,COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0,CID2998553,CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID712056,Cc1cc(C)c2nc(Nc3nc(=O)cc(C)[nH]3)nc(C)c2c1
+,,,,,,,,,,,,,,0.0,,,CID3667318,O=C(Nc1nnc(-c2ccccc2)o1)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3543597,CC(C)Cc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID1714727,O=S(=O)(NCCCc1ccccc1)c1cccc2nsnc12
+,,,,,,,,,,,,,0.0,0.0,,,CID1201156,O=C(O)CCCN1C(=O)/C(=C\c2ccco2)SC1=S
+0.0,,,,,,,,,,,,,,,,,CID3241759,OCCNc1nc(OCC(F)(F)F)nc(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)n1
+,,,,,,,,,,,,,,0.0,,,CID834351,Cc1cc2n(c(=O)c1C#N)CCCN2c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID718059,Cn1c(=O)c2c(ncn2CC(=O)NCc2cccnc2)n(C)c1=O
+,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID2834471,O=C1CC(N2CCOCC2)C(=O)N1c1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1948266,CCOC(=O)c1cnc(N2CCN(C(=O)OCC)CC2)[nH]c1=O
+0.0,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,CID664160,Cc1ccc(S(=O)(=O)NC(C(=O)N2CCC(C(=O)N3CCCC3C(=O)O)CC2)C(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1482766,COC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(NC(=O)C2CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID783224,Cc1ccc(CN2CCN(c3ncccn3)CC2)o1
+,,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,CID2570486,O=C(CCCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)N1CCc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID791485,CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCC1
+,0.0,,0.0,,,,,,,,,,,,,,CID5401,COc1cc2nc(N3CCN(C(=O)C4CCCO4)CC3)nc(N)c2cc1OC
+,,0.0,,0.0,,,,,,,,,0.0,,,,CID1076679,CNS(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)NC)cc2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID2998878,COc1ccc(CNC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID120035,c1ccc(-c2n[nH]c3c2CCC3)cc1
+,,,,,,,,,,,0.0,,,,,,CID27775,CNc1nc(N(C)C)nc(N(C)C)n1
+,,,,,0.0,,,,,,,,,,,,CID4318591,CCOC(=O)COc1c(OC)cc(Cl)cc1C1Nc2ccccc2C(=O)N1c1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID3776559,C=CCOC(=O)C1=C(C)NC(SCC)=C(C#N)C1c1ccc(Cl)cc1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID1564271,Cc1ccccc1OCCCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,,,,,,CID2122744,CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCc3ccccc32)c1C
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID647971,CCc1cc2ccccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID2057726,CCOc1cc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)C3)cc(OCC)c1OCC
+,,,,,,,,,,,0.0,,,,,,CID4119569,Cc1ccc(NC(=S)NNC(=O)C2CC2c2ccc(C)cc2)cc1
+,,0.0,0.0,0.0,,,,0.0,,,,,,,,,CID3238392,CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3cccc(C)n3)C(C)C)ccc21
+,,,,,,,,0.0,,,,,,,,,CID3241150,CCn1cc(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccc(C)nc21
+0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,CID974089,CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCCCC2)c1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2225496,CCCCC(=O)Nc1ncc(Br)s1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID1107114,O=C(NCc1cccnc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID2967270,CCOc1cc2c3c(c1)C(C)CC(C)(C)N3C(=O)C2=O
+,0.0,,0.0,,,,,,,0.0,,,,0.0,,,CID700117,O=C(Oc1ccc(-c2nnco2)cc1)N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5348706,CC1C(c2ccccc2)=[N+]([O-])C(C)(c2cccs2)N1O
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID648170,O=C(Cn1c(=O)oc2ccccc21)N1CCCCC1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID762507,COc1ccccc1NC(=O)NC(N)=O
+,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,,CID658564,Cc1ccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c2c1
+,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,CID669164,COc1ccccc1CNS(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID911093,CC(C)COC(=O)Nc1ccc(C(=O)O)cc1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID5310459,O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID855241,CCn1nnnc1SCC(=O)N1CCc2ccccc21
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID5409968,CCN/C(O)=C1/C(=O)Nc2ccccc2C1=O
+0.0,,0.0,,,,0.0,,,,,0.0,,,,,,CID666951,Cc1cc(N2CCc3ccccc32)n2ncnc2n1
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID648769,O=C(CS(=O)CC(=O)Nc1ccc(Cl)cc1)NCC1OCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1260980,Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)N2CCCCC2)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID1246606,Cc1noc(C)c1C(=O)Nc1c(F)cc(F)cc1Br
+0.0,,,,,,,,,,,,0.0,,,,,CID5308297,CC(CCc1ccccc1)NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1
+,0.0,0.0,,,,,,0.0,,,,0.0,,,,,CID2199248,CC(=O)CCc1ccc(OCCCCn2cncn2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3155647,COC(=O)c1cn(CC(=O)N2C(C)CCCC2C)c2ccccc12
+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,CID2292227,C=CCNc1nc(-c2sc(NC(=O)CC)nc2C)cs1
+,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID1507951,Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1
+0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2998848,Cc1cc(=O)nc(SCC(=O)N2c3ccccc3CC2C)[nH]1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2553127,CC1(C)C(=O)Nc2ccccc2N1C(=O)CN1C(=O)c2ccccc2C1=O
+,0.0,,,0.0,,,,,,,,,,,,,CID3244622,CCOc1ccccc1NC(=O)CCSc1nc2nnc(C)c-2c(N)n1-c1ccccc1Cl
+0.0,,,0.0,,,0.0,,,,,,,,0.0,,,CID1246224,COc1ccccc1C(=O)N1CCN(CCc2ccccc2)CC1
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID654910,Cc1cccc(OCc2nnc(SCC(=O)Nc3sc(C)c(C)c3C#N)n2C)c1
+,,,,,,,,0.0,,,,,,,,,CID886798,Cc1ccc(C)n1-c1ccc(N2CCOCC2)c(Br)c1
+,,,,,,,,,,,,,,0.0,,,CID2376121,O=C(CCc1nc2ccccc2s1)OCc1ccccc1F
+,,,,,,,,,0.0,,,,,,,,CID177746,O=C1CC(c2ccccc2)=Nc2ccccc2N1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID2999034,O=C(OCc1cc(=O)n2cc(Br)ccc2n1)C1COc2ccccc2O1
+,,,,,,,,,,0.0,,,,,,,CID1226680,Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1
+,,,,,,,,,,,,0.0,,,,,CID3242693,COc1ccc(C2C(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3C(=O)N2C)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID4159792,CCn1ncc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)c1C
+,0.0,,,,,,,,,,,,,,,,CID704380,O=C(c1cccnc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,CID2771105,O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID519632,O=C1C2(c3ccccc3)CN3CN(C2)CC1(c1ccccc1)C3
+,,,,,,,,,,,,,,0.0,,,CID1941916,CC(C)Cc1nc2oc3c(=O)nc[nH]c3c2c2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID1840505,COc1ccc(-c2csc(NC(=O)CSc3nc(SC)ns3)n2)cc1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3242885,Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2c1c(=O)oc1ccccc12
+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID656139,Cc1ccc(-c2nnn(CC(=O)N(c3cccc(O)c3)C(C(=O)NC(C)(C)C)c3cccs3)n2)o1
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+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3241932,Cn1c(=O)n(CC(=O)NC2CCCCC2)c(=O)c2ccccc21
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+,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,CID967552,CS(=O)(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID4392156,CN1CCC(=NNC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4199403,COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(CCCc3ccc(OC)c(C)c3)o2)c1
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+,0.0,,0.0,,,,,0.0,,,,,,,0.0,,CID866396,COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(=S)[nH]c2c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1490848,CCOc1ccc(Br)cc1/C=N/NC(=O)c1ccncc1
+,,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID1355640,CCN1C(=O)c2cccc3c(NC(=O)c4ccc(S(=O)(=O)N5CCOCC5)cc4)ccc1c23
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+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID649284,COc1ccccc1NC1SC(=O)N(c2ccccc2)C1=O
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+,,,,,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID652009,Cc1ccc(C(O)c2nccn2C)o1
+,,,,,,,,,0.0,,,,,,,,CID1352540,CS(=O)(=O)N(CC(=O)Nc1cc(Cl)ccc1Cl)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID741178,Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
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+,0.0,,,,,,0.0,,,,,,,,,,CID5044706,Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCO4)c2=O)cc1C
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+,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID2231443,c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccc4c(c3)OCCO4)nn12
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+,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,,CID871711,Cc1cc(SCNC(=O)c2ccccc2)ncn1
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+,,,,0.0,0.0,,,,,,,,,,,,CID2924584,CCCCS(=O)CC(COCc1ccccc1)OC(=O)CSc1nc(C)cc(C)n1
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+,0.0,0.0,,,0.0,,0.0,,,,,,,,,,CID699717,COc1cccc(OCC(=O)N2CCN(C)CC2)c1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID666430,CCC(=O)Nc1ccc2c(c1)nc(CCN1CCN(C)CC1)n2C
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+,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,CID2666714,CC(C)n1nc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c2ccccc2c1=O
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+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID239679,O=C(NCc1ccco1)Nc1ccccc1Cl
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+,,0.0,,,,,0.0,,,,,,,,,,CID2998015,O=C(OCn1nnc2ccccc2c1=O)C1COc2ccccc2O1
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+,,,,,,,,,,,,,0.0,,,,CID1536697,Cc1[nH]c2ccccc2c1C(=O)CSc1ccc(Cl)cc1
+,0.0,,,,0.0,,,,,,,,,0.0,0.0,,CID2514971,Cn1cnnc1SCC(=O)Nc1sc2c(c1C(N)=O)CCC2
+,,,,,,0.0,,,,,,,,,,0.0,CID611765,COC(=O)C(O)(c1c[nH]c2ccccc12)C(F)(F)F
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+,,,,,,,,,,,,,,0.0,,,CID1095341,COc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID5295166,CCC(=O)c1ccc(OCC(O)Cn2nnc3ccccc32)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID5308710,CCOC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID666006,c1ccc2oc(NC3=NCN(CC4CCCO4)CN3)nc2c1
+,,,0.0,,0.0,0.0,,,,,,,,0.0,,,CID647735,Cc1cc(C)cc(NC(=O)CCN2CC(C)OC(C)C2)c1
+,,,,,,,,0.0,,,,,,0.0,,,CID95028,Cn1c(=O)c2c(ncn2Cc2ccccc2)n(C)c1=O
+,,,,,,0.0,,,,,,,,,,,CID654466,O=C(C1CCCCC1)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1
+0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2567609,CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1N
+,,,,,,,,,,,,,,,,0.0,CID3238771,COc1ccc(Cl)cc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21
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+,,,,,0.0,,,0.0,,,,,,,,,CID976183,COc1ccc(-c2noc(-c3ccccc3-c3ccccc3)n2)cc1
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+0.0,,,,0.0,,0.0,,,,,,,,0.0,,,CID1252551,C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1nc(=O)c2ccccc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5210485,CCOc1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1042853,COc1cccc(C(=O)Oc2ccc3c(C)cc(=O)oc3c2C(C)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID4563723,CC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID753335,CC1(C)Cc2nc3sc4c(=O)nc[nH]c4c3cc2CS1
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+,,,,0.0,,,,,,,,,,,,,CID2336889,O=C(CSCc1ccco1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
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+,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,,,CID665349,O=C(Nc1ccccc1C(=O)NCc1ccco1)NC1CCCCC1
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+,,,,,,,,,,0.0,,,0.0,0.0,,,CID654624,CCCCOc1ccc(-c2nnn(C(C)(C)C(=O)OC)n2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID947463,CC(=O)c1c(OC(=O)c2ccccc2)c2ccccc2n1C
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+,0.0,,,,,0.0,,,,,0.0,,,,,,CID3237537,COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C(N)=O)c1C
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+,,,,,0.0,,,,0.0,,,,,,,,CID3632441,CCC(C)NC(=O)Cc1cn(C)c2ccccc12
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID742643,Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(Cl)c2)n1
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+,,,,,,,,,,,,,0.0,,,,CID1479633,Cc1oncc1-c1csc(-c2ccccc2Cl)n1
+,,,,,,,,,,,,,0.0,,,,CID2166162,Cc1cccc(NC(=O)c2ccc(COc3ccc4ccccc4c3)o2)n1
+0.0,,,0.0,,,,,,,,,,,,,,CID3243398,O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCc1ccco1
+,0.0,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID2679202,Cc1ccc2c(CC(=O)Nc3nc(C)cs3)coc2c1
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID659856,C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)cc1
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+0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,CID666917,CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1
+,,,,,0.0,,,,,,,,,,,,CID1481362,COc1ccc(C(=O)/C=C/N(C)C)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1507028,Clc1cccc(OCc2nc(-c3ccncc3)no2)c1
+,,,,,,,,,,,0.0,,,,,,CID1486937,Cc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1
+0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID2079903,CC(C)CN(C(=O)c1ccc(=O)n(C)n1)c1nc2ccccc2s1
+,,,,,,,,,0.0,,0.0,,,,,,CID657762,COc1ccc(CCCNC(=O)CC#N)cc1OC
+,,,,0.0,,,,,,,,,,,,,CID3245016,COc1ccc(-c2cc(C(F)(F)F)nc(NC3CCCC3)n2)cc1OC
+,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,CID2957284,CCCCC(=O)Nc1ccc(C(=O)N2CCCC(C(=O)OCC)C2)cc1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID2998606,CC(=O)N1CCN(c2ccc(Oc3nc(-c4ccccc4)nc4ccccc34)cc2)CC1
+,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,CID654773,O=C1CCCC2=C1C(Cc1ccccc1)C1=C(CCCC1=O)O2
+,,,,,,,,0.0,,,,,,,,,CID5811539,CC1=C/C(=C2/C=C(C(F)(F)C(F)F)NC(c3ccccc3)=N2)C(=O)C=C1
+,,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID3239908,COc1ccc(-c2nc(CSCC(=O)NCC3CCCO3)c(C)o2)cc1OC
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+,,,,,,,,,0.0,,,,,,,,CID3178566,CCOC(=O)CNc1c(-c2ccc(OC)cc2)nc2ccc(Cl)cn12
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID5310764,NS(=O)(=O)c1ccc(NC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID875637,CC(C)CNC(=O)CSc1ccc(Cl)cc1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID804048,O=c1cc(N2CCOCC2)c2ccccc2o1
+,,,,,0.0,,0.0,,,,,,,,,,CID697699,Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)c(C)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID976199,c1ncn(CCOc2ccc3c(c2)CCC3)n1
+,,,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,CID2998598,CC/N=C1/SC(CC(=O)Nc2ccc(C)cc2)C(=O)N1CC
+,,,,,0.0,,,,,,,,,,,,CID2261640,CCOc1cc(OCC)cc(C(=O)Nc2ccc(C)cc2)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID4694916,COc1cccc(-c2nnc(NC(=O)c3ccccc3Br)o2)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID666866,O=C(CN1CCN(c2ccccn2)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
+,,0.0,,,,,,,0.0,0.0,,0.0,,,,,CID2928086,c1cn(CCCNc2ncnc3sc4c(c23)CCC4)cn1
+0.0,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,CID830275,COc1ccc2c(c1)C(=O)N(c1ccccc1OC)C(=O)C2(C)C
+,,,,,,,,0.0,,,,,0.0,,,,CID818150,O=Cc1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
+,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,CID1045737,CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccc(C)cc1
+,0.0,,,,,,,,0.0,,0.0,,,,,0.0,CID2161627,CCSc1nnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1
+,,,,,,,,,,,,,,,,0.0,CID3236646,O=S(=O)(NCCOCC(F)(F)C(F)F)c1ccc2oc3ccccc3c2c1
+,,,,,,,0.0,,,,,,,,,,CID5309161,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID1281369,COc1ccc(-c2c(C#N)c(SCc3c(C)noc3C)nc3c2C(=O)CC(C)(C)C3)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID5308284,CC(NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID3119974,CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC
+,0.0,,,,,0.0,,,,,,,,0.0,,,CID2997869,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)CNC(=O)C2CCCCC2)c1C
+,,,,,,,,,,,,,,0.0,0.0,,CID666122,O=C(O)CCc1nc(-c2ccc(Cl)cc2)no1
+,,,,,,,,,,0.0,0.0,,,,,,CID1443666,CCc1nnc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)s1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,,CID807549,Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)cc1C
+,,0.0,,,,,,0.0,0.0,,0.0,,,,,,CID2892585,COC(=O)c1ccccc1NC(NC(=O)c1ccco1)C(=O)c1ccc(C)cc1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2727852,O=C1Nc2ccc(Br)cc2C1(O)Cc1ccncc1
+0.0,,,,,,0.0,,,0.0,,,0.0,,,,,CID655634,CCn1nnnc1SCC(=O)NCc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2057446,O=C(NCCCCc1ccccc1)c1ccccc1Cl
+,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,CID1942358,Cc1ccc(NC(=O)N2CCC(C(N)=O)CC2)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID955825,Cc1ccccc1C(=O)Nc1ccc(Br)c(C)n1
+,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID656017,CC(C)C(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID3244654,CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc2c1CCN(C)C2
+,,,,,0.0,,,,,,,,,,,,CID3157246,CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID662990,Cc1cccc(OC(C)C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1C
+,,,,,0.0,,0.0,0.0,,,,,,0.0,,,CID665271,COc1cccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
+,,,,,,,,,,0.0,,,,,,,CID9551512,CCCNC(=O)c1cc(C)no1
+,,0.0,,,0.0,,,,,,,,,,,,CID1824787,Cn1c(NCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2
+0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,CID2109033,Cc1cccc(OCCSc2nnc(-c3ccoc3C)n2C)c1
+0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,,,CID2402580,CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccc(C#N)cc3)[nH]c2c1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID3240389,O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID5742526,COC(=O)c1ccc(C2C3=C(N=C4N=NNN42)c2ccccc2OC3)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID659095,O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccccc1)c1ccoc1
+0.0,,,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,CID665102,CCn1c(COc2ccccc2)nnc1SCC(=O)C(C)(C)C
+,,,,,0.0,,,,,0.0,,,,,,,CID9550449,COc1cc(C2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)ccc1O
+,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,,,CID650240,O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID9548403,COCCN1C(=O)NC(c2ccccc2)C(C(=O)OC)=C1C
+,,,,,,,,,,,,,0.0,,,,CID6267705,C/C(NNC(=O)c1cc(-c2cccnc2)nc2ccccc12)=C1/C=CC=CC1=O
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+,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID663928,O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccccc12
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID3240574,CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCCOC)cn2C
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+,,0.0,,,,,,,,,,0.0,,,,,CID2900028,CCOC(=O)N1CCN(C(=O)C2COc3ccccc3O2)CC1
+,,,0.0,,,0.0,,,,,,0.0,,,0.0,,CID2853308,Cc1cc(Cl)cc(C)c1OCCCCn1ccnc1
+,,,,,,,,0.0,,,0.0,,,,,,CID851173,CCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID2845581,Cc1cccc(N2CCN(CCc3ccccc3)CC2)c1C
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+,0.0,,,,,,,,,,,,,,0.0,0.0,CID665095,Cc1nc2c3c4c(sc3n3c(SCC(=O)NCc5ccco5)nnc3n2n1)COC(C)(C)C4
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+1.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID653892,Cc1ccnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1
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+,,,,,,,,,,,,,,0.0,,,CID1350575,COC(=O)c1cc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc(C(=O)OC)c1
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+,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,,CID2056050,CCOC(=O)CN(C(=O)c1ccccc1)c1ccccc1C
+,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,CID655742,CC(C)C(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12
+0.0,,,,,,,0.0,,,,,,,,,,CID3242751,Cc1cc(C)cc(Nc2ccc(C(=O)O)cc2N)c1
+,,,,,,,,,0.0,,,,,,,,CID3206872,CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID974193,CCOC(=O)c1c(C)nc2c(c1-c1ccccc1)C(=O)c1ccccc1-2
+,,0.0,,,0.0,1.0,0.0,,,,,,,,,,CID2998485,COCCn1c(C)cc(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c1C
+,,,,0.0,,,,0.0,,,,,,,,,CID2125120,Cc1nc(SCn2nnc3ccccc3c2=O)nc(C)c1C
+,,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,CID2969065,O=C1N2CCCc3cccc(c32)C12Nc1ccccc1S2
+,,,,,,,,,,,,,,0.0,,,CID16191142,OCCC1CN(Cc2cc3c(cc2Cl)OCO3)CCN1C1CCCC1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID3236513,O=C1c2cccnc2C(=O)N1Cc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID11958456,CCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1
+0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,CID2125846,O=C(CN1CC=C(c2ccccc2)CC1)NC(=O)NCc1ccco1
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2343141,O=C(OCCN(CCOC(=O)c1ccncc1)S(=O)(=O)c1cccs1)c1ccncc1
+0.0,0.0,,,,,,,,,,,,,,,,CID3242532,Cn1cccc1CNC(=O)Nc1ccc(Cl)c(Cl)c1
+,,0.0,,,,0.0,0.0,0.0,,,,,,,,0.0,CID3236499,CCc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1918543,O=C1N=C(NCc2ccccc2)S/C1=C/c1ccc(O)cc1
+,,,,0.0,,,,,,,,,,,,,CID660030,C/C(NC(=O)c1cccs1)=C1\C(=O)CC2C1C2(C)C
+,,,0.0,,0.0,,0.0,,,,,,,,0.0,,CID3245880,CN(C)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccccc2)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3239265,CCC(Sc1nc2ccccc2c(=O)n1CC1CCCO1)C(=O)NCc1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID4317583,Cc1cc(N2CC(C)OC(C)C2)nc(C(C)C)n1
+,,,,,,,,,,,,,0.0,,,,CID950083,COc1ccccc1NC(=O)c1cc(C)nc2ccccc12
+,,0.0,,,,,,,,,,,,,,0.0,CID644946,Cc1ccc(-c2noc(C3CCCN(C(=O)c4c(F)cccc4F)C3)n2)cc1
+,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,CID1505949,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21
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+,,,,,,0.0,,,,,,,0.0,,,,CID729554,CCC(CC)c1nc(NCCC(=O)O)c2ccccc2n1
+,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,CID1250695,O=C1c2ccccc2C(=O)N1c1n[nH]c(CCc2ccccc2)n1
+,0.0,,,,,,0.0,,,,,,,,,,CID652064,COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2cccnc2)ccc1O
+0.0,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,CID873512,CC(=O)c1c(N2CCCCC2)nc(=S)n(-c2ccccc2)c1C
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID5307597,CCn1c(=O)c2cc(C(=O)Nc3cc(C)on3)sc2c2ccccc21
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+,0.0,,,,,,,,,,,,,,0.0,,CID3246802,CC1=C(C)CC(C(=O)Nc2cccc(Cl)c2)C(C(=O)O)C1
+,,,,,,,,,,,,,,0.0,,,CID1297481,COc1ccc(NC(=O)CCC(=O)OCc2ccc(Br)cc2)cc1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID881720,CCc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3238946,COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)no2)cc1OC
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+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3220423,CCCCC(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
+,,,,,,0.0,,,,,,,,,,0.0,CID889815,O=S(=O)(Nc1cccnc1)c1ccc(Cl)c(C(F)(F)F)c1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID966831,CS(=O)(=O)N(CC(N)=O)c1ccc2c(c1)OCO2
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+0.0,,,,,,,,,,0.0,,,,,0.0,,CID663283,CCCC(C)C1(CC)C(=O)N=C(Nc2ccccc2OC)NC1=O
+,,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,CID662757,Cc1ccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)cc1
+0.0,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,0.0,CID655667,O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1181201,Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4cccnc4)ccc3c2=O)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2966319,Brc1ccccc1OCCCn1cnc2ccccc21
+,,0.0,,,,,0.0,,,,,,,,,,CID3239529,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1
+,,,,,,,0.0,,,,,,0.0,0.0,,,CID5308175,CN1C(=O)CS(=O)c2ccc(C(=O)NCCC3=CCCCC3)cc21
+,,,,,,,,,,,,,0.0,,,,CID852871,O=C(Nc1cc2c(cc1Br)OCCO2)c1cccs1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,,CID2420689,N#Cc1ccc(OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2765698,COc1ccc(C2CC2/C(C)=N/OC(=O)c2cccs2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2128234,COc1ccc2c(CC(=O)OCC(=O)Nc3ccc4c(c3)OCO4)coc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID739027,Cc1ccc2nc(NC(=S)NC(=O)c3cccs3)sc2c1
+,,,,,,,,,,,0.0,0.0,,0.0,0.0,,CID658992,C=C(C)CSc1nncn1/N=C/c1ccc(OC)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID1252423,COc1ccc(OC)c(NC(=O)Cc2coc3ccc(C)cc23)c1
+,,,,,,,,,0.0,,,,,,,,CID652213,O=C(C1CCN(c2nnnn2-c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID3236451,COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1
+,,0.0,,,,,,,,,,,0.0,0.0,,,CID749960,Cc1cc(C)n(C(=O)CCN2C(=O)c3ccccc3C2=O)n1
+,,,,,,,,0.0,,,,,,0.0,,,CID2862774,Cc1sc(NC(=O)C2CC=CCC2C(=O)O)c(C(=O)OC(C)C)c1C
+,,,,,,,,,,,,,,0.0,,,CID3997085,C/C(=N\OCC(=O)Nc1c(C)cc(C)cc1C)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID1214033,CC(C)CCOc1ncnc2c1sc1nc3c(cc12)CSC(C)(C)C3
+,,,,,,,,,,,,,,0.0,,,CID2378844,CC(C)c1ccccc1NC(=O)COC(=O)COc1ccccc1[N+](=O)[O-]
+,,,,,0.0,,,,0.0,,,,,,0.0,,CID5308463,CC(C)(CC(=O)O)Cc1nc(-c2ccc(Cl)cc2)no1
+,,,,,0.0,,,,,,,,,,,,CID768959,CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID866269,CCn1cnc2cc(NCc3ccc(C)cc3)ccc21
+,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,CID340151,O=C1CCCC2=C1C(c1ccccc1)C1=C(CCCC1=O)O2
+0.0,,,,,,,0.0,,,,,,,,,,CID666193,CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccc(OC)c(OC)c2)c1=N
+,,,,,,,,,,,,,,0.0,,,CID842253,CN(C)c1cccc(C(=O)N/N=C/c2ccsc2)c1
+,,,,,,,,,,,,,,0.0,,,CID2291128,COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)OCO3)cc1OC
+,,,,0.0,,,,,,,,,,,0.0,,CID2516753,CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2O1
+,,,,,,,,,,,0.0,,0.0,,,,CID2399629,Cc1cc2occ(CC(=O)Nc3nccs3)c2cc1C(C)C
+,,,,,,,,,0.0,,,,0.0,,,,CID765256,O=C(Nc1cccc(Cl)c1)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2882915,CC(C)CNC(=O)c1cc(C(=O)NCC(C)C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c1
+,,,,0.0,,,0.0,,,,,0.0,,,0.0,,CID2941178,CCn1c(C)c(C(C)=O)c(N2CCN(c3ccccn3)CC2)nc1=S
+,,,,,,,,0.0,,,,,,,,,CID893927,Cc1cc(NC(=O)c2ccc3c(c2)C(=O)N(C)C3=O)no1
+,,,,,,,,,,,,,,0.0,,,CID5174937,O=C1C(=C2NC(C(=O)O)C3C(=O)N(c4ccccc4)C(=O)C23)C(=O)c2ccccc21
+,,,,,,,,,,,,,,,0.0,0.0,CID721373,O=C(Nc1nncs1)c1ccccc1Br
+,,,,,,,,,,,0.0,,,,,,CID3731609,CCCCn1c([O-])c(-[n+]2ccccc2)c(=O)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1945541,Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)N(C)CCO
+,,,,,,,,0.0,,0.0,,,,,,,CID564006,C=CCNc1nc(NCc2ccccc2)c(C#N)c2c1CN(C)CC2
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID3148877,CCCCCn1c(SCC(=O)OC)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID3158094,N#Cc1c(NC(=O)C2CC(c3ccccc3Cl)=NO2)sc2c1CCC2
+,,,,,,,,,,,,,0.0,,,,CID5031940,CCOc1ccc(CC(NCCc2ccccc2)=C2C(=O)CC(C)(C)CC2=O)cc1OCC
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID727520,O=C(Cc1nc2ccccc2s1)c1ccc(O)cc1O
+0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,CID647930,CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2901850,Cc1nc(NC2=NC(C(=O)Nc3ccc(Cl)cc3)CC(=O)N2)nc2ccccc12
+,,,0.0,,,,,,,,0.0,,,,,,CID649895,O=C(COc1ccccc1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID1316259,O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1
+,,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID3241634,CCOC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccc(OC)cc3)C(=O)N12
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID3240063,COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)c(OC)c1
+0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,CID656358,O=C(NC1CCCCC1)C1CCN(c2nccs2)CC1
+,,,,,,,,,,,,,,,0.0,,CID658809,c1ccc(Cn2c(CNc3nc4ccccc4n3CCN3CCOCC3)nc3ccccc32)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID652209,Cn1c2c(c(=O)n(C)c1=O)C(c1cccc(Br)c1)C1C(=O)c3ccccc3C1=N2
+,0.0,0.0,,,,,,,,0.0,,0.0,0.0,,,,CID1261330,Cc1cc(NC(=O)c2cc(-c3ccncc3)nc3c(C)cccc23)no1
+,,,,,,,,0.0,,,,,,,,,CID1542038,CCOC(=O)c1ccc(NC(=O)CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3242645,O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID827716,CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID87163,Cc1nnc(N)nc1C
+,,0.0,,,,,,,0.0,,,,,,,,CID655835,CCCC(c1nnnn1CC(=O)OCC)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,,CID651270,CC(=O)C1=C(O)C(=O)N(c2cc(C(C)(C)C)on2)C1c1ccc(Br)cc1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID3245927,CCCCNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID3244016,O=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1cccnc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID3237034,Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)cc1
+,,,,,,,,,,,,,0.0,,,,CID1048555,Cc1ccc(C(C)C)cc1OCC(=O)N/N=C/c1ccc2c(c1)OCCO2
+,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,CID653171,O=C1OCc2ccc(NC(=O)C3CCCCC3)cc21
+,,,,,0.0,,,,,,,,,,,,CID3634492,Cc1ccc(N2C(=O)CC(n3ccnc3)C2=O)cc1C
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID5308268,O=C(NC1CCCC1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,CID3236343,O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,,,,,,,,,,,0.0,,CID4549137,CCN1CCN(C(c2ccccc2)c2sc3nc(C)nn3c2O)CC1
+,0.0,,,,,,,,,,,0.0,,,,,CID3240780,CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NC(C)C)c(C)c2c1
+,,,,,0.0,,,,,,,,,,,,CID11957178,O=C(NC1CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID646921,CC(C)(C)NC(=O)C(c1ccco1)N(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID3240805,O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCCN1CCCC1=O
+,,,,,0.0,,,,,,,,,,,,CID1482492,CNC(=S)NNC(=O)c1sccc1OCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2955964,O=C(CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID2928726,CCOC(=O)N1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,CID1520657,CCOC(=O)c1c(C(=O)OCC)c(C)n(N2C(=O)CSC2=S)c1C
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID3237842,CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID3243616,Cc1cc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)n[nH]1
+,,,,,,0.0,,,,,,,,,,,CID661948,Cc1nn(CC(=O)NCCN2CCOCC2)c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2669729,COC(=O)c1ccc(CSc2n[nH]c(-c3ccccc3)n2)o1
+,,,,,,,,0.0,,,,,,,,,CID5333390,Cc1oc(N/C=C2\C=CC=CC2=O)c(C#N)c1C
+0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID2062367,CCN(CC)c1ccc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1841561,CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2
+,,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,CID973159,Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)O)cc2)cc1
+0.0,,0.0,,,,,,,,,,,,0.0,,,CID660062,Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4
+,,,,,,,,,,,,,,0.0,,,CID1228916,CCOC(=O)c1nnn(-c2ccccc2)c1C
+,,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID702830,Cc1nn(CC(=O)Nc2ccccc2)c(=O)c2ccccc12
+,,,,,,,,,,,,,,,,0.0,CID662643,CC(C)(C)C1=Nn2c(nnc2-c2ccccn2)SC1
+,,,,,,,,0.0,,,,,0.0,,,,CID2449572,Cn1nc(C(=O)N2CCc3ccccc3C2)c2ccccc2c1=O
+0.0,,,0.0,,,,,,,,,,,,,,CID5307456,COc1cccc(-c2nc(CS(=O)CC(=O)NCc3ccccc3Cl)c(C)o2)c1
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+,,,,,,,,,,,0.0,,,,,,CID2271200,O=C(Nc1cccc(Br)c1)c1ccc(CSc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2272916,COC(=O)C(C(=O)OC)=C(/C=C/N(C)C)N(C)C
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+,,,,,,,,,,,,,,0.0,,,CID2546309,O=C(NCCc1c[nH]c2ccccc12)c1cncc(Br)c1
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+,0.0,,,,,0.0,,,,,,,,,,,CID649010,CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccn2)cc1
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+,,0.0,,,,,,,,,,,,,,,CID5685112,N#CC(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)=C1Nc2ccccc2N1
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+,,,,,,,,,,,0.0,,,,,,CID1899390,CCN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
+,,,,,,,,,0.0,,,,,,,0.0,CID653820,CCC1(C(=O)OC)NC(c2cccc(F)c2)C2C(=O)N(C)C(=O)C21
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+,0.0,,0.0,,,,,,0.0,,,,,,,,CID649971,CNc1nnc(-c2ccncc2)s1
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+,,,,,0.0,,,,,,,,,,,,CID3774151,CCCN(CCC)C(=O)C(CC)c1ccccc1
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID2855321,COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID655390,Cc1cc(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)no1
+,,,,,,,,,,0.0,,,,,,,CID5403383,O=C1c2ccccc2NC2=NCCCCN12
+0.0,,,,0.0,,0.0,,,0.0,,,,,,,,CID3235747,Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc4C3)cc2s1
+,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,CID2507482,Cc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1
+,,,,,,,,,0.0,,,,0.0,,,,CID628213,Cc1nc(Oc2ccc(Cl)cc2)c2oc3ccccc3c2n1
+,,,,,0.0,,,,,,,,,,,,CID5767547,N/C(=N\OC(=O)c1ccccc1Cl)c1ccccn1
+,0.0,,,,,0.0,,,,,,,,,,,CID2918615,CC(NC(=O)c1ccco1)c1ccc2c(c1)OCCO2
+0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,CID666651,Cc1cccc(S(=O)(=O)c2c(N)n(Cc3ccco3)c3nc4ccccc4nc23)c1
+,,,,,,,,,,,,,,,0.0,,CID598633,O=c1cc(-c2ccc(Cl)c(Cl)c2)[nH][nH]1
+,,,,,0.0,,,,,,,,,,,,CID5347180,Cc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1
+0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,CID654810,Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)c(C)c1
+,,,0.0,,,,,,,,,,,,,,CID645735,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(N)=O)CC1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID1300253,Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)sc1C
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID700626,Cn1ccnc1SC(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID1981,COc1ccc2c(c1)c(CC(=O)OCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5309592,CN1CCN(c2ccccc2NC(=O)C(Cc2ccccc2)n2cccc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID3239672,CCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)C2c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID1204365,C/C(=N\NC(=O)c1ccn[nH]1)c1cn(C)nc1C
+,,,,,0.0,,,,,,,,,,,,CID669124,COC(=O)CNC(=O)c1ccccc1C
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID1728524,CCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccccc1
+,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,CID663121,Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccco1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID692916,CC(NCCN1CCNCC1)=C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,,,,0.0,,,,,,CID750751,Cc1ccc(Nc2nc(C)cc(C)c2C(N)=O)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307752,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCCc1ccccc1
+0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID2866107,Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccco2)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID942283,Cc1ccc(/C=N/NC(=O)Cn2nc(C)c(Br)c2C)o1
+,,,,,,,,,,,,0.0,,,,,CID651734,O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2845053,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)C2)cc1[N+](=O)[O-]
+,0.0,,,,,,,,,,,,,,,,CID1251073,NC(=O)c1ccc(-n2nnnc2Oc2ccccc2C(=O)N2CCOCC2)cc1
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID667202,COc1ccc(N2CCN(CCNC(=O)c3nnc(Cc4c(F)cccc4Cl)o3)CC2)cc1
+0.0,,,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,CID2160234,Cc1cccc(CC(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CS(=O)C3)c1
+,,,,,,,,0.0,,,,,,,,,CID2056919,C/C(=C\c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,,,,0.0,CID2961837,COC(=O)C(O)(CC(=O)Nc1cccc(SC)c1)C(F)(F)F
+,,0.0,,,,,,,,,0.0,,0.0,,,,CID768857,COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2F)c1
+,0.0,,,,,,,,,,,0.0,,0.0,,0.0,CID3243253,O=C(Nc1ccc(Cl)cn1)Nc1cccs1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID900804,CCOc1c(Br)cc(C(N)=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID704167,O=C(COc1ccccc1)NNC1=NS(=O)(=O)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID1893291,C=CCNc1sc(C(=O)c2ccc(Br)s2)c(N)c1C#N
+,,,0.0,,,,0.0,,,,,,,,,,CID659209,Cc1cc2c(c(N)n1)c(=O)oc1ccccc12
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID1891813,CCCCN(CCCC)Cc1ccc(N)cc1
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,CID2117005,O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)NCC1CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID5310205,COC(=O)c1ccsc1NC(=O)CN1C(=O)CCC1=O
+,,,,,,,,,,,,,0.0,,,,CID2163411,CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)sc(C(N)=O)c1C
+,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,CID664213,O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID3241092,COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C\c3cnn(C)c3C)c(=O)n12
+,,,,,,,,,,,,,,0.0,,,CID1080974,C/C=C/C(=O)Nc1nnc(C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID2382757,CCCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1287907,Cc1nn(C(C)(C)C)c(OC(=O)c2cccs2)c1Sc1ccccc1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID747462,COC(=O)c1cn(C(=O)OC)c2ccccc12
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID2622866,O=C(CSc1nnc2ccccn12)Nc1ccccc1C(=O)NC1CC1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID650432,CC(C)OC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2
+,,,,,,,,0.0,,,,,,,,,CID2928780,CN(C)C(=O)Oc1cccc(NC(=O)N2CCOCC2)c1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID4668359,O=C(CN1CCOc2ccccc21)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4048817,COC(=O)c1cc2occc2n1Cc1ccc(Cl)cc1
+,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,CID2858493,CCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1
+,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,CID3411758,COc1ccccc1C1NC(=O)CS1
+,,,,,,0.0,,,,,,,,,,,CID655332,CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)N2CCOCC2)C1=O
+0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID665097,CCOc1ccccc1C(=O)N(C)Cc1cc2ccccc2[nH]c1=O
+,,,,,,,0.0,,,,0.0,,,,,,CID646819,Cc1ccc2c(N)c(C)ccc2c1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID1093792,Cc1ccc(-c2cc(C(=O)NCCN3CCOCC3)no2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3192105,CCN1CCCC1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(F)cc1
+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID978217,COC(=O)c1ccccc1NC(=O)NCc1ccccn1
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,CID2998754,Cc1ccc(N2CC(C(=O)NCc3cccs3)CC2=O)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID752359,Cc1ccc(-c2noc(CNc3ccccc3)n2)cc1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID700317,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)NC1CC1
+,,,,,0.0,,,,,,,,,,,,CID5566246,CCOC(=S)N/C(=N\S(=O)(=O)c1ccc(C)cc1)c1ccccc1
+0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,CID707381,O=C(Cc1ccccc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,,,0.0,,,0.0,,,,,,,,0.0,,0.0,CID5309638,COCCCNC(=O)Cn1ncc2ccsc2c1=O
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+,,,,0.0,,,,,,,,,,,,0.0,CID3240127,O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2361995,Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID658405,COCCNc1nc2c(c(=O)n(Cc3ccc(OC)cc3)c(=O)n2C)n1C
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+,0.0,,,0.0,,,,,,,,,,,,,CID4117902,N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1
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+,,,,,,,,,0.0,,,,,,,,CID859370,NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2
+,0.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,CID649714,CCC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1
+,,,,,,,,,,,,,,0.0,,,CID893041,S=C(NC1CCCC1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID974497,O=C(c1cc2cc(Br)ccc2oc1=O)N1CCCC1
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+,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID753067,O=C(NCCN1CCN(C(=O)c2cccs2)CC1)c1cccs1
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+,,,,,,,,,,,,,,0.0,,,CID974724,COc1ccc(Cc2n[nH]c(=S)n2Cc2ccccc2)cc1Cl
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+,,0.0,,,,,,,,,,0.0,,,,,CID3237331,C=CCn1c2ccccc2c2nnc(SCC(=O)NC(C(=O)OC)C(C)C)nc21
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+,,0.0,,,,,,,,0.0,,0.0,,,,,CID5771717,O=C1C(=O)N(CCN2CCOCC2)C(c2ccncc2)/C1=C(/O)c1ccc2c(c1)OCO2
+,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID3238378,CC1CCN(CCNC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)CC1
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+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID3238737,O=C(NCCN1CCOCC1)C1CCC(=O)N1Cc1ccccc1Cl
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+,0.0,,,0.0,,,,,,,,,,,,,CID2998429,O=C(CN1C(=O)NC2(CCCc3ccccc32)C1=O)N1CCc2ccccc2C1
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+,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,,CID3239105,CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2)CC1
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+,,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,CID828011,COc1cc(CC(=O)O)c(C(C)=O)cc1OC
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+,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,CID664536,Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)OC(C)C3)c2)cs1
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID1246450,Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)cs1
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID2226306,CC(=O)NCCOc1cccc2ccccc12
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID3238739,CC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,,0.0,,,,,,,,,CID977170,COc1ccc(S(=O)(=O)n2nc(C)cc2C)c(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID717814,O=C(O)/C=C/c1cccc(OCc2ccccc2)c1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID719213,CCOC(=O)CSc1nc(=O)c2ccccc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5309627,Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3/C=C/N(C)C)C2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID70161,COc1cc2ccccc2cc1C(=O)O
+,,,,,,,,,0.0,,,0.0,,,,,CID2876149,O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccccc1
+,0.0,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,,CID1234753,COC(=O)c1nnn(Cc2ccccc2)c1N
+,,,,,,,,,,,,,,0.0,,,CID1913927,COC(=O)/C=C1/N=C(Nc2nc(C)cc(C)n2)N(c2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1175951,Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)cc1
+,,,,,,,,,,0.0,0.0,,,,0.0,0.0,CID976873,Cc1cc(C)n(-c2cc(C)c(C)cc2Br)n1
+,,0.0,,,,,,,,,,,0.0,,,,CID3240364,CCOC(=O)CNC(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,,0.0,,,CID962676,Cc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
+,,,0.0,,,,,,,0.0,,,,,,,CID5739547,Cc1cc(C)nc(SCC2=NC(N)=N/C(=C3/C=CC=CC3=O)N2)n1
+,,,,,,,,,,,,,,0.0,,,CID1085170,Cc1nc2ccc(NC(=O)c3ccco3)cc2s1
+,,,,,,,,,,,,,,,0.0,,CID2217903,Cc1cc(F)c(F)c(C(=O)NC2CC2)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID1787417,CCCOC(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2122665,COc1ccc(C(=O)N/N=C/c2sc(N3CCOCC3)nc2-c2ccccc2)cc1OC
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID3238082,CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID3243670,CCOC(=O)C1CCN(c2c(NCCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
+,,,,,,,0.0,,,0.0,,,,,,,CID5307600,CCN(CCN(C)C)C(=O)Cn1ncc2c1-c1cc(C)ccc1OC2
+,,,,,0.0,,,,,,0.0,,,,,,CID2871911,O=C1C(Cc2ccccc2)NC(=S)N1c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2455839,Cc1cc(NC(=O)CSc2nnnn2C)n(-c2ccccc2)n1
+,,,0.0,,0.0,,,,,,,,,,,,CID3241103,CCS(=O)(=O)NCCc1csc(C)n1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID2583589,O=C(Cc1ccccc1)Nc1nc2ccccc2[nH]1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,,CID1119291,O=C(CN1CCOCC1)Nc1c(-c2ccccc2)c2cc(Br)ccc2[nH]c1=O
+0.0,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,CID1053382,Cc1ccc(-n2nc(-c3ccco3)cc2C(=O)NCc2cccnc2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3238931,CCN(CC)CCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N2CCc3ccccc3C12
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3240399,Cn1cnnc1SCC(=O)OCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,,0.0,,CID667006,Nc1nc(CN2CCN(c3ccccc3F)CC2)nc(Nc2ccccc2)n1
+,,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID3244684,CCOc1ccccc1CNC(=O)C1CCC(=O)N1C(C)C
+,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,CID799014,C/C(=C\C(=O)c1ccc(C)cc1)Nc1cccc(O)c1
+,,,,,,,,,,,,,0.0,,,,CID5376891,O=c1c(-c2ccccc2)coc2cc(O)ccc12
+,,,,,,,0.0,0.0,,,,,,0.0,0.0,,CID2641994,Cc1cc(C(=O)OCC(=O)NCCc2ccccc2)c(C)o1
+,,,,,0.0,,,,,,,,,0.0,,,CID653434,CC1(C)CC(=O)C=C(Nc2ccccc2NC(=O)c2cnccn2)C1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2231605,C=CCn1c(Cc2ccc(OC)cc2)nnc1SCC(N)=O
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,CID663123,CCn1c(SCc2ccc(C)cc2)nnc1-c1cnccn1
+,,0.0,,,,,,,,,,,,,,,CID801109,c1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID4287451,CN(C)c1ccc(/N=N/c2ccccc2C(=O)OCC(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID880882,COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1OC
+,0.0,,,,,,,,0.0,,,,,,,,CID5739939,CCc1c(C)c2cc(Cl)c(O)c(CN(C)C)c2oc1=O
+,,,,,,,,,,,,,,0.0,,,CID3631492,Cc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])n1
+,,,,,,,0.0,,,,,0.0,,,,,CID5742518,CCC1=C/C(=C(\Cc2ccc3ccccc3n2)NO)C(=O)C=C1O
+,,,,,0.0,,,,,0.0,,,,,,,CID3239093,O=C1CCCC2=C1C(c1ccncc1)c1c([nH]c(SCc3ccccc3)nc1=O)N2
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID648241,CCc1nnc(NC(=O)CSc2nnc(Cc3ccc(OC)cc3)o2)s1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID3241434,COc1ccc2[nH]c3c(=O)n(CCCCC(=O)N4CCCC4)c(=S)[nH]c3c2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID955833,Cc1nn(-c2ccccc2[N+](=O)[O-])c(=O)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2998207,O=S(=O)(c1ccc(Cl)cc1)N1CCSC1c1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID6407173,CC(=O)OCCCN1c2ccccc2Nc2nnc(-c3ccccc3)cc21
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID3243691,Cn1c(C(=O)N2CCCc3ccccc32)cc2c(=O)n3ccccc3nc21
+,0.0,0.0,,,,0.0,,0.0,,,,,,,,,CID1090106,CCN(CC)CCn1c(NCc2ccc(OC)cc2)nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID11957144,CCC(=O)N/N=C(\C)CC(=O)Nc1ccc2ccccc2c1
+,,,,,,,,,0.0,,,,,,,,CID955150,O=C(c1ccco1)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
+,0.0,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID3243626,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCCOC(C)C)o1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID987751,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1C(N)=O
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID631208,O=C1CC2CS(=O)(=O)CC2N1c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID832298,Cc1cc(C)c(OCC(=O)Nc2ccccn2)c([N+](=O)[O-])c1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3239957,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCC1COc2ccccc2O1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID3163338,COC(=O)CN1C(=O)COc2ccc(Cl)cc21
+,,,,,,,,,,,0.0,,0.0,,,,CID1483857,Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O
+0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,CID660201,O=c1c2ccccc2nc(COc2ccccc2)n1/N=C/c1ccco1
+0.0,,,,,0.0,0.0,,,,,,,,,,0.0,CID850041,CCOc1cc(S(=O)(=O)NCc2ccccn2)c(C)cc1C
+,,,,,0.0,,,,,,,,,,,,CID9550592,CCOC(=O)N1CCC(n2c(SCC(=O)OCc3ccccc3)nc3ccsc3c2=O)CC1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,CID1258426,COc1cccc(Oc2nc3ncn(Cc4ccccc4)c3c(=O)n2C)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID5307449,COc1ccc(OC)c(C2C(C(=O)Nc3ccc(F)cc3)=C(C)N=C3N=C(CCCO)NN32)c1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID782388,COc1ccc(CN(C)C2CCCCC2)cc1
+0.0,,,0.0,,0.0,,0.0,,,,,,,,,,CID5147646,CCOc1ccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1
+,0.0,,,,,,,,0.0,0.0,,,,,0.0,,CID2939448,COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID2962907,Cc1c(C(=O)O)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID663616,CCN1C(=O)/C(=C/N2CCc3ccccc32)SC1=S
+,,,0.0,,,,,,,,,,,0.0,,,CID3243921,CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID2057307,C=CCSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N
+,,,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,CID1244186,Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)o1
+,,,,,,,,,,0.0,0.0,,,,,,CID151352,Cc1cccc(Oc2ccc(N)cc2)c1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID739188,COc1cc(CO)c(C2(CO)CCCC2)cc1OC
+0.0,,0.0,,,0.0,,,,,,,0.0,,,,,CID888389,CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccnc1
+,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,CID646878,COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1nnc(-c2cccs2)n1C
+,,,,,,,,,,,,,,0.0,,,CID2523069,Cc1cc(Br)ccc1NC(=O)CN1C(=O)CCC1=O
+0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID3586643,CC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1
+,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,CID2000593,COc1ccc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc1OC
+,,,,,0.0,,,,,0.0,,,,,0.0,,CID2861155,COc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2526141,c1ccc(-n2nnnc2Oc2ccc(-c3nnco3)cc2)cc1
+,0.0,,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,CID421162,O=C(Nc1ccccc1-c1ccccc1)c1cnccn1
+,,,,,0.0,,,,,0.0,,,,,,,CID2374066,COc1ccccc1-c1csc(Cc2nnc3n2CCCCC3)n1
+,,,,,0.0,,0.0,,0.0,0.0,,,,,,,CID2997861,CCOC(=O)/C=c1\s/c(=C\c2ccccc2OC)c(=O)n1CC(=O)N1CCOCC1
+0.0,,0.0,,,,0.0,,,,,,,,0.0,,,CID657782,Cc1nc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c(C#N)c2c1COC(C)(C)C2
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID2849314,CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1
+,,,,,,,,,,,,,,0.0,,,CID2431667,COc1cc(/C=C/C(=O)O)ccc1OS(=O)(=O)c1ccc(C)cc1
+,,,,0.0,,,,,,,,,,,,,CID666418,CCCc1cc(C(N)=S)ccn1
+,,,,,,,,0.0,,,,,,,,,CID2843558,O=C(CCC(=O)OCCCC(F)(F)C(F)(F)F)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2395117,COC(=O)c1ccc(OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID645765,COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C(N)=O)CC2)c(OC)c1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID3237745,COc1ccc(C2Oc3ccccc3N2C(C)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID948973,CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1
+,,,,,,,,,,,,0.0,,,0.0,,CID2127766,Cc1cc2oc(=O)cc(COC(=O)c3cccc(N(C)C)c3)c2cc1C
+,,,,,,,,,,,,,0.0,,,,CID1116520,COc1ccc(-c2nc(-c3ccc4c(c3)OCO4)[nH]c2-c2ccc(OC)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID659445,Cc1nnc(SCCC#N)n(CCC#N)c1=O
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID603150,CCOC(=O)CNC(=O)c1ccccc1Br
+,,,,,,,,,0.0,,,,,,,,CID1156602,COc1ccc(NCc2nnc(SCC(=O)NCc3ccccc3)n2-c2ccccc2OC)cc1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID963429,Cc1[nH]c2ccccc2c1C(=O)CSCC(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1435225,COc1cccc(-c2nnc(SCc3ccccn3)n2C)c1
+,,,,,,,,,,,,,0.0,,,,CID5503392,O=C(O)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1
+,,,,,0.0,,0.0,,,,0.0,,,,0.0,,CID604083,Cc1nc(=O)cc(-c2ccccc2)[nH]1
+,,,,0.0,,,,,,,,,,,,,CID2947472,O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc(F)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID665809,Cc1cc(-c2nnc3n2N=C(C(C)(C)C)CS3)n[nH]1
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID2677992,COC(=O)c1ccc(OC(=O)c2ccccn2)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID654339,CCn1c(COc2ccccc2)nnc1SCC(=O)NC1CCCCC1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1007339,COc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID5341585,CCOc1ccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2ccc(C)cc2)cc1
+,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID1086921,CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID1302124,O=C(CCc1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID4564737,O=c1nc(-c2ccccc2F)c2cc(Cl)ccc2[nH]1
+,,0.0,,,,,0.0,,,,,,,,,,CID660050,CCOC(=O)c1sc(C)c2c(=O)n(CC)nnc12
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID602438,COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCN2S(C)(=O)=O
+,,,,,,0.0,,,,0.0,,,,,,,CID644929,COCc1[nH]nc2c1C(c1ccccc1Cl)C(C#N)=C(N)O2
+,,0.0,,,,,,,,,0.0,,,,,,CID645507,CN(C)c1ccc(C(c2nnnn2CCOC(=O)Nc2ccc(Cl)cc2)N2CCOCC2)cc1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID664819,COc1ccc(-c2ccc(-c3noc(-c4ccccc4OC)n3)c(OC)n2)cc1
+,,,,0.0,,,,,,1.0,,,,,0.0,,CID3242940,COc1ccc(CCn2c(SCC(=O)Nc3cc(C)on3)nc3ccsc3c2=O)cc1OC
+,0.0,,0.0,,,,,,,,,,,,,,CID2214529,CC(C)CCSc1nc(N)c(C#N)cc1C#N
+,,,,,,,,,,,,,0.0,0.0,,,CID2443446,O=C(NCc1cccc(Cl)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2302115,COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1131991,CCc1nnc(NC(=O)CSc2nnc(C)n2-c2ccc(C)cc2)s1
+,,,,,,,,0.0,,,,,,,,,CID261502,CCOC(=O)c1cnc2nc[nH]n2c1=O
+,,,,0.0,,,,,,,,,,,,0.0,CID653793,O=C(CN(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID748240,COc1ccc(NC(=O)ON=C2c3ccccc3-c3ccccc32)cc1
+0.0,,,,,,,,,,,,,,,,,CID649248,O=C(NCCCn1ccnc1)Nc1ccc(Cl)c(Cl)c1
+,0.0,,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,CID1492410,CCC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
+0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,,,CID667214,COc1ccc(-c2oc3ncn(CCN4CCOCC4)c(=N)c3c2-c2ccc(OC)cc2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID5307658,Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)nc2n1
+0.0,,,0.0,,0.0,,,,,,,,,,0.0,,CID5307179,CCN(CC)c1ccc(NC(=O)CN2C(=O)CSc3ncccc32)c(C)c1
+,,,,,,,,0.0,,,,,,,,,CID2956907,CS(=O)(=O)N1CCN(C(=O)NC23CC4CC(CC(C4)C2)C3)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID709972,COc1ccc(CC(=O)N2CCNC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID838444,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccs3)cc2c1
+,,,,,,,,,,,0.0,,,,,,CID2172803,CCCOC(=S)Nc1ccccc1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID648445,CC(C)(C)n1nnnc1C(c1cccs1)N1CCCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID1249990,O=c1cc(CSc2nc3ccccc3[nH]2)c2ccccc2[nH]1
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID1264008,COc1ccc(-c2csc(N3CCN(C(=O)c4ccco4)CC3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2906440,CCCCSc1nc(=O)cc(O)n1CC
+,,,,,0.0,,,,,,,,,,,,CID2260886,COc1ccc(N2C(=O)/C(=C\c3ccsc3)SC2=S)cc1
+,,,,,,,,,,,,,,0.0,,,CID593441,O=[N+]([O-])c1ccc(-n2cccn2)c(-c2nn[nH]n2)c1
+,,,,,,,,,,,,,,0.0,0.0,,CID660557,CCCCOC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,CID2559955,CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)n[nH]c1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID869759,CC(=O)Oc1ccc(C)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID548915,OCC1(C2=NOC(O)(C(F)(F)F)C2)CCCCC1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID1869593,Cc1cc(C)c(C#N)c(OCC(=O)c2ccc(Br)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID875508,O=C(CSc1ccc(Cl)cc1)N1CCCC1
+,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID664863,Nc1c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc2n1Cc1cccs1
+,,,,,,,,,,,,,,,,0.0,CID2999749,CCOC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID1235414,Cc1cccc2c(CC(=O)Nc3ccccc3)noc12
+,,,,,,0.0,,,,,,,,,,,CID658429,C=C(Cl)COC(=O)C1C2C=CC(C2)C1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1484103,CCOC(=O)n1c(=O)n(C)c2ccc(Cl)cc21
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,0.0,,CID4120148,O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)C1COc2ccccc2O1
+0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,CID3241849,Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1
+,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,CID648834,COc1ccc2c3c(cccc13)OCC2=O
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID678368,c1ccc2c(c1)nnn2-c1ncnc2sc3c(c12)CCCC3
+,,,,,,,,,,,0.0,,,,,,CID829349,Cc1cccc(-n2c(C)n[nH]c2=S)c1C
+,,,,,,,,,0.0,,0.0,,,,,,CID4139750,O=C1N(Cc2ccc(F)cc2Cl)c2ccccc2C12OCCCO2
+,,,,,,0.0,,,,0.0,,,,,,,CID627763,CCOc1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1
+,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,CID3239692,Cc1[nH]c(SCc2cccc(F)c2)nc(=O)c1C#N
+,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,,,CID732046,O=C(Oc1ccc2c(c1)OCC2=O)c1ccccc1
+,,,,,,,0.0,0.0,,,,,,,,,CID3235940,CCCS(=O)(=O)N1CCC(C(=O)N2CCN(C(=O)OCC)CC2)CC1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID2332761,O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2371433,O=C(COC(=O)CCc1nc2ccccc2s1)Nc1nc(-c2ccccc2)cs1
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID3240422,CCCCNC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21
+,,,,,,,,,,0.0,,,,,,,CID3347463,CC1CCCC/C1=N\NS(=O)(=O)c1ccc(Br)cc1
+,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID3240131,COc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID885686,COCC(=O)Nc1ccc(N(C)C)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID654355,O=C(Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21)N1CCCC1
+,,,,,,,,,0.0,,,,,,,0.0,CID3236729,O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
+,,,,,,,,,,0.0,,,,,,,CID2053602,Cc1ccc2nc(NCCCO)[nH]c2c1
+0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,,CID650201,CS(=O)(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1
+0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID656140,COc1cc(C(=O)N2CCC(c3nc(-c4cccnc4)no3)CC2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2435457,CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1cccc(F)c1
+,,,,,,,,,,,,,0.0,,,,CID4881278,CC(C)Cn1c(SCC(=O)Nc2ncccn2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1966581,Cn1c2ccccc2c(=O)c2c(=O)n(C3CCCCC3)c(-c3cccs3)nc21
+,,,,,,,0.0,,,,,,,,,0.0,CID3244561,Cc1ccc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)cc1C
+,,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,CID648124,O=C(c1ccc(Cl)cc1)C1CCN(C(=O)N2CCOCC2)CC1
+0.0,,,,,,,,,,,,,,0.0,,0.0,CID652246,COc1cc(CO)cc(Br)c1OCC(=O)N1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID1473686,COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2SCc2ccccc2Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2873453,Cc1ccc(S(=O)(=O)N/C(=N/C(Cc2ccccc2)C(=O)O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5216953,COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(C)ccc3C)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2938638,COc1ccc(OC)c(C2NC(=S)NC(C)=C2C(=O)Nc2ccccn2)c1
+,,,,,,,,,,,,0.0,0.0,,0.0,0.0,CID2409147,Cc1cc(=O)nc(SCc2cc(Cl)ccc2OC(F)F)[nH]1
+,,,,,,,,,,0.0,,,,,,,CID252398,CC(=O)CSc1nc2ccccc2s1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID1166460,Cn1c(=O)c2c(nc(SCC(=O)NC3CCCCC3)n2C)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID4121863,O=C(Cc1ccc(Nc2nc(=S)[nH]c3ccccc23)cc1)NC1CCCCC1
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID745079,COc1ccc2nc(-c3ccccc3)[nH]c2c1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID646083,CS(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1
+,,,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,CID655360,O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCC1CCCO1
+0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,,,CID651966,CC1(C)CC(NC(=O)CC2CCCCC2)CC(C)(C)N1
+,,,,,,,,,,,,,0.0,,,,CID2251007,CC(C)CNC(=O)C(=O)NCc1ccccn1
+,,,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,CID647061,CCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C
+,,,,,,,,,,,,,,0.0,,,CID4010365,COC(=O)c1ccc(/C=N/N2C(=O)CN(C(C)C)C2c2ccc(C(=O)OC)cc2)cc1
+0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,CID2998083,Cc1cc(C)c(NC(=O)c2cc3c(nc4sccn43)s2)c(C)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID3235822,O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1
+,,,,,,0.0,,,,,,,,,,,CID5771475,COc1ccc(NC(=O)C2=CC3=NC(c4ccc5c(c4)OCO5)CC(C(F)(F)F)N3N2)cc1OC
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID1002641,O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1
+,,,,,0.0,,,,,0.0,,,,,,,CID1456610,CCCc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID3125446,CC(C)(C)C1CCC(=NNC(=O)C(=O)NC2CCCCC2)CC1
+0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID1084959,C/C(Cl)=C\Cn1c(Nc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID3120687,CC(C(=O)N1c2ccccc2CCc2ccccc21)N1C(=O)c2ccccc2C1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID582695,O=C(Cc1c[nH]c2ccccc12)OCCOC(=O)Cc1c[nH]c2ccccc12
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,CID1213365,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID3244936,O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1
+,,,,,,,,,,,0.0,0.0,,,,,CID3237157,CNC(=O)Nc1cc(C(C)(C)C)no1
+0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,CID2197921,CC(C)OC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3238778,CC(C)(C)OC(=O)N1CCC(C(=O)N2CCOCC2)CC1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID656154,CCOc1cc(C)nc(N2CCN(C3CCCCC3)CC2)n1
+,,,0.0,,,,0.0,,,,,,,,,,CID763864,Cc1ccc(-c2nc(-c3cccnc3)no2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16191100,CC(C)(C)NC(=O)N1CCCC(C(=O)c2cccc(Cl)c2)C1
+,,,,,,,,,,,,,0.0,,,,CID16194931,CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc2c(c1)OCCO2
+0.0,,,0.0,,,,,,,,,0.0,,,,0.0,CID649044,O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3542314,CCc1cc(C(c2cccc(OC)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1
+,,,,,,0.0,,,,,,,,,,,CID658152,CCOC(=O)C(C(=O)OCC)N(C#N)c1nc(SC)nc(N(C)C)n1
+,,,,,,,,,,,,0.0,,,,,CID3245072,CC(=O)N1CCC2(CC1)CC(=O)c1cc(OCC(=O)N3CCN(C)CC3)ccc1O2
+,,,,,,,,,,,,,,0.0,,,CID893243,CCCn1nnc(NC(=O)Cc2ccccc2)n1
+0.0,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID3000116,CCC(C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C
+,,0.0,,,,,0.0,,,,,,,,,,CID849905,O=C(CN1CCN(C(=O)N2CCCCC2)CC1)Nc1ccc(F)cc1
+0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0,CID647060,COC(=O)c1cccc(NC(=O)CSc2nnc(COc3cccc(C)c3)n2C)c1
+,,,,,,,,,0.0,,,,,,,,CID809896,CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc(C)c1C
+0.0,,,0.0,,,,,,,,,0.0,,,,0.0,CID3242883,Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccco4)on3)c2C)cc1
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2998000,COCCN1C(=O)C(CC(=O)Nc2ccc(C(C)=O)cc2)S/C1=N\c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1798712,O=C(NCCSCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,0.0,,,,,,,,,,,CID652862,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2ccccc2)c(OC)c1
+,,,,,,0.0,,,,,,,,,,,CID654422,O=C(NCC1CCCO1)c1nc2n(Cc3ccc(F)cc3)[nH]nc-2c(=O)n1
+,,,,,,,0.0,,,,,,,0.0,,,CID1087398,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(C(=O)OC)cc1
+,0.0,,,,0.0,,,,,,,,,,,,CID1335580,Cc1ccc(OCCn2c(C)c(/C=N/n3cnnc3)c3ccccc32)cc1
+,,,,,,,0.0,,,,,,,,,,CID3243010,CCn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2149375,CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCC(C)CC3)ccc12
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2956983,CCOc1ccc2nc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)sc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID658233,O=c1[nH]nc2n1CCCCC2
+0.0,,,,,,,,,0.0,,,0.0,,,,,CID1067684,O=C(Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID2765815,CCCCn1ccc(=O)c(Cc2ccc(F)cc2)c1O
+,,,,,,,,,,,,,,0.0,,,CID710888,COc1cc(C(=O)ON=C2C(C)=CC(=O)C=C2C)cc(OC)c1OC
+,,,,,,,0.0,,,,,,,,,,CID652233,COCc1[nH]nc2c1C(c1ccsc1)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,0.0,,,,,,CID4065193,COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(=O)O)cc3)oc12
+0.0,,0.0,,,,,,,,0.0,0.0,,,,,,CID655022,O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccco1
+,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,0.0,CID663849,CCC(=O)OCc1cc2cccc(C)c2[nH]c1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID910076,CC(C)Cc1nc2n[nH]c(N)c2c2c1COC(C)(C)C2
+,,0.0,,,,,0.0,,,,,,,,,,CID5389482,C=CCN1C(=O)NC(=O)/C(=C(\C)Nc2cc(OC)ccc2OC)C1=O
+,,,,,,0.0,,,,,0.0,,,,,,CID647571,CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cccnc2)n1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID2310700,CC(=O)N(Cc1ccccc1)c1ncc2c(n1)c(=O)c(C#N)c1ccccn12
+,,,,,,,,,0.0,,,,,,,,CID3119320,CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccc2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3243660,CCOC(=O)CNC(=O)CN1C(=O)CCSc2ccccc21
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID4103173,CC1(C(=O)NC2CCCCC2)CCC(=O)N1Cc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID706496,CCN(CC)S(=O)(=O)c1cccc2cccnc12
+,,,,,,,0.0,,,,,,,,,,CID2234302,O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,CID653347,Cc1cc2c(s1)=NC(=O)CNC=2c1cccs1
+0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,,CID654658,O=C(NCCCCCNC(=O)c1ccco1)c1ccco1
+,,,,,,,,,,,,0.0,,,,,CID5308067,Cc1cccc(-c2nc(CS(=O)CC(=O)N3CCCCC3)c(C)o2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID958574,Cc1ccc(OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1
+,,,,,,,,,0.0,,,,,,,,CID9551469,CCCCCNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
+,,,,,,,,,,0.0,,0.0,,,,,CID5309818,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1
+,,0.0,,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,CID2896448,O=C(Nc1cccc2ccccc12)OC1C=CS(=O)(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID16194170,COc1ccc(Cl)cc1NC(=O)CN1C(=O)CC(C)S(=O)(=O)c2ccccc21
+,,,,,,,,,,0.0,,,,,,0.0,CID5310855,CC(=O)/C=C(\C)Nc1ccc(-c2cnc(-c3ccccc3)o2)cc1
+,,,,,,,,,,,,0.0,,,0.0,,CID2206404,CC(=O)Nc1cccc(NC(=O)Nc2ccc(C(C)=O)cc2)c1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID3236482,CCOC(=O)c1csc(Nc2nc3ccc(F)cc3s2)n1
+0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID2203239,O=C(c1cccs1)c1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID660402,COc1cc(=O)n(C)c2cc(N(C)C)ccc12
+,,,,,,,,,,,,,0.0,,,,CID1051652,CN(C(=S)NC(=O)c1ccc(Br)o1)c1ccccc1
+0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,CID666198,Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID673710,Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
+,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,CID4252621,COc1ccccc1-c1nnc(NC(=O)C(C)SC2=NCCS2)s1
+,,,0.0,,,,0.0,,,,,,,,,,CID651873,COc1ccccc1NS(=O)(=O)c1[nH]c(=O)[nH]c(=O)c1C
+,,,,,0.0,,,,,,,,,,0.0,0.0,CID5309041,CC(C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1
+,,,,,,,,,0.0,,,,,,,0.0,CID655402,Cc1cc(N2CCC(C(=O)N3CCN(c4cccc(C)c4C)CC3)CC2)n2ncnc2n1
+,,,,,,,,,,,0.0,,,,,,CID2082421,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
+0.0,,,,,,,,,,,,,,,,,CID5308555,CCCN1C(=O)c2cc(C(=O)NCCc3cccc(C)c3)ccc2C1O
+,,,,,0.0,,,,,,,,,,,,CID744412,CC(C)Oc1ccc(NC(N)=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID3651146,O=C(O)CCC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID3335155,CCCCNC(=O)C12CCC(C)(C(=O)C1Br)C2(C)C
+,,,,,,,,,0.0,,,,,,,,CID3272407,Fc1ccc(C2=Nn3c(Cc4ccccc4F)nnc3SC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1117403,COc1ccc(-c2cc(C(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID1329429,Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4cccnc4)cc3C2=O)c(C)c1
+,,,,,,,,0.0,,,,,,,,,CID3322909,O=C(COC(=O)CC12CC3CC(CC(Br)(C3)C1)C2)NC(=O)NCc1ccco1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID2314714,COC(=O)c1nc(NC(=O)c2ccc(Cl)cc2)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID1136475,Cn1cc(Cl)c(C(=O)OCC(=O)Nc2ccccc2)n1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3243356,Cn1c(=O)cc(SCC(=O)NCc2ccco2)c2ccccc21
+,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,CID3240474,COCC(=O)N(c1ccc(C(C)C)cc1)C1C=CS(=O)(=O)C1
+,,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,CID661961,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID3239471,O=C(c1noc2c1CCCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,0.0,,,,,,0.0,0.0,0.0,,,,,,,CID724783,CCc1ccccc1OCC(=O)NC1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID9551939,CC(Sc1nnc(C(C)N(C)C)n1-c1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,0.0,,,,,,CID1780041,Clc1ccc(OCCSc2nnnn2C2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1444042,CC(=O)NC1(c2cccc(F)c2)CCN(CC(=O)NC(C)C)CC1
+0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,,,CID4160031,CSC1=NCCN1C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID752989,CCOC(=O)/C=C1\CC(=O)Nc2cc(C)c(C)cc2N1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,CID936961,CCn1c(SCc2ccccc2)nnc1-c1cccs1
+,,,,,,,,,0.0,0.0,,,,,,,CID3157056,CC(Sc1ccc(Cl)cc1)C(=O)NCc1ccc2c(c1)OCO2
+,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,CID974153,Cn1c(=O)n(C)c2cc(S(=O)(=O)NCCc3ccccc3)ccc21
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2999019,N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCCC1
+,0.0,,,,,,,,,,,,,,,,CID5389551,O=C1C=CC=C/C1=C1\N=C(NCc2ccco2)c2ccccc2N1
+,0.0,,,,,,0.0,,,,0.0,,,,0.0,0.0,CID666831,Cc1cc(NC(=O)CSc2nnc(-c3ccoc3C)o2)no1
+,,,,,0.0,,,,,,,,,,,,CID2507641,O=C(CSc1nncs1)Nc1ccc2c(c1)OCCO2
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID3244237,COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1
+,,,,,,,,,,0.0,,,,,,,CID2931733,COc1cccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)c1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID934656,Cc1cc(C)n2nc(-c3cccnc3)nc2n1
+,,,,,0.0,,,,,,,,,,,,CID5768891,COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccncc1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,CID648812,CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C#N)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID1284913,O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCOCC1
+,,,,,,,,,,,,0.0,,,,,CID2930384,COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21
+0.0,,,,0.0,0.0,1.0,,0.0,0.0,0.0,,0.0,,0.0,,,CID3241407,COc1ccc2nc(Nc3nc(C)c(C(C)=O)s3)sc2c1
+,,,,,,,,,,0.0,,0.0,,,,,CID656292,CC(=O)NC1CC2CCCC(C1)N2S(=O)(=O)c1ccccc1
+,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID971878,CCOC(=O)c1ccc(NC(=O)Nc2ccn(C)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2741375,COc1ccc(NC(=O)C(C)c2ccc(CC(C)C)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1430541,CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccccc3OC)cc2c1
+,0.0,0.0,,1.0,,,,,,0.0,,,,,,0.0,CID2145570,Cc1oc(-c2ccc(Cl)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID5307722,c1ccc(N2CCOCC2)c(Nc2nc3ccccc3n3cnnc23)c1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID650085,O=C(Cc1cccs1)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1
+,,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,CID665244,CC(=O)Nc1nc(SCCCc2ccccc2)n[nH]1
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID2990652,CCCn1c(CN2CCCCC2CC)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,0.0,,,,,,,,,CID9550755,O=C(CN1CCN(Cc2ccccc2F)C1=O)NCCc1ccc(Cl)cc1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID1265745,O=C(CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1)N1CCc2ccccc21
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID847035,O=C(Cc1cccs1)Nc1nc2c(s1)CCCC2
+0.0,,,,,,,,,,,,,,,,0.0,CID729876,COc1ccc(C(=O)N2CCOCC2)cc1Br
+0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,CID2850176,COc1cccc(OC)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID664769,CC(C)OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1
+,,,,,,,,,,,,,,0.0,,,CID12005900,Cc1ccc(S(=O)(=O)N(CCCO)CC(O)CON=C2c3ccccc3-c3ccccc32)cc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID1070450,O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID752372,CCOC(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1610940,Cc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID712750,Cc1cc(C)c2c(=O)n(-c3ccccc3)[nH]c2n1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID664992,O=C1CCCN1CCCNc1ncnc2c1[nH]c1ccc(Cl)cc12
+,,,,0.0,,,,,,,,,,,,,CID302991,CCCCSC(=O)Nc1ccccc1
+,,,,,0.0,,0.0,,,,,,,,,,CID9595212,Cc1ccc(OCCn2cc(/C(N)=N/O)c3ccccc32)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1483781,Cc1ccc(-c2onc3ccc(C4OCCO4)cc23)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID653235,Cc1cc(N2C3CCC2CC(O)(c2ccc(F)cc2)C3)nc(-c2ccccc2)n1
+,,,,,,,,,0.0,,,,,,,,CID683945,CCc1ccc(C(=O)C23CN4CN(CN(C4)C2)C3)cc1
+,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID3237021,Cc1ccc(CS(=O)(=O)CCC(=O)NCC2CCCO2)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID650268,CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCCC1
+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID3237226,CCCN1Cc2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2C1=O
+,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,CID750944,CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)c1=N
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID650869,Cn1c(=O)oc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc21
+,,,,,,,,,,,,,,0.0,,,CID2163124,O=C(O)c1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID4395195,CN1c2ccccc2C(C)(C)C12CC(CCl)=NO2
+0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,CID2202493,CCn1c(SCC(=O)Nc2ccccc2N2CCOCC2)nnc1-c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID347531,O=C(NCc1ccccc1)c1ccco1
+,,,,,,,,0.0,,,,,0.0,,,,CID775747,COc1ccc(Br)cc1S(=O)(=O)N1CCOCC1
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID1084037,Cc1nc2cc(NC(=O)Nc3ccc(N4CCOCC4)cc3)ccc2n1C
+,,,,,,,,,,0.0,,,,,,,CID9549606,N/C(=N\OC(=O)c1ccc(Cl)cc1)c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID1361768,CC1(C)Cc2c(sc3nc(-c4ccccc4Cl)n(N)c(=O)c23)CO1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID877195,[O-]/[N+](=C/c1cccnc1)c1ccc(Br)cc1
+,,,,0.0,,,,,,,,,,,,,CID2266596,CCOc1ccc(OCC)c(S(=O)(=O)NCCCN2CCOCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID3950362,CNC(=S)N/N=C(\C)c1ccc(Cl)c(Cl)c1
+,,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID3240972,CC(=O)NCCn1c(SCC(=O)NCC2CCCO2)nc2ccccc2c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID3225035,Cc1ccc2c(c1)N(CC(=O)NCC1CCCO1)C(=O)C(C)O2
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+,,,,,,,,,,,,,0.0,,,,CID2548079,CCCn1c(C)cc(C(=O)COc2ccc(-c3nnco3)cc2)c1C
+,0.0,,,,,,,,0.0,,0.0,,,,,0.0,CID3240985,Cc1sc2ncn(CC(=O)NCc3ccccn3)c(=O)c2c1S(=O)(=O)N1CCOCC1
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+0.0,,,,0.0,,,,,,,,,,,,,CID662453,COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1
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+,,,,,,,,,,,,,0.0,0.0,,,CID701648,Cc1ccsc1/C=C1\SC(N2CCOCC2)=NC1=O
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+,,,,0.0,,,0.0,,,,,,,,,,CID3237175,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCCN2CCCC2)o1
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+,,,,,,,,,,,0.0,,,,,,CID2983151,CC1CN(S(=O)(=O)N(C)C)CCN1S(=O)(=O)N(C)C
+,,,,,,,,,0.0,,,,,,,,CID4753811,CCn1c(C2CC(=O)N(c3ccc(C)c(C)c3)C2)nc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID1485867,Cc1snc(S(=O)(=O)Cc2c(Cl)cccc2Cl)c1C#N
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+,,0.0,,,,,,,,,,,0.0,,,,CID5307395,CCOc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3155644,Cc1cc(C=O)c(C)n1CC1CCCO1
+,,,,,,,,,0.0,,0.0,,,,,,CID696853,CCc1cc2c(SCC(=O)c3ccccc3)ncnc2s1
+,,,0.0,,,0.0,,,,,,,,,,,CID1249942,CCN1CCn2c1nc(N1CCCCC1)nc2=O
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+,,,,0.0,,0.0,,,,,0.0,,,,,,CID2200894,O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1nsc(-c2ccc(Cl)cc2)n1
+,,0.0,,,0.0,,,,,,,,,0.0,,0.0,CID2919046,Cc1ccc(CC2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccccc3)C2=O)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1153527,COc1ccc(N2CCN(C(=O)CSc3nnc4c(C)cc5ccc(C)c(C)c5n34)CC2)cc1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID661534,Cc1nnc2c(NC(C)C)nc3ccccc3n12
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+,,,,,0.0,,,,,,,0.0,,,,,CID883452,Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3639126,O=C(NN1C(=O)C2C3C=CC(O3)C2C1=O)c1ccncc1
+,,,,,,0.0,0.0,,,,,,,,,,CID774455,COc1ccc(OCC(=O)Nc2cc(OC)cc(OC)c2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3243701,CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1
+0.0,,,,0.0,,,,,0.0,,,,0.0,,,,CID667195,Cc1ccccc1N1C(=O)C2Cc3ccccc3CN2C1=O
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+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID738629,O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1
+,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2149366,COc1cccc2c(=O)n(CC(=O)NC3CCCCC3)ccc12
+,,,,,,,,,,,,,0.0,,,,CID1310552,O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
+,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,CID1853450,O=c1nc(N2CCc3ccccc32)[nH]c2c1CCCC2
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID1291961,O=C(c1cccs1)c1cn(Cc2ccccc2Cl)c2ccccc12
+,,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,CID1575795,Cc1cc(OCCCC(=O)N2CCCCC2)cc(C)c1Cl
+0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,CID659437,O=c1nc[nH]c2nc3n(c12)CCCCC3
+,,,,,,,,,,,,,0.0,0.0,,,CID2064202,CC(C)=C(NC(=O)c1ccccc1)C(=O)Nc1cccc(C(=O)O)c1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID782507,C/C=C(\C)CN1CCN(c2ccccc2)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID914061,Cc1cc(C)nc(SCNC(=O)c2ccc(Cl)cc2)n1
+,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID2219273,O=C(NCCN1CCCCC1)c1cc2ccccc2[nH]1
+,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,CID2261372,COc1ccccc1N(CC(=O)NCCSc1ccccc1)S(C)(=O)=O
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID558849,O=c1nc(CN2CCCCC2)[nH]c2c1C1(CCCC1)Cc1ccccc1-2
+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID655191,COc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2768244,O=S(=O)(Nc1ccc(-n2cccc2)cc1)c1ccc(Cl)cc1Cl
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID649035,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID893626,Cc1nc2cc(NC(=O)NCc3ccccc3)ccc2o1
+,,,,,0.0,,,,,,0.0,,,,,,CID1352951,Cc1cccc(C(=O)N/N=C/c2ccc(OCC(=O)N3CCCCC3)cc2)c1
+,,,,,,0.0,,0.0,,,,,,,,,CID1314547,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID721818,O=[N+]([O-])c1cc(Cl)ccc1Sc1cccc2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID857589,Cn1c(SCC(=O)OCc2ccccc2)nnc1-c1ccco1
+0.0,,,,,,,,,,,,,,,,,CID2221358,O=C1CCC(=O)N1OCCCOc1ccc(Br)cc1Cl
+,,,,,0.0,,,,,,0.0,,,,,,CID734553,Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CC(C)(C)C
+0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,CID654914,CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(C)=O)CC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID793956,Clc1ccc(OCc2nc(-c3ccncc3)no2)cc1
+,,,,,,,,,,,,,0.0,,,,CID861903,COc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)cc1
+,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID3237452,CCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3162330,COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC(C)C
+,,,,,,,,,,,,,,,,0.0,CID657798,CCOC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F
+,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,,CID768313,CN(C)CC(=O)c1ccc(-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2308530,Cn1cccc1C(=O)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,0.0,,,,CID2215894,CCc1cc(OCCCSc2nc(=O)cc(C)[nH]2)ccc1Cl
+,,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID3237807,CCOc1ccc(-c2nnc3ccc(SCc4ccc(C(=O)OC)o4)nn23)cc1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID648113,O=S(=O)(c1ccc(-c2nnc(SCc3ccccc3)o2)cc1)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID3701027,COc1ccc(C(=O)C2CN(C)CC2c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID658740,C=CCSc1nncn1/N=C/c1ccc(OC)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID664259,CCN(CC)CCCNC(=O)NC(Cc1ccccc1)C(=O)O
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID1912725,CCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21
+,,,,,0.0,,,,,,,,,,,,CID848795,COc1ccc(C(=O)Oc2ccc3oc(=O)cc(C)c3c2)cc1OC
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID3236376,Cc1cccc(N2CCN(C(=O)c3cc4c(=O)[nH]c5ccccc5c4n3C)CC2)c1C
+,0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,CID3238296,O=C(Nc1cccs1)Nc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2261646,COC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1
+,,,,,0.0,,,,,,,,,,,,CID1218387,CCOC(=O)c1ccc(COC(=O)c2ccc3c(c2)-c2ccccc2C3=O)cc1
+0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,CID828350,C=CCn1c(O)c(C(=O)NCCc2ccccc2)c(=O)c2ccccc21
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID265942,O=C(CN1CCCCC1)N1CCN(C(=O)CN2CCCCC2)CC1
+,,,,,,,,,,,,,,,0.0,,CID5310832,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc(S(=O)(=O)N(C)C)cc2)C1c1ccncc1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID4144800,O=C(CN1C(=O)CCC1=O)Nc1nc(-c2nc3ccccc3s2)cs1
+,,,,,,,,,,,,,,,,0.0,CID654016,COc1ccc2cc(CN(Cc3ccco3)Cc3nnnn3C3CCCCC3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID2595599,COc1cccc(-n2c(SCC(=O)NCc3cccs3)nc3ccccc3c2=O)c1
+,,,,,,,,,,0.0,,,,,,,CID9551298,CN(CC(=O)NCc1cccnc1)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
+,,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,CID888694,Cc1ccc(NC2=CC(=O)CCC2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID6409773,CSc1nnc(C)c(/C=C/Nc2ccc(C)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2898518,COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID785582,Cc1ccn(S(=O)(=O)c2ccc(N3CCCC3=O)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1243243,CC(C)NS(=O)(=O)c1ccc(NC(=O)NC2CCCCC2)cc1
+0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,0.0,CID651104,Cc1ncsc1C(=O)Nc1nc2c(s1)CC(C)CC2
+,,,,,,,,,,,,0.0,0.0,,,,CID659701,CCCCCOc1ccc(C(=O)NC(CCC)C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID786267,Cc1cc(N)n(-c2ccc([N+](=O)[O-])cc2)n1
+,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,CID3151084,CCCCCn1c(SCCOCC)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID653669,CCSc1nc(-c2ccc(OC)cc2)ccc1C#N
+,,,,,,1.0,0.0,,,,,0.0,,,0.0,,CID3235919,CCOC(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID708441,Cc1ccc(N2C(=O)c3cccc4c(C(=O)O)ccc(c34)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348934,O=C1C=CC([N+](=O)[O-])=C/C1=C1\NC(c2ccccc2)=C(c2cccs2)N1
+,,,,,,,,,,,,,0.0,,,,CID3143118,C=CCn1c(C(CCC(C)C)CC(C)(C)O)n[nH]c1=S
+,,,,,,,,,,,,,0.0,,,,CID951610,CSc1cccc(NC(=O)Cc2ccccc2[N+](=O)[O-])c1
+,,,,,,,,0.0,,,,,,,,,CID662640,COc1ccc(N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID829437,Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ncccc2C)cc1
+,,,,,0.0,0.0,,,,,,,,,0.0,0.0,CID647192,CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C
+,,,,,,,,,,,,,,0.0,,,CID1475810,O/N=C/c1cn(-c2ccc(Cl)cc2)nn1
+0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,CID665144,Cc1ccc(S(=O)(=O)Cc2cn3cccnc3n2)cc1
+0.0,0.0,,0.0,,,0.0,,,,0.0,,0.0,0.0,,0.0,,CID971444,Cc1nnc(SCC(=O)N2CCCCC2)s1
+,,,,,,,,,,,0.0,,,,,,CID3195163,CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)n1
+,,,,,0.0,,,,,,,,,,,,CID1358645,COc1ccc(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccccc2)cc1Cl
+,,,,,,,,,0.0,,,,,,,,CID1484742,CCOC(=O)c1cnc(SC)nc1Sc1ccc(Cl)cc1Cl
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,,CID3240615,CC(=O)c1c(C)[nH]c(C(=O)NCCCN2CCCC2)c1C
+,,,,0.0,,,,,,,,,,,0.0,,CID649194,O=C(NC(NC1CCS(=O)(=O)C1)C(=O)c1cccs1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4364910,CC(Oc1ccccc1)c1ccn[nH]1
+,0.0,,,,,0.0,,,,,,,,,,,CID975225,Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(C)on3)nc2n1
+,,0.0,,,0.0,,,,,,,,0.0,0.0,,,CID2916457,O=C1c2nc3ccccn3c2C(=O)N1Cc1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID664986,CCOc1ccc2nc(NC3=NCN(CC4CCCO4)CN3)nc(C)c2c1
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID658937,COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OC)C(F)(F)F
+,,,,,,,,0.0,,,,,,,,,CID1734887,CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)n1-c1ccccc1
+,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,,CID2576558,COc1cc2c(cc1OC)CN(C(=O)Cc1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2
+,,,,,,,,,,,,0.0,,,,,CID2967875,COc1ccc(NC(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)c(OC)c1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID3243749,O=C(c1ccc2c(c1)OCO2)N1CCNc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID1489027,O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID798026,Cc1ccc(COc2ccc(Br)cc2/C=N/O)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2336421,Cn1cnnc1SCC(=O)c1ccco1
+,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,0.0,CID645615,CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID737591,Cn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21
+,,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID659174,CC(C)Oc1ccc(Cc2c(O)nc(NCCCN(C)C)[nH]c2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID938212,COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1
+,,,,,,,,,,,,,0.0,,,,CID970475,COc1ccc(NC(=S)NN2CCN(C)CC2)cc1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID3126582,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccco1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID1075715,COc1ccc(N(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)S(C)(=O)=O)cc1OC
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID660385,COC(=O)CSc1nnc(-c2cccc(NC(=O)c3ccc(C)cc3)c2)n1C
+,,,,,,,,,,,0.0,,,0.0,,,CID1448557,CC1CCC(NC(=O)c2cnccn2)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID3219449,Cc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)c2csnn2)C2CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID649891,Cc1ccc(-c2nnn(CC(=O)N(c3cccc(F)c3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
+,,,,,,,,,,,1.0,,,,,,CID5714572,O=C1Nc2ccccc2/C1=C/c1cnc[nH]1
+,,,,,0.0,,,,,,,,,,,,CID1124191,Cc1cc(C)cc(-n2c(C)cc(/C=N/NC(=O)CSc3ncccn3)c2C)c1
+,,,,0.0,,,,,0.0,0.0,,,0.0,,,,CID646294,O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID6409081,Cc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3162456,COc1ccccc1C1CC(=O)Nc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,CID3236895,Cc1cc(NC(=O)c2cc(-c3cccc(Cl)c3)on2)no1
+,,,,,0.0,,,,,,,,,,,,CID11841561,COc1ccc(C2NC(=O)c3sc4nc(C)c(C(C)=O)c(-c5ccc(Cl)cc5)c4c3N2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4883853,COc1ccccc1C(C)NC(=O)c1ccc(C)o1
+,,,0.0,,,,,,,,,,,,,,CID3239185,O=C(NO)c1ccc(OC(F)F)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2576,CCCC(C)(COC(N)=O)COC(=O)NC(C)C
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID663678,COc1cc(NC(=O)NC(C(=O)O)C(C)C)cc(OC)c1
+,,,0.0,,0.0,,,0.0,,,,,,,0.0,0.0,CID3236721,COC(=O)c1ccccc1NC(=O)c1cnc2sccn2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2357119,Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccco4)cc3)sc2c1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID3243184,COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccccc3OC)CC2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID1476671,CSc1cc(-c2ccccc2)n(Cc2ccc(Cl)cc2)c(=O)c1C#N
+0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,CID3243257,COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccccc4C)c3)no2)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID664003,COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(Cc2ccc(F)cc2)c(=O)[nH]c1=O
+,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,0.0,CID2123297,COc1ccc2nc(NC3=NCCC3)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID6871355,CN1C(=O)/C(=C\C2=C/C(=N/Nc3ccccc3)C=CC2=O)SC1=S
+,,,,,,,,,,,,,0.0,0.0,,,CID697664,COC(=O)CSc1nc(NC(C)=O)nc(C)c1Br
+0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,CID2421595,COc1ccc(-n2c(C)cc(C(=O)COC(=O)Cn3cnc4ccccc43)c2C)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID3244323,CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4ccccn4)CC3)ccc21
+,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,,CID870241,O=C1Nc2ccc(S(=O)(=O)NCc3ccccn3)c3cccc1c23
+,,,,,,,0.0,,0.0,,,,,,,,CID5727370,N/C(=N\c1nc2ccccc2o1)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID884011,CC(C)CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5145940,CC(C)CCNC(=O)c1ccc(C2SCC(=O)N2Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2375060,Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,0.0,,,CID3406810,CCOC(=O)CSc1nn(C)c(=S)s1
+0.0,0.0,1.0,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,CID2402326,COc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1
+,0.0,,,,,0.0,0.0,,,,,,,,,0.0,CID3241914,Cc1nn(C)cc1CNC(=O)C1C2CCC(O2)C1C(=O)O
+,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,CID976512,CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
+,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,,CID2980615,COc1cccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1OC
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID646097,O=C(Cn1ccs/c1=N\C(=O)c1ccco1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2417768,O=C(CCc1nc(=O)c2ccccc2[nH]1)NCc1ccco1
+,,0.0,,,,,,,,,,,,,,,CID688137,CC1(C(=O)O)CC(C)(C(=O)O)CC(C)(C(=O)O)C1
+,,,,,,,,,,,0.0,,,,,0.0,CID667136,CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2nc3ccccc3s2)C1
+,,,,,,0.0,,0.0,,,,,,,,,CID975418,Cc1ccc(S(=O)(=O)CC(=O)N(C)C)cc1
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID3241310,CCn1c(=O)cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID16187607,O=C(c1cccc(Cl)c1)C1CCCN(Cc2cccc3cnccc23)C1
+,,,0.0,0.0,,,,,0.0,,,,,,0.0,,CID3237051,Cc1c(C(=O)N2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
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+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID718039,O=c1ccn(CCOc2ccc(Cl)cc2)c(=O)[nH]1
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+0.0,,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,,CID2227333,COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1OC
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+,,0.0,0.0,,,,,,0.0,,0.0,,,,,,CID647611,CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)ccc2[nH]c1=O)C1CCCC1
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+,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID1262670,CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)c1ccc(OC)cc1
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+,,,,,,,,,,,,,,,0.0,,CID3457755,COc1ccc(NC(=O)Nc2nnc(N3CCCCC3C)s2)cc1OC
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID2946235,CCC1(CC)C(=O)C(C)(C)C(=O)OC1c1cccs1
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+,,0.0,,,,0.0,,,,,,,,,0.0,,CID778306,Fc1ccc(CSc2nc3ncccc3[nH]2)cc1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID776029,Cc1ccc2ccccc2c1COC(=O)c1nonc1N
+,,,,,,,,,,,,,,0.0,,,CID5907280,COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)NCCCN(C)C)cc1
+,,,,,,,,,0.0,,,,,,0.0,,CID3235815,CCN(C(=O)Cn1c(=O)n2nc(CCn3nc(C)cc3C)nc2c2ccccc21)c1cccc(C)c1
+,,,,0.0,,,0.0,,,,,,,,,,CID647777,O=C(Nc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCC3)CC2)cc1)c1ccco1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID2394755,O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCCc2ccccc21
+,0.0,,0.0,,,,,,,,,,,,,,CID1260067,Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID16189317,CCCOc1ccc(C2C(C(=O)/C=C/c3ccco3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2851554,NC(=O)NC(c1ccccc1)c1cccc2ccccc12
+,0.0,,,0.0,,,,,,,,,,,,,CID654102,CN(C(=O)c1ccccn1)c1nnc(-c2cnccn2)s1
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID2551695,COc1ccc(-n2cnnc2SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3636779,CC(C)c1nc(SCC(=O)Nc2cccc(S(N)(=O)=O)c2)n[nH]1
+,,,,,,,,,0.0,,,,,,,,CID5136280,CCCCCCCCC(=O)N/N=C(\C)c1cccnc1
+0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,CID655280,COc1cccc(OC)c1C(=O)Nn1c(C2CCC2)nc2ccccc2c1=O
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID5310169,CCOC(=O)C(C)Sc1nc(-c2ccc(OC)cc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,0.0,,,,,CID714971,Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1
+,,,,,,,,,,,0.0,,,,,,CID2057913,COc1ccc(OCCCc2c(C)n[nH]c2C)cc1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID2371846,CCOC(=O)c1c(Nc2nc(C)c(C(=O)NC)s2)sc(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID803711,Cc1cc(C)c(C)c(C(=O)c2ccccc2C(=O)O)c1C
+,0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID2911742,Cc1onc(-c2ccccc2Cl)c1C(=O)NC1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID3192952,Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccc(F)cc4)s3)CC2)cc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID798725,CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12
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+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID2977388,Cc1cc2c(cc1C)NC(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID762736,Cc1cc(C)c2ccc(C)[n+]([O-])c2c1O
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+,,,,,0.0,,,,,,,,,,,,CID1120623,O=C(NCc1ccccc1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID645444,CCc1nc2sc3c(c2c(=O)n1N)CCC3
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+,,,,,,,,,,,,,,0.0,,,CID683726,O=C(COc1cccc([N+](=O)[O-])c1)N/N=C/c1ccco1
+,,,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,CID2998979,Cc1cc(C(=O)OCC(=O)N2CC(C)CC(C)C2)c(C)o1
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+,0.0,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,CID665410,CN1C(=O)C(C2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)N(C)C1=O
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+,0.0,,,,,,,,,,,,,,,0.0,CID652305,O=C(NC1CC2CCCC(C1)N2CC(=O)N1CCCc2ccccc21)C1CCCCC1
+,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,CID2963568,CN(C(=O)c1ccccc1)C1(C)CCS(=O)(=O)C1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID645319,CCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2)CC1
+,,,,,,,,,0.0,,0.0,,,,,,CID1138146,O=C(NC1CCCCC1)N(CCO)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID4113914,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1)NC1CCCC1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID663041,CC(C)CC(=O)Nc1nnn(C)n1
+,,,0.0,,,,,,,,,,,,,,CID4295875,COc1ccccc1-n1c(CNC(=O)c2ccccc2)nnc1SCC(=O)Nc1nnc(C)s1
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+0.0,,,,,,,,,,,0.0,,,,0.0,,CID5307396,COc1ccc(N2C(=O)C3CCCN3C2c2cccc(Br)c2)cc1
+,,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID777936,O=C1CCSc2cccc3cccc(c23)N1
+,,,,,,,0.0,,,,,,,,,,CID661719,O=C(O)CC(C(=O)OCCOc1ccccc1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID4393516,CCCCN(CCCC)c1nc(OC)nc(-n2nnc(C(C)=O)c2C)n1
+,,,,,0.0,,,,,,,,,,,,CID1999248,COC(=O)C(NC(=O)NCc1ccc(F)cc1)C(C)C
+,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,,CID2064352,Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1248551,Cc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1324553,COc1ccc(-c2cc(=O)oc3c(C)c(OC(=O)c4cccs4)ccc23)cc1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID652794,CCCCCCNC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,,,,,,0.0,,,,CID734342,COC(=O)c1ccc(CSCC(=O)Nc2ccccc2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID659309,CCCCCCn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21
+,,,,,,,,,,,,,,,0.0,,CID647983,CCCCCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2165730,O=C(NCCN1CCOCC1)c1c(F)c(F)c(F)c(F)c1F
+,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,CID1095124,CCc1ccccc1NC(=O)CN(c1cccc(OC)c1)S(C)(=O)=O
+,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,CID2121217,Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
+,0.0,,,,,,,0.0,,,,,,0.0,,,CID666717,CNC(=O)N(O)C1N(C)C(=O)N(Cc2ccccc2)C1(C)C
+,,,,,,,,,0.0,,,,,,0.0,,CID3243347,CC(C)CCN1CC(C(=O)NC(C)C)CC1=O
+0.0,,,,,,,,,0.0,,,,,,,,CID657610,CCc1nc(N2CCN(C(=O)c3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2
+,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,,CID663420,COc1ccc(/C=N/n2cnnc2)cc1COc1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID1601190,Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)NCCO
+,,,,,,,,0.0,,,,,,,,,CID1478735,NC(=O)c1ncc(C(F)(F)F)cc1Oc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID3244446,O=C(CCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID661359,Nc1cc(S(=O)(=O)C(F)(F)F)ccc1C(=O)O
+,,0.0,,,,,,,,,,,,,0.0,,CID649500,CCCOC(=O)Nc1nc2ccccc2o1
+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID2599287,COc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2C(C)C)cc1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID667128,Cc1cccn2c(=O)c3cc(C#N)c(=O)n(CCCN4CCOCC4)c3nc12
+,,,,,,,,,,,,,,0.0,,,CID1952303,O=c1nc(CN2CCNCC2)[nH]c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID290619,O=c1c2ccccc2c(-c2ccccc2)nn1Cc1ccccc1
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,,CID5307359,CCOc1ccc(Cn2nnc(C(=O)Nc3ccc(OC)cc3OC)c2N)cc1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID658856,COCCNCC(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,0.0,,,,,,0.0,,,CID832425,c1ccc2c(c1)ncn2-c1ncnc2sc3c(c12)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID2857252,C/C(=N\NC(=O)Cc1ccccc1)c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID5336170,O=C(Cn1nnc(-c2ccccc2)n1)NNC1=c2ccccc2=NC1=O
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID5307192,CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C
+,,,,0.0,,,,,,,,,,,,0.0,CID647857,CN(C)c1ccc(-c2nnc(-c3ccc(S(=O)(=O)C(F)F)cc3)o2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID5309518,Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)c(C)o1
+,,0.0,,,,,,,,,,,,,,0.0,CID3237740,COc1ccc(N2CCN(CCNC(=O)CCN3C(=O)COc4ccccc43)CC2)cc1
+0.0,,,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,CID2913839,Cc1ccc(C)c(N2C(=O)CC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C2=O)c1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID656266,COc1cccc(-n2nnnc2SCC(=O)NCc2ccco2)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID654908,CCCNC(=O)NCCc1ccncc1
+,,,,,,,,,,0.0,,,,,0.0,,CID655686,Cc1ccc(Cl)c2c1NC(=O)C2(O)CC(=O)c1ccccc1O
+0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,CID649137,CCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C
+,,0.0,0.0,,,,,,,,,,,,,,CID728682,CC(=O)c1cc(C#N)c(SCC(=O)OC(C)(C)C)nc1C
+,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0,CID2121177,CNC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1-c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID2630204,CC(C)Cn1c(N)c(C(=O)CSc2nnnn2C)c(=O)n(C)c1=O
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID666566,COc1ccc(CCN2/C(=N/C(=O)CCC(=O)O)SC3CS(=O)(=O)CC32)cc1OC
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID661179,Cn1c(=O)c2cn(-c3cccc4ccccc34)cc2n(C)c1=O
+,,0.0,,,,,0.0,0.0,,,,,0.0,,,,CID2967805,CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
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+,0.0,,,,,0.0,,,,,,,,,,,CID5308312,Cc1c(C(=O)O)cnc2cc(-c3ccc(Cl)cc3)nn12
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+,,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID645188,Cc1cc(C)c2c(N)c(S(=O)(=O)Cc3ccccc3)sc2n1
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+,,,,,,,,,,,0.0,,,,,,CID2024889,Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccc(F)cc1
+0.0,,0.0,,,0.0,0.0,,,,,,,,,,,CID5307467,CCOc1ccccc1N1CSC2=C(C#N)C(c3c(OC)ccc4ccccc34)CC(=O)N2C1
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+,0.0,0.0,,,,,,,,0.0,,,,,0.0,,CID3244286,CCC(Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N)C(=O)NCC1CCCO1
+,,,,0.0,,,0.0,,,,,,,,,,CID2953505,O=C(Nc1ccccc1)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1
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+,0.0,,,,,,,,,,,,,,,,CID889425,CCc1c(C)c2ccc(OCC(=O)N(C)C)c(C)c2oc1=O
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+,,,,,,,,,,,,,0.0,,,,CID2455830,Nc1nc(SCC(=O)c2ccc(Br)s2)n[nH]1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID753672,Cn1c(=O)c2cn(-c3ccccc3)cc2n(C)c1=O
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+,,,,,,,,,,0.0,,,0.0,,,,CID2226189,O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,0.0,CID3241448,CCOC(=O)C(C)n1nc(C)c2sc3ccccc3c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1147036,CCOC(=O)Cn1c(-c2ccccc2)nc2ccccc2c1=O
+,,0.0,,,,,,,,,,,,,,,CID743624,COc1ccc(OC)c(NS(=O)(=O)Cc2ccccc2)c1
+,,,0.0,,,,,,,,,,,,,,CID4362251,CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(NC3=NC4CS(=O)(=O)CC4S3)c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2829243,O=C(O)C1C2C=CC(C2)C1C(=O)Nc1nccs1
+,,,,,0.0,,,,,,,,,,,,CID695290,Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1
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+,,,,,,,,,,,0.0,,,,,,CID291267,CSc1c(-c2ccccc2)nc2ccccc2c1C(=O)O
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID3066874,CCCCn1c(NCCO)nc2ccccc21
+0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,CID2054017,CCc1nnc(NC(=O)CSc2ncnc3c2oc2ccccc23)s1
+,,,,,,,,,,,,,,1.0,,,CID4189325,COc1ccc(C2CC23N=C(c2ccccc2)OC3=O)cc1
+,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,CID2206454,CCn1ncc(CN2CCN(C(=O)Nc3ccccc3C(=O)OC)CC2)c1C
+,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,,CID1983138,COCCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
+,,,,,,,,,,,,,0.0,,,,CID1094937,CCOc1cc(S(=O)(=O)n2cnc(C)c2)ccc1Cl
+0.0,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID2999236,C=CCn1c(=O)/c(=C/c2ccc(C)o2)s/c1=C(\C#N)C(=O)c1ccccc1
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+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID4132226,CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1
+,,,,,,,0.0,,,,,0.0,,,,,CID5309206,CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,,,,,,,0.0,,,,,,,,CID1182908,CCOC(=O)c1sc(NC(=O)CN(CC)CC)c(C(=O)OCC)c1C
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID3244381,CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCCCCC4)c3)C(=O)C12
+,,,,,,,,,,,,,0.0,0.0,,,CID935161,CCOc1ccc(C(C)C)cc1S(=O)(=O)n1ccnc1C
+,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,,CID2770922,Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1120435,Cc1cccc2c1N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2
+,,,,,,,,,,,,,0.0,,,,CID2228893,CSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1C
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID687901,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1927680,Cc1cc(Oc2ccc(C#N)cc2)nc(NCc2ccccc2)n1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID1281902,Cc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID2499398,Cc1ccc(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID3570389,CCCCNC(=S)NNC(=O)c1csc2c1CCC(C)C2
+,,,,,,,,0.0,,,,,,,,,CID1486530,CCOC(=O)COc1ncn(-c2ccccc2)n1
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,0.0,CID653795,Cc1cc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C
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+,0.0,,0.0,,,,,,,,,,,0.0,,,CID2919881,O=C1CC(c2nc3ccccc3[nH]2)CN1c1ccccc1
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+0.0,,,,,,,,,,,,,,,0.0,,CID3245363,COc1ccc(Br)cc1CNC(=O)CCc1nc(-c2ccc(C)cc2)no1
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+0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,CID1283156,O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,,0.0,,CID3235880,COc1ccc(OC)c(NC(=O)C(CCS(C)(=O)=O)NC(C)=O)c1
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+,,,0.0,,,,,,,,,,,0.0,,,CID5309507,COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1
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+,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID644725,O=C(CCCCCN1C(=O)c2ccccc2C1=O)NC1CCCC1
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+,,,,,,,,,,,,,0.0,,,,CID754762,CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)cnn2c1C
+,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID655657,CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)nc1C
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+,,,,,,,,,,,0.0,,,,,,CID747239,NC(=O)c1ccc(-c2ncc(-c3ccccc3)o2)cc1
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+,,0.0,0.0,,,,,0.0,,,,,,,,,CID704996,Cc1n[nH]c(SCC(C)C)nc1=O
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID651845,CCn1c(SCC(N)=O)nc2ccccc2c1=O
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID668389,O=C(Nc1cccc(Br)c1)c1ccn[nH]1
+,,,,,,,,0.0,,,,,,,,,CID1634592,Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCO
+,,,,,,,,,,,,,,0.0,,,CID2526717,CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Cl)c2c1C
+,,,,,,,,,,,,,,,0.0,0.0,CID649546,COc1ccc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCCC4)cc3)nn2)cc1OC
+0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,CID1276278,O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccccc1Br
+,,,,,,,,0.0,,,0.0,,,,,,CID5389736,COC(=O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
+,,,,,,,,,,,0.0,,,,,,CID752006,O=C(Nc1ccc(Nc2ccccc2)cc1)N1CCOCC1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID653958,COc1ccccc1CNC(=O)c1cc2sccc2n1C
+,,,,,,,,,,,,,0.0,,,,CID2397339,O=C(O)c1ccccc1CSc1ncccc1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID2407544,O=C(N/N=C/c1ccncc1)NC1CCCCC1
+,,,,,,,,0.0,,,,,0.0,,,,CID372639,COC(=O)c1ccc(Cc2ccc(C(=O)OC)o2)o1
+,,,,,,,,,,,0.0,,,0.0,,,CID2449224,NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccc(F)cc1
+,,,,,,,0.0,,,,,,,,,,CID663296,Cc1cc(OC(=O)CCNC(=O)OC(C)(C)C)c2c3c(c(=O)oc2c1)CCC3
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2555127,O=C(Nc1ccccc1N1CCOCC1)c1cnccn1
+,,,,,,,,,,,0.0,,,,,,CID3241636,CCOC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID739818,O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,0.0,,,,,,CID2872337,Cc1nn(Cc2ccccc2)c2c1C(c1cccc(Cl)c1)C(C#N)=C(N)O2
+,,,,,,,0.0,,0.0,0.0,,,,,,,CID2093024,Cn1nc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c2ccccc2c1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1481599,CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(Cl)cc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID937480,C/C(=N\OCC(=O)Nc1nc2ccccc2s1)c1ccccc1
+,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID647388,CCCCS(=O)(=O)NC1=NCN(C2CCN(Cc3ccccc3)CC2)CN1
+,,,,,,,,,,,0.0,,,,,,CID988359,Cc1c(CCC(C)C)c(-n2ccnc2C)n2c(nc3ccccc32)c1C#N
+,,,,,,0.0,,,,,,,,,,,CID651835,CCN(CC)C(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID2865692,COc1ccccc1CC(=O)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID2904256,CCCC(C)C(=O)NCc1ccc2c(c1)OCO2
+,,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID752667,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CO
+0.0,,,,,,,,,,,,0.0,,,,,CID3239572,O=C(Nc1ccc(Cl)c(Cl)c1)N1CCC(N2CCCCC2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1825756,CCOCc1nnc(NC(=O)c2c(OC)cccc2OC)s1
+,,,,,,,,,,,,,,0.0,,,CID6379206,Cc1cc(C)cc(NC(=O)/C=C/c2ccc([N+](=O)[O-])s2)c1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID540386,CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1
+,,,,,,,,,,,,0.0,,,0.0,,CID3238901,COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)c(OC)c1
+0.0,0.0,,0.0,,,,,0.0,,,,,,,,,CID2152925,COC(=O)c1ccc(CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)o1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID3242459,O=C(CSc1nc2cc3c(cc2c(=O)n1CCC1=CCCCC1)OCO3)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2092060,COc1ccccc1N(CC(=O)NCC(C)C)S(=O)(=O)c1cccs1
+,,,,0.0,,,,,,,,,,,0.0,,CID1264516,O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2
+0.0,,,,,,0.0,0.0,,,,,,,,0.0,,CID654874,O=C(CN1CCN(c2ccccc2)CC1)Nc1nnc(-c2ccccc2)s1
+,,,,,,,,,,0.0,,,,,,,CID4462551,CCOc1ccccc1NC(=O)Cn1c(=O)c2ccccc2n(CC)c1=O
+,,,,0.0,,,,,,,,,,,,,CID655439,CCOC(=O)C1=C(C)NC(=O)NC1c1ccoc1
+,,,,,,,,,,,0.0,,,,,,CID1454820,Cc1cc2nc(CCN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)[nH]c2cc1C
+,,,,,,,,,0.0,,,,,0.0,,,CID4883751,COc1ccc(C)cc1-n1nnnc1SCC1CCCO1
+,,,,,,,,,,,,0.0,,,,0.0,CID3237062,Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
+,,,,,,,,,,,,,0.0,,,,CID16195579,COC(CNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccs1)OC
+,,,,,,,,,,0.0,,,,,,,CID4293311,CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID2411546,C=CCNC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
+,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,CID751373,CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,,,CID1318386,COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,CID649650,COCc1nnc(NC(=O)CSc2ccc(C)cc2)s1
+,,,,,0.0,,,,,,,,,,,,CID1068774,CCOC(=O)c1c(C)nc2c(c1-c1ccc(OC)cc1)C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,0.0,,,,CID1224965,CSc1ccc(Cl)c(C(=O)Nc2ccc(C)cn2)c1
+,,,,,,,,,,,,,0.0,,,,CID4276107,COc1ccc(NC(=S)N(Cc2ccc(C)cc2)Cc2ccccn2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2664711,Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2201268,CCOC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1N
+,,0.0,,0.0,,,,0.0,0.0,,,,,,,,CID1162920,COc1ccc2c(c1)c(CCN1C(=O)c3ccccc3C1=O)cn2C(=O)c1ccco1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID658800,CC1(NC(=O)C23CC4CC(CC(C4)C2)C3)CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID16187581,C=CCN(Cc1nc(-c2cc(OC)ccc2OC)oc1C)C1CCS(=O)(=O)C1
+,,,,0.0,,,,,0.0,,,1.0,,,0.0,,CID3236240,O=c1oc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)nc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID597213,CCOc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID3235586,CCCCCn1c(CCNC(=O)c2cccs2)nc2ccccc21
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID5307318,COc1ccccc1NC(=O)N(C1CCCC1)C1CCN(C(C)=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID3167980,Cc1ccc(OCC(=O)NNC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)cc1
+,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,CID977097,COc1cc(C(N)=O)ccc1OCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2913960,CC1CCN(c2cc(N3CCOCC3)c([N+](=O)[O-])cc2F)CC1
+,0.0,,,,,0.0,0.0,,0.0,,,,,,,,CID655091,O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID647149,O=C(O)c1cc2c([nH]c1=O)CCCC2
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID1121610,Cc1ccc(C(=O)NCCN2CCOCC2)cc1Cl
+,,,,,0.0,,,,,,,0.0,,,,0.0,CID5309062,O=C(c1ccco1)N1CCN(C(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)CC1
+,,,,0.0,,,,1.0,,,,,,,,,CID2375583,O=C(CSc1nnc(SCC(=O)c2ccco2)s1)c1ccco1
+,0.0,,,,,,,,,0.0,,,,0.0,,,CID3239320,CN(CCCNC(=O)c1ccc(N2CCCC2=O)cc1)c1ccccc1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID3243338,CCOC(=O)CC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)c1ccc(OCC)cc1
+,,,,,,,,,0.0,,,,,,,,CID2239694,CNC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C)ccc1OC
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID1329457,CCOc1cc(/C=N/n2cnnc2)ccc1OCC(=O)Nc1ccccc1OC
+,,0.0,,,,,,,,,,,,,,,CID2959607,N#CC1=C(N)N2C(=C(C#N)C13CCN(Cc1ccccc1)CC3)Nc1ccccc12
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID2838550,CCN(CC)C(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1
+,,,,,,,,,,0.0,,,,,,,CID712609,COc1ccc2oc(=O)c(C(=O)NCc3cccnc3)cc2c1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID3237963,CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=O)N1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID1296508,O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID1181921,O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)OCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1264121,O=C(Cn1nnc(-c2ccccc2)n1)N1CCN(c2ccc(F)cc2)CC1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID666173,NCCCCCc1nnc(SCC(=O)c2ccc(Cl)cc2)o1
+0.0,0.0,,,,,,,,,,,,,0.0,,,CID663295,c1coc(-c2nnc3sc(Cc4cccs4)nn23)c1
+,,,,,,,,,,,,0.0,,0.0,,,CID2390784,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccncc2)c1C
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID666701,CC(=O)NCCCc1c[nH]c2ccc(Cl)cc12
+,,,,,,,,,,0.0,,,,,,,CID664492,CCc1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1
+0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID755368,CC(=O)c1c(C)cc(C)c(CSc2nc(=O)cc(C)[nH]2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID893383,O=S(=O)(NC1CCCC1)c1ccc(Br)s1
+,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,CID2529929,CCn1c(SCc2ccc(C(=O)OC)o2)nc2sc3c(c2c1=O)CCCC3
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID3241876,COc1cc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID3661786,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1c[nH]c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2221477,COc1cc(C)ccc1OCCON1C(=O)CCC1=O
+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,CID2874229,COCCOC(=O)C1=C(C)NC(=O)NC1c1cccs1
+,,,0.0,,,,,,,,,,,,,,CID1245253,O=C(c1cccc(C(F)(F)F)c1)N1CCCCCC1
+,,,,,,,,,0.0,,0.0,,,,,,CID2197185,COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1
+0.0,,0.0,,,,,,,,,,,,0.0,,0.0,CID219776,Clc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1141912,COc1cccc(/C=N/NC(=O)c2c(C)nc3ccc(Br)cn23)c1
+,,,,0.0,,,,,,,,,,,,,CID658819,COc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID5389943,COc1ccc(C2CC(c3ccc(Cl)cc3)N=C3N=C(NC(=O)c4ccco4)NN32)cc1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID721987,COC(=O)CCC(=O)Nc1ccccc1C(N)=O
+,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,,CID3242175,O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1nccs1
+,,,,,,,,,0.0,,,,,,,,CID1092886,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1C
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID647412,CCOC(=O)N1CCC(NCCNC(=O)c2cccs2)CC1
+,,,,,,,,,0.0,,,,,,,,CID647824,CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
+,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,,CID974207,NC(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16193552,CN1C(=O)CSc2ccc(NC(=O)NCc3ccccc3)cc21
+,,,,,0.0,,,,,,,,,,,,CID1851279,Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccco4)ccc3o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2083989,COC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID9550264,CCOC(=O)c1ccc(-n2c(C)nc3c(cnn3-c3ccccc3Cl)c2=O)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID5308299,COC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,CID805203,CCOC(=O)N1CCN(C(=O)CSc2ccc(Cl)cc2)CC1
+,,,,,0.0,,,0.0,,,,0.0,,,,,CID3243226,O=c1[nH]n(-c2cccc3cccnc23)c(=O)c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID3237652,COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc(C)c(F)c3)CC2)cc1
+0.0,,,,,0.0,0.0,,,,,,,,,,0.0,CID5308100,Cc1nc2ccccc2c2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc12
+,0.0,,,,,,,,,,,,,,,,CID2981851,O=C(CSc1nnc(-c2ccco2)o1)NC1CC2CCC1C2
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID1303068,O=c1nc(N2CCOCC2)ccn1Cc1ccc(Br)cc1
+,,,,,,,,0.0,,,,,,,,,CID1472814,COC(=O)Cc1cc(=O)n2[nH]cnc2n1
+,,,,,,,0.0,,,,,,,,0.0,,CID2162893,CCOCC(=O)Nc1cccc(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID99331,Cc1cc(NC(=O)Nc2ccc(F)cc2)no1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID1084671,O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1
+,0.0,0.0,0.0,,,,,0.0,,,,,,,,,CID647006,O=C(Nc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CC2
+,,,0.0,,,,,,,,,,,,0.0,,CID2106091,CCOC(=O)Nc1ccc2c(CN3C(=O)NC4(CCCC4)C3=O)cc(=O)oc2c1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID4091023,CN(C)S(=O)(=O)c1ccc(C(=O)OCCCNC2=NS(=O)(=O)c3ccccc32)cc1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID1314430,CCc1ccccc1N(CC(=O)Nc1cccc(N(C)S(C)(=O)=O)c1)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID1368010,Cc1ccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)cc1C
+,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,CID2998718,CSc1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccco4)C3)cc2s1
+,,,,,,,,,,,,,,0.0,,,CID1827281,N#Cc1cc([N+](=O)[O-])c(-n2nnc3ccccc32)c([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID2938921,COc1ccc2c(c1)Cc1sc(NC(=O)c3ccco3)nc1-2
+,,,,,,,,,0.0,0.0,,,,,,,CID975129,COC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(O)cc12
+,,,,,,,,,,,0.0,,,0.0,,,CID2325119,N#CC1=C(N)N(c2ccccc2)C(=O)C1
+,,,,,,,,,,0.0,,,,,,,CID1520366,Clc1ccccc1OCc1nc(-c2ccc(Br)o2)no1
+,,,,,,0.0,,,,,,,,,,,CID2971870,CC12C(=O)N(c3nccs3)C(=O)C1C1C=CC2C1
+,,,,,,,,,,,,,0.0,,,,CID849531,COc1cc2c(cc1OC)C(=O)CCS2
+,,,,,,,,,,,0.0,,,,,,CID2855266,CC(CNc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br
+,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,CID701527,Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)c(C)o1
+,,,,,,,,,0.0,,,,,,,,CID2997458,O=C1CC(c2cccnc2)c2cc3c(cc2N1)OCO3
+,,,,,,,,,,,,,,0.0,,,CID7207422,O=C(CSc1ccc(-c2ccncc2)nn1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2163064,O=C(CCCOc1ccccc1)Nc1ncccn1
+,,,,,,,,,,,0.0,,,,,,CID662168,CN(C)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1
+,,,,,,,,,,,,,0.0,,,,CID9547812,Cc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID666648,Cc1ccnc(SCCn2c(N3CC(C)CC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID976504,CCC(=O)n1nc(-c2ccco2)nc1SCc1ccccc1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID2932359,O=C(NCCCn1ccnc1)C(F)(F)C(F)(F)C(=O)NCCCn1ccnc1
+,,,,,,,,,0.0,,,,,,,,CID2768368,COc1ccc(S(=O)(=O)NNC(=O)c2csc(-n3nc(C)cc3C(F)(F)F)n2)cc1OC
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,,CID5307934,O=C(Cn1c(=O)sc2ccccc21)NCc1ccccn1
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+0.0,,0.0,,,,,0.0,,,,,,0.0,,,,CID1378506,CCOC(=O)CSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2
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+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID650101,CC1(C)Cc2ccccc2-c2nnc(-c3cccnc3)n21
+,,,,,,,,,,,,,0.0,,,,CID773500,O=C(Nc1ccc(Br)cc1F)c1cccnc1
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID803562,COc1ccc(-c2noc(-c3ccc(Cl)cc3)n2)cc1
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+,,,,,0.0,,,,,,0.0,,,0.0,,,CID5310075,CC1CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC(C)O1
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+,0.0,,0.0,,,,0.0,,0.0,,,,,,,,CID646345,O=C(c1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccccc2F)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID738691,Cc1cc(O)c(NC(=O)c2ccc(Br)o2)cc1C
+,,,,,,0.0,,,,,,,,,,,CID3237346,Cc1cccc(C2N(c3nccs3)C(=O)C3CCCN32)c1
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+,,,,,,,,,,,,,0.0,,,,CID9550203,N/C(=N\OC(=O)c1ccco1)c1cccc(Br)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID3142121,O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1nccs1
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+,,,,,,,,,,,,,,0.0,,,CID793640,COc1ccc(/C=C2/C(=O)OCc3cc(OC)c(OC)cc32)cc1
+,,,,,,,,,,,,,,,0.0,,CID2998109,NC(=O)NC(Cc1ccccc1)C(=O)NCC1(N2CCCCC2)CCCCC1
+,,,0.0,,,,,0.0,,,,,,,,,CID2997732,CCC(=O)N/C=C/n1cnc2cc(C(F)(F)F)ccc21
+,,,,,,,0.0,,,0.0,,,,,,,CID5739176,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1
+0.0,,,,,,,,,,,,,,,,,CID5309595,COc1cccc(NC(=O)n2nc(N)cc2-c2ccc(Cl)cc2)c1
+,0.0,,,0.0,,,,,,,,,,,,,CID651054,CCn1nnnc1SCC(=O)Nc1nnc(C(C)C)s1
+,,,,,,,,,,,,,0.0,,,,CID1476725,O=C/C(=N\Nc1ccccc1Cl)C(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1313207,CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)N(C)C)c1C
+,,,,,,,,,,,,,,,,0.0,CID2603870,O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1C(F)(F)F
+,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,CID897030,Cc1ccc(C(=O)NC2CCCCCC2)o1
+,,,,,,,,,,,,,0.0,,,,CID5115067,c1ccc(-c2csc3ncnc(NCC4COc5ccccc5O4)c23)cc1
+,0.0,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID2116123,O=C(NCCc1c[nH]c2ccccc12)c1ccc(-n2cnnn2)cc1
+0.0,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID663400,O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(Cl)c1
+,,,,,,,,0.0,,,,,,,,,CID5383969,CC1=C(/C=C/C(=O)O)C(C)(C)CCC1
+,,,,,,,,,,,,,0.0,1.0,,,CID1480156,Cc1cccc(C(=O)O/N=C2\CCS(=O)(=O)c3sccc32)c1
+,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID892592,CCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F
+,,,,,0.0,,,,,,,,,0.0,,,CID921904,Cc1cc(Oc2ccc(C#N)cc2)nc(N2CCOCC2)n1
+,,0.0,,,,,,,,,,0.0,,,,,CID659292,CCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C
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+,,,,,,,,,,,0.0,,,,,,CID6404508,Clc1ccc(CSc2cc3c(nn2)-c2ccccc2CC3)cc1
+,,,,,,0.0,,,,,,,,,,,CID2193777,CN1C(=O)C(C2(C#N)CCCCC2)C(=O)N(C)C1=O
+,,0.0,,,,,,,,,,,,,,0.0,CID2999040,O=C(NCCCn1ccnc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
+,,,0.0,,,,,,,,,,,0.0,,0.0,CID548802,O=C1C2C3C=CC(C3)C2C(=O)N1CCCO
+,,,,,,,,,,,,,0.0,0.0,,,CID1477664,Cc1nc(-c2ccccc2)sc1C(=O)CSc1ccc(Cl)cc1
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID655901,O=C(c1ccco1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1
+,,,,,,,,,,,,0.0,0.0,,0.0,0.0,CID585566,O=C(O)c1cccc(Cn2cc(Cl)cn2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID732542,CC(C)(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID470910,COc1ccc(CNC(=O)c2cnccn2)cc1
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID3243715,COc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID4119256,COc1ccc(C(=O)Nc2c(N)[nH]c(SCC(=O)N3CCC(C)CC3)nc2=O)cc1OC
+,,0.0,0.0,,,0.0,,,,,0.0,,0.0,0.0,,1.0,CID891839,Cc1cc(C)n(S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
+,,,,,,,0.0,0.0,,,,,,,,,CID652881,CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)C)C3CCCC3)N12
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID648850,CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1
+,,,,,,,,,,,,,,0.0,,,CID5337455,COc1cc2c(cc1OC)C1(N=C3C2=C(c2ccccc2)NN3c2ccccc2)C(=O)Nc2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID5504419,CC(C)(C)c1ccc(C(=O)NC2=NONC2=C2N=c3ccccc3=N2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1166029,COc1ccc(CNC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID3244387,Cc1ccc(NC(=O)CCn2nc(C)cc2C)c(C)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID3188518,O=C(NCc1ccccc1)C(c1cccs1)N(Cc1cccs1)C(=O)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID3127041,Cc1cccc(C)c1NC(=O)C(=O)NCCOc1ccc(Cl)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID645691,Cn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccco1
+,,,,,,,,,,,0.0,,,0.0,,,CID3122810,Cc1cccc2nc(CSc3ccccc3N)cn12
+,,,0.0,,,,,,0.0,,,,,,,,CID740558,S=c1[nH]ncn1-c1ccccn1
+,,,,,,,,0.0,0.0,,,,,,,,CID2168477,CC(=O)c1ccc(NC(=O)CCSCCC(=O)Nc2ccc(C(C)=O)cc2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3243146,COc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5389035,C/C=C/Cn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID834348,Cc1ccc(OCC(=O)N2CCOCC2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID3318359,CC(C)c1ccc(S(=O)(=O)/N=C2\C=C(Sc3ncn[nH]3)C(=O)c3ccccc32)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,CID2121674,CCn1c(SC(=O)NC2CCCCC2)nnc1-c1cccs1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID2177226,COCCCn1c(-c2ccccc2)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1471639,N#Cc1cccc(/N=c2/ssnc2Cl)c1
+,,,,,,,,0.0,,,,,,,,,CID2122819,COc1ccc(/C=C/C(=O)NNc2c(F)c(F)cc(F)c2F)cc1OC
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID2334577,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1Cc1ccccc1
+,,,,,,,0.0,0.0,,,,,0.0,0.0,,0.0,CID2772708,COc1ccc(OCCSc2nc3ccccc3n2CC(=O)O)cc1
+,,0.0,,,0.0,,,0.0,,,,,,0.0,,,CID1721009,CCCOC(=O)c1ccc(OC(=O)c2ccco2)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID2942137,O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)NC1=NCCS1
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID3241909,Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)o2)CSC3)c(C)c1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2055188,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Br)o1
+,,,,,,,,,0.0,,,0.0,,,,,CID2967331,CCOC(=O)C1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID661852,Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1CC1CCCO1
+,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,CID663510,COC(=O)C(Cc1ccccc1)NC(=O)N1CCCCC1C
+,,,,,,,,,,,1.0,,0.0,,,,CID756692,CC1CCN(c2ncnc3nc[nH]c23)CC1
+,,,,,0.0,,,,,,,,,,,,CID3245406,O=C(CCn1cccc1)NCc1ccccc1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID4537203,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4scc(C)n4c3=O)cc2)c1C
+,,,,,,,,,,0.0,,,,0.0,,,CID761074,Cc1ccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)o1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID2843865,CC(C(=O)N1CCN(C)CC1)N1C(=O)c2ccccc2C1=O
+,0.0,,,,0.0,,,,,,,,,,,,CID5638194,N#CC(C(=O)COC(=O)Cc1c[nH]c2ccccc12)=C1Nc2ccccc2N1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,CID650946,COC(=O)c1sc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)nc1C
+,0.0,,,,,,,,,,,,,,,,CID676139,CN(C)c1nc(N)nc(Cn2ccnc2)n1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,CID957649,Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1
+,,,0.0,,,,,,,,,,,,,0.0,CID3244123,CCc1ccc(-c2nc(CS(=O)CC(=O)NCc3cccnc3)c(C)o2)cc1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID5390022,CCOC1=CC(=O)/C(=C2\NC(N)=NC=C2c2ccccc2)C=C1
+,,0.0,,,,,,,,,,,,,,,CID652367,COC(=O)CCC(NC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C)C(=O)OC
+,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,CID746485,O=c1ccnc(S/C=C/c2ccccc2)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID1632802,O=C(NCCCO)c1ccc(CSc2nc3ccccc3[nH]2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID965332,CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(C)cc1
+,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,CID3236222,CN(C)c1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID3243436,O=C(NCC(c1cccnc1)N1CCOCC1)Oc1ccccc1
+,,0.0,,,,,,,0.0,,,,0.0,,,,CID1259392,COc1ccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2380591,Cc1cc(C(=O)NCC(=O)OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID557198,CCc1ccccc1NC(=O)C(=O)NCc1ccco1
+,0.0,,0.0,,,,,,,,,,,,,,CID660208,COC(=O)Cn1c(C)nc2c(sc3nc(C)cc(C)c32)c1=O
+,0.0,,,,,,,,,,,,,,,,CID647816,O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCCCC1
+,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,0.0,CID666593,Cc1cc(Nc2ccccc2N2CCOCC2)n2ncnc2n1
+,0.0,,,,,,,,,,,,,,,,CID895441,Cc1ccc(Cn2ncc3c(N4CCCC4)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID3218535,CC(C)CNC(=S)N1CCC(NC(=O)c2ccco2)CC1
+,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,,CID654994,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccc(OC)c3)CC2)cc1
+0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,,CID646011,CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1904597,COc1cccc(N2C(=O)NC(=O)/C(=C\c3ccc([N+](=O)[O-])s3)C2=O)c1
+0.0,,0.0,,,,,0.0,0.0,,,,,,,0.0,1.0,CID658825,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16195476,COc1ccc(CCNC(=O)C2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID990853,COc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1
+0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID666053,O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCCCC2)n1
+,,,0.0,,,,,,,,,,,,,,CID5323,COc1cc(NS(=O)(=O)c2ccc(N)cc2)nc(OC)n1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID623769,O=C1c2ccccc2C(O)(Cc2ccccc2)N1CCCN1CCOCC1
+0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID650486,Cn1c(CNC(=O)Nc2ccccc2)nnc1SCc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID3237674,CCOC(=O)CNS(=O)(=O)c1c(C)noc1C
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID616809,CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1cccnc1
+,,,0.0,0.0,,,,,,,0.0,,,,,,CID2229309,COc1cc(SC)ccc1C(=O)NCCCOC(C)C
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+,,0.0,,,,,,0.0,,,,,,,,,CID754420,Nc1nnc(SCc2cc3c(cc2Cl)OCO3)s1
+,,,,,,,,,0.0,,,,,,,,CID2937723,CC(CC1CC(C)(C)OC1=O)C(=O)Nc1nncs1
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+,,,0.0,,,,,,0.0,,,,,0.0,,,CID2291042,Nc1cc(N)nc(SCCOc2ccccc2)n1
+,,,,,,,,0.0,,0.0,,,,,,,CID857537,CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1
+0.0,,,,,,0.0,,,,,,,,0.0,0.0,,CID900714,O=C(c1nc2ccccc2s1)N1CCN(c2ccccn2)CC1
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+0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID535805,Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3240281,COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(CCO)CC4)ncnc32)cc1
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+,,,,,,,,,,0.0,,,,,,,CID4442989,Nc1ccc(C23CC4CC(CC(CO)(C4)C2)C3)cc1
+0.0,,,,0.0,,,0.0,,,,0.0,,,,,,CID666684,Cc1cc(=O)oc2cc(OCC3CC(c4ccc(N(C)C)cc4)=NO3)ccc12
+,,,,,,,,0.0,,,,,,,,,CID1072948,O=C(Nc1ccccc1)Nc1ccc2snnc2c1
+,,,,,0.0,,,,0.0,,,,,,,,CID4880718,Cc1sc2ncnc(NCC(c3ccco3)N3CCCC3)c2c1C
+,0.0,,0.0,,,,,,,,,,,,,,CID664696,Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1
+,,,,,,,,,,,,,,0.0,,,CID4884859,Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c([N+](=O)[O-])n1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID2997935,N#CCCn1nc(-c2ccccc2)cc1Nc1ccccc1NC(=O)c1cccs1
+,,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID2306612,Cc1cc(=O)nc2n(-c3ccccc3)[nH]c(C)c1-2
+,,,,,,,,,,,,,,0.0,,,CID2375307,O=C(NC(=S)NCc1nc2ccccc2[nH]1)c1ccc(F)cc1
+,,0.0,,,,,,,,,,,,,,,CID666643,CCCc1nc2oc3c(NCCOCCO)ncnc3c2c2c1COC(C)(C)C2
+,,,,,,,,,,,0.0,,,,,,CID573613,CC(C)(C)N(C=C(Cl)Cl)C(=O)NC1CCCCC1
+,,,,,,,,,,0.0,,,,0.0,,,CID4547303,COC(=O)c1ccc(Sc2ccc(Cl)cc2)c(N)c1
+,,,,,0.0,,,,,,,,,,,,CID11958460,COc1ccccc1Nc1nc(-c2sc(NC(=O)CC(C)C)nc2C)cs1
+,,,,,0.0,,,,,,,,,,,,CID4426017,Cc1ccccc1N1CCN(C(=O)c2ccccc2NC(=O)C2CC=CCC2C(=O)O)CC1
+,,,,,,,,,,,,,,0.0,,,CID1475735,COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(=O)oc1C
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID657494,C=C(C)c1ccc(C(C)(C)NC(=O)NCc2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2956118,Cc1cc(C)nc(N2C(=O)CC(Cc3ccccc3)C2=O)n1
+0.0,,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID2060907,OCc1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2
+,,,,,,,0.0,,,0.0,,,,,,,CID2997405,O=C(O)CC1C(=O)NCCN1CCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID9551168,Cc1oc(-c2ccccc2Cl)nc1Cn1cccc1C1=NC(c2ccccc2)CO1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID656302,CCOC(=O)Cn1c(C)c(C#N)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1040046,Cc1ccc(O)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2208742,COC(=O)c1ccc(NC(=O)CSCc2ccccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2526489,COc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1S(=O)(=O)N1CCCC1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2293541,Cc1cc(C)c(S(=O)(=O)NCCCN2CCOCC2)cc1Br
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID661704,CC(C)OC(=O)C(CC(=O)O)NCc1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID804241,O=C(Nc1ccc2ccccc2c1)Nc1ccc2snnc2c1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID721955,COC(=O)CCC(=O)Nc1ccc(NC(=O)CCC(=O)OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID1328564,O=C(CCC1CCCCC1)Nc1ccccc1-c1ccccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID666899,O=C(CCn1nnc2ccccc2c1=O)NCC1CCC(C(=O)O)CC1
+,,,,,,,,,0.0,,,,,,,,CID2952561,COc1ccc(OC(C)C(=O)Nc2cccnc2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID3244443,CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1cccc(C)c1
+,,,,,0.0,,,,,,,0.0,,,,,CID5389793,CCN(CC)CCCN/C=C1\C(=O)NC(=O)N(Cc2ccc(F)cc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID2766428,COC(=O)c1sccc1-c1ccc(C(=O)Nc2cccc(Cl)c2)o1
+,,,,,0.0,,,,,,,,,,,,CID778154,Cc1cccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)c1
+0.0,,,,0.0,,,,,,,0.0,,,,0.0,,CID664342,CCCCCc1c(C)[nH]c(N2CCc3ccccc32)nc1=O
+,,,,,,,,,,,,,,0.0,,,CID2131619,O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccc(F)cc1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID650632,O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CC(=O)O
+,0.0,,,,,0.0,,,,,,,,,,,CID3245058,CCOC(=O)N1CCC(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5309115,Cc1ccc(N(CC(=O)N2CCN(c3ccc(F)cc3)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2217887,N#Cc1ccc2ccn(CC(=O)NCc3ccco3)c2c1
+,,,,,,,,,,,,,,0.0,,,CID708004,Cc1onc(-c2ccccc2)c1C(=O)N1CCC(C)CC1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID665973,CCN(CC)C(=O)CSc1nnc(-c2cnccn2)n1-c1ccccc1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID2997545,O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)OCc1nc2ccccc2s1
+,,,0.0,,,,,0.0,0.0,,,,,,,0.0,CID3239775,CCOc1ccc(N(CCC#N)S(=O)(=O)c2ccc(OC)cc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2849750,Cc1ccc(C)c(/N=N/c2nc3ccccc3n2C)c1
+,,,,,,,,0.0,,,,,,,,,CID2066140,O=C(CCCN1C(=O)c2ccccc2C1=O)NC1CCCCCC1
+,,,,,,,0.0,,,,,0.0,,,,,CID3244077,CCOc1ccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC
+,,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID644962,Cc1nnc(NC(=O)C2CCCN(S(=O)(=O)Cc3ccccc3)C2)s1
+,,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID2125710,COc1cc(CC(=O)N2CCc3ccccc32)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2358736,O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID5389527,COc1ccc(CCN2C(=O)NC(=O)/C(=C\NC3CC3)C2=O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1207745,O=C1c2ccccc2C(=O)C1c1ccnc2ccccc12
+,0.0,0.0,,,,,,,,,,,,,,,CID4071808,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ncccn2)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID44093,CC(CS)C(=O)N1CCCC1C(=O)O
+,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,,CID1245915,Cc1noc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3646506,Cc1ccc2[nH]cc(C(=O)CN3CCN(C)CC3)c2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID704283,CC(C)CC(=O)N1CCN(C(=O)c2cccc(F)c2)CC1
+,,,,,,,,,,,,,,,0.0,0.0,CID663854,COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)CN1CCCCC1C
+,,,,,0.0,,,,,,,,,,,,CID1985403,CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OS(=O)(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID2131944,CCCCNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(OC)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2838038,CC(C)c1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
+0.0,,,,,0.0,0.0,0.0,,,,,,,,,0.0,CID645052,O=C(c1cccs1)N(Cc1ccccn1)Cc1ccco1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID677549,O=C(COc1ccccc1O)Nc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID3244447,CC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21
+0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,CID2309247,O=c1nc(-c2ccccc2)n(-c2ccccc2)c2ncccc12
+,,,,,,,,,,,,,,0.0,,,CID4204383,O=C(CN1CCN(Cc2ccccc2F)C1=O)NC1CCCC1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID2228394,O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID1430426,CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1
+0.0,,,,,,,,,,0.0,,,0.0,,0.0,0.0,CID3238335,N#CCSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID4888164,CC1CCCCC1N1CN=C(Nc2nc3ccccc3s2)NC1
+,,,,,0.0,0.0,,,,,,,0.0,0.0,,,CID661889,C=CCOc1nc(-c2ccncc2)nc2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID3236411,O=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1)C1CC1
+,,,,,,,0.0,0.0,,,,,,,,,CID665602,COc1ccc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc1OC
+,,,,0.0,,,,0.0,,,,,,,,,CID3242232,CCn1cc(C(=O)NCCN(C)CCc2ccccc2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,0.0,,,,,,,,,,0.0,CID2560168,Cc1csc(=O)n1CC(=O)OCc1cccc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2463084,Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1-c1ccc(OC(F)F)cc1
+0.0,,0.0,,,0.0,,,,,,0.0,,,,,,CID818063,CCOc1ccccc1-c1nc(SCC(=O)O)n[nH]1
+,,,,,,,,0.0,,,,,0.0,,,,CID2815568,Cc1onc(-c2ccccc2)c1C(=O)NCC1COc2ccccc2O1
+,,,,,,,0.0,,,0.0,,0.0,,0.0,,,CID652349,CC1=C(C)C(=O)N(c2ccccn2)C1=O
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID746376,COc1ccccc1N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5049740,CCOC(=O)c1ccc2c(c1)nc(COc1ccc3ccccc3c1)n2CC
+,,,,,,0.0,,,,,,,,,,,CID612174,CCn1c(=S)sc2nc(C)sc21
+,,,,,,,,,,0.0,,,,,,,CID9551046,COc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2224200,CCCNc1c(N)n(-c2ccccc2)c(=O)[nH]c1=O
+,,0.0,,,,,,,,,,,,,0.0,,CID3237063,Cc1ccccc1-c1nc(CN2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)o1
+,,,,0.0,0.0,0.0,,0.0,,,,,,,,,CID3241610,CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1cccs1
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID652775,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cc2ccc(C)cc2[nH]c1=O
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID3242894,CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(OC)c(OC)c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1487869,O=C(O)c1cn(-c2ccccc2)c(=O)c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID690934,O=c1oc(-c2cccc(Cl)c2)nc2c1cnn2-c1ccccc1
+0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,CID3239961,COc1ccc(N2CCC(CNC(=O)Nc3ccc(OC)cc3OC)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2099902,O=C(CCCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,0.0,,0.0,,,,CID850089,Cc1ccc(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
+,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID648054,CCOc1ccc2nc(-c3ccccc3)[nH]c2c1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID895379,Cc1ccc(C)n1NC(=O)c1ccc(Cl)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID663423,Cc1nc(NC2=NCN(C3CCCCC3C)CN2)nc2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID3244802,COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)sc2c1
+0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID664322,Cc1noc(COc2ccccc2OCC(N)=O)c1Cl
+,,,,,,,,,0.0,,,,,,,,CID3387518,CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1cccc(C(F)(F)F)c1)n2CC
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID660026,COc1ccc(CSc2nnc(C)n2N)cc1Br
+0.0,,,,,,,,,,,,,,,,,CID5308678,Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
+,,,,,,,,,,,,,0.0,,,,CID2436329,O=C(NNS(=O)(=O)c1ccc2ccccc2c1)c1cc(-c2ccccn2)nc2ccccc12
+,,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID1245715,Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)o1
+,0.0,0.0,,,,,,0.0,,,0.0,,,,,,CID646523,O=C(CSc1n[nH]c(=O)[nH]c1=O)c1ccccc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3211599,COc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccncc1
+,,,,,0.0,0.0,,,,,,,,,,,CID2346927,C=CCn1sc(N)c(C(=O)OCC)c1=S
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID3236706,OC(C#Cc1ccccn1)c1cccs1
+0.0,,,0.0,,0.0,,,,,,0.0,,,,,0.0,CID3237583,CCOc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)c1OCC
+,,,,,,,0.0,,,,,,,,,,CID1293926,COc1ccc(-n2c3c(cc(C(=O)Nc4ccc5c(c4)C(=O)NC5=O)c2=O)C(=O)CCC3)cc1
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID974720,C=CCn1c(SCC(N)=O)nc(C)cc1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID1108211,Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID655741,COc1cccc(C(=O)NC2CCN(C(=O)N3CCCCC3)CC2)c1
+,0.0,,,,,,,,0.0,,0.0,,,,0.0,,CID746910,COc1cc(N(C)C)c(NC(C)=O)cc1C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID3707642,CCOC(=O)N1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(F)c(F)c3)c2)CC1
+,0.0,,,,,,,,,0.0,0.0,,,0.0,,,CID793776,Cc1c(C#N)c2ncnc(-c3ccccc3)c2n1-c1ccccc1
+,,,,,,0.0,,,,,0.0,,,,,,CID912604,Cc1cc(C)cc(C(=O)n2cnnc2N)c1
+0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0,CID651323,COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,,0.0,CID805900,CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl
+,,,,,,,,,,,,,,0.0,,,CID2188800,CC(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1210756,Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccc3F)CC2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1120958,COc1ccc(C(=O)Nc2nc(-c3cccs3)c(NC(C)=O)s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2527478,Cc1csc(Sc2ccc(S(=O)(=O)N3CCCC3)cn2)n1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID2312946,CN(C(=O)c1c(Cl)nc2sccn12)C1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID4987031,c1csc(-c2nnc(Cc3cccc4ccccc34)o2)c1
+,,,,,,,,,,,0.0,,,,,,CID663603,Nc1c(C(=O)OCC2CCCO2)c2nc3ccccc3nc2n1C1CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID3243213,O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCC1CCCO1
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID5309275,Cc1cc(C)cc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)noc2C)c1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID898637,Cc1occc1C(=O)n1nnc2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID5741883,Cc1ccc(NC(=O)C2C3C=CCCCCC32)cc1C
+,,,,,0.0,,,,,,,,,,,,CID5344373,Cc1nc2ccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)cc2nc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1767537,C=CCNC(=O)CSc1cc([N+](=O)[O-])cc(S(=O)(=O)Cc2ccccc2)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID891692,O=C(NCc1ccco1)c1ccc(COCC(F)(F)F)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID658155,O=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F
+,,,,,0.0,,,,,,,,,,,,CID1242853,O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)NC1CCCCC1
+,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,CID2369673,CCOc1ccc(-c2nnc(N)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1383914,Cn1c(=O)c2c(nc(N3CCN(c4ccccn4)CC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O
+,,,,,,,,0.0,,,,,,,,,CID3000060,CC(=O)N1CCN(C(=O)CNc2cc(C(F)(F)F)ccc2OCC(F)(F)F)CC1
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID660497,Cc1ccc(C(=O)C2C(c3cccs3)NC(=O)NC2(O)C(F)(F)F)cc1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID1490550,Clc1ccc2c(NCc3ccco3)ncnc2c1
+,0.0,0.0,,,,,,,,,,,,,,,CID651753,O=C(NC1=NCCS1)c1cccs1
+0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,CID654477,O=C(CCn1nnc2ccccc21)Nc1nnc(COc2ccc(F)cc2)s1
+,,0.0,,,,,,,,,0.0,,,,,,CID660311,O=C1NC(=O)C(c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)N1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,CID3747,CC(C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
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+,,,,,,,,,,,,,,0.0,,,CID3665777,CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(C#N)cc2)c1
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+,,,,,,,,,,,,,,0.0,,,CID3223132,Cc1ccc(OCC(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cc1
+0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,,CID2976325,Cc1cc(C)nc(SCC(=O)NC2=NC(=O)C(C)S2)n1
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+,,,,,,,,,,,,,0.0,,,,CID796971,O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2286593,COc1cc(/C=N/O)cc(Br)c1OS(=O)(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID3917723,Cc1ccc(OCCNc2cc(N3CCN(C)CC3)ccc2[N+](=O)[O-])cc1C
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+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,,CID1259406,COc1cc(C)c(Br)cc1S(=O)(=O)N1CCCC1
+,,,,,,,,,,0.0,,,,,,,CID1317272,COc1ccc(OC)c(N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)S(C)(=O)=O)c1
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+,0.0,,,,,,,0.0,0.0,,,,,,,,CID2997586,Cn1ccnc1-c1nc2ccccc2[nH]c1=O
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+0.0,,,,,,,,,,,,,,,,,CID3236433,COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1
+,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,0.0,0.0,CID5390038,CC1=C(C(=O)NCc2ccccc2)C(c2cccs2)N2NC=NC2=N1
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+,0.0,,,,,,,,,,0.0,0.0,,,,,CID834799,CC(C)CC12CN3CCN(CC(C3)/C1=N\O)C2
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+,0.0,,,,,,,,,,,,,,,,CID2837843,O=C1CC(N(O)c2ccccc2)C(=O)N1Cc1ccccc1
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+,,0.0,,,,,0.0,,,,,,0.0,,,,CID5389238,COc1ccc(C2/C(=C(/O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCCN2CCOCC2)cc1
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+,,0.0,,,,,,,,,,,,,,,CID2081130,CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n[nH]c1=O
+0.0,,,,,,,,,,,,,,,,,CID3237686,COc1ccc(CCNC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1OC
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+,,,,,,,,,0.0,,,,,,,,CID653823,O=C(Cn1nnc(-c2ccncc2)n1)N(C1CCCCC1)C1CCCCC1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,,CID664550,CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(C)n3)c2)CC1
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID2110684,O=C(CCC(=O)N1CCCc2ccccc21)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID2963610,c1ccc(-n2c(SCC3CCCCO3)nnc2-c2cnccn2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID1221726,Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID7206179,O=C(CSc1ccc(-c2ccc(F)cc2)nn1)Nc1ccc2c(c1)OCCO2
+,,,,,,,0.0,,,,,,,,,,CID5389165,O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C/NCCCn1ccnc1
+,,,,,0.0,,,,0.0,,,,,,,,CID2578452,CCOC(=O)CCCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID3921371,O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccc([N+](=O)[O-])cc2)N1
+,,,,,,,,,,,,,0.0,,,,CID2830176,CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID841874,CC(C)(C)c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)no1
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID3242384,COc1cccc(CNC(=O)Cn2cccc2)c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID647016,COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3160188,CCCC(=O)Nc1nc2ccc(NC(=O)c3ccccc3F)cc2s1
+,,,,,,,,,,0.0,,,,,,,CID1432096,O=C(NCc1ccco1)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID651328,CN(C)CC(O)COc1cc2ccccc2cc1C(=O)N1CCCCC1
+,,,,,,,,,,,0.0,,0.0,,,,CID1482823,Cc1ccc(C(=O)O/N=C2\CCSc3ccc(C)cc32)cc1
+,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,CID2856716,O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1CCO
+0.0,,,,,0.0,,0.0,,,,,,0.0,,,0.0,CID652867,Cc1ccc(C(=O)C2CCN(CC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,,CID653195,O=C(NCCCCNC(=O)c1ccco1)c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID1302358,Nc1c(-c2ccccc2)cnn1-c1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1475313,O=C1CSCN1c1ccc(Cl)cc1
+,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID2428800,CC(C)NC(=O)COC(=O)c1ccc(O)cc1
+,,,,,,,,,,,0.0,,,,,,CID4130922,Cn1ccnc1SCC(=O)c1cccc(Br)c1
+,0.0,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,CID3238709,O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NC1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID795488,O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cccs1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3240880,CCN(CCNC(=O)Nc1ccc(Cl)cc1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1090156,COc1ccc(-n2c3c(cc(C(=O)Nc4ccc(C)cc4)c2=O)C(=O)CCC3)cc1
+,,,,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,CID624794,O=c1c(O)c(-c2ccc3c(c2)OCO3)oc2ccccc12
+0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID332934,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3242995,COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3222736,CCCCNC(=O)C1CCN(C(=O)Nc2ccc(C)cc2)CC1
+0.0,,,,0.0,,,,,,,,,,0.0,,,CID3245197,COc1cc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)cc(OC)c1
+,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,CID655078,COC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID976282,CCOc1ccc(-c2nc(-c3cccnc3)no2)cc1OCC
+,,,,,,,,,0.0,,,,,,,,CID3762985,Cc1cc(=O)nc(SCc2cccc(F)c2)[nH]1
+,0.0,,,,,,,,,,,0.0,,,,,CID1246298,CCc1c(C(=O)N2CCOCC2)csc1C
+,,,,,,,,,,,,,0.0,,,,CID1264922,Cc1ccc(-c2csc3ncnc(SCc4ccc(C(=O)O)cc4)c23)cc1
+0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,,CID656232,O=c1cc[nH]c2cccc(Cc3ccccc3)c12
+,,,,0.0,,,,,,,,,0.0,,,,CID2802499,CCN(CC)S(=O)(=O)C1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID2904007,CCCC(C)NC(=O)c1cc(Cl)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID4610668,CC(C)(C)c1ccc(S(=O)(=O)O/N=C2\CCCCC2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
+,0.0,,,,,,0.0,,,0.0,,,,0.0,,,CID2999630,C=CCn1c(SC(C)C(=O)NC2(C#N)CCCCC2)nnc1-c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID16193606,O=C(c1ccccc1)c1cccn1CC(=O)N1CCc2ccccc2C1
+,0.0,,,,,,,,0.0,,,,,,,,CID478805,Cc1ccc(NC(=O)c2ccccc2O)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID644537,CNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(C(C)C)c1=N
+,,,,,0.0,,,,,,,,,,,,CID3721736,Cc1ccc(CNC2=Nc3ccccc3CS2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3598383,CCCCCc1ccc(S(=O)(=O)NCCc2ccncc2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2927833,COc1ccc(Cc2nnc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)s2)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID655778,O=C(CSc1ncnc2nc[nH]c12)N1CCN(c2ccc(Cl)cc2)CC1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID663681,COc1ccc(C2CC(=O)C3=C(C2)Nc2ccccc2N(C(C)=O)C3c2ccco2)cc1
+,0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,,CID649523,CCCc1[nH][nH]c(=O)c1C(c1ccccc1)C(C#N)C#N
+,,,,0.0,,,0.0,,,,,,,0.0,,,CID659427,CC(=O)c1ccc(O)c(CO)c1
+,,,,,0.0,,,,,,,,,,,,CID1378885,c1ccc(-c2ccc(Oc3cc(N4CCOCC4)nc(-c4ccccc4)n3)cc2)cc1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID2304667,C#CCOC(=O)CCC(=O)NCCc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1863817,COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccco4)nc3oc2c1
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+,,,,,,,,,,,,,0.0,,,,CID666112,O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)ccc1Cl
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+,,,,,,,,,,,0.0,,,,,,CID2791262,CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O
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+,0.0,,,,,,,,0.0,0.0,,,,,,0.0,CID652968,COc1cccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)c1
+,,,,,,,,,,,,,0.0,,,,CID2438724,COc1ccccc1CCC(=O)Nc1ccc(C)cc1Cl
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+,0.0,,,,,,0.0,,,,,,,,,,CID800911,COc1ccccc1C(=O)N1CCN(c2ccccn2)CC1
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+,0.0,,0.0,,,,,,,,,,,,,,CID657529,Cc1nc(NCCO)c(C#N)c2c1COC(C)(C)C2
+,0.0,,,,,,0.0,,,,,,,,,,CID3240788,Cc1cc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)no1
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+,,,,,0.0,0.0,,,,,0.0,,,,,,CID99313,CCCCc1c(C)[nH]c(N)nc1=O
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+,,,,,,,,,,,,,,0.0,,,CID16195704,CC1CN=C2N1CC(Cc1ccc(O)cc1)N2CCNC(=O)CCC1CCCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID583867,OCCNc1nc2ccccc2[nH]1
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+,0.0,,0.0,,,,,,,,,,0.0,,,,CID4920344,C=CCSc1nnc(-c2cccnc2)o1
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+0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID3243284,CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1
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+,,,,,,,,,,,,0.0,,,,,CID650011,CCC(c1nnnn1Cc1ccco1)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O
+,,,,,0.0,,,,,,,,,,0.0,,CID5309129,CCOc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)noc2C)cc1
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+,,0.0,0.0,,,,,,,,,,,,,,CID2975228,Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)N3CCCc4ccccc43)nc2s1
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+,,0.0,,,,,,,,,0.0,,,,0.0,,CID4179510,CC(=O)NC(C)c1nc2ccccc2n1C(C)C
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+0.0,,,,0.0,,,,,,,,,,,,,CID3237093,Cn1c2c(c(=O)n(C)c1=O)C(NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID648589,CN(C)c1ccc(-c2nnn(Cc3ccccc3Br)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1090949,CCOC(=O)Cc1c(C)nc2c(-c3ccc(OC)cc3)c(C)nn2c1C
+,,,,,,,,,,,,,0.0,,,,CID2991697,O=C(CS(=O)(=O)c1ccccc1)Nc1cccnc1
+,,0.0,,0.0,,,,,,0.0,0.0,,,,,,CID1049756,COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc2c1CCC2
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID712411,COC(=O)c1c(-c2ccc(C)cc2)csc1N
+0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID738379,COc1ccccc1C(=O)N1CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID691129,O=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1
+,,0.0,,,,,,,,,,,,,,,CID2947993,O=C1OCCC1Sc1nnc(-c2ccco2)o1
+,,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID2999597,COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC(C)C2
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+,,,,,,,0.0,,,,,0.0,0.0,0.0,,,CID2826620,CCOc1c(N2CCCCC2)c(=O)c1=O
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+0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2032709,c1csc(-c2csc3ncnc(NCCCN4CCOCC4)c23)c1
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+,,,,,,,,,,,0.0,,,,,,CID3103362,Cc1nc(NCCc2ccccc2F)c(C#N)c(C)c1[N+](=O)[O-]
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2079932,CN(CCC#N)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
+,,,,,0.0,,,,,,,,,,,,CID1073722,Cc1ccc(C)c(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID1300486,COc1ccc(-c2nnc(SCc3csc(N)n3)n2C)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1212246,O=C(Cc1ccc(Br)cc1)N1CCN(c2ccc(F)cc2)CC1
+,0.0,,,,,0.0,,,,,,,,,,,CID644510,O=c1[nH]c2cc3c(cc2cc1CN(CCCO)Cc1nnnn1Cc1ccc(F)cc1)OCO3
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID789551,CCc1c(C(=O)Nc2ccccc2)c(C)[nH]c(=S)c1C#N
+,,,,,,,,,,,,,,,0.0,,CID5771458,COc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3N=C(CCCO)NN32)cc1
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+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID3090127,CC1=C(C(=O)OC(C)C)C(c2cccnc2)C2=C(CC(C)(C)CC2=O)N1
+0.0,,,,,,,,,,,,,,,,,CID3245286,O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1
+,,,,,,,,,,,,,0.0,,,,CID4884600,CSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2914673,CC(C)(C)c1nnc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)s1
+,,,,,,,,,,0.0,,,,,,,CID1469687,Cc1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID3239618,CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID1263574,CCOC(=O)C1=C(N2CCCCC2)c2cc3c(n2C1=O)CCCC3
+,,,,,,,,,0.0,,,,,,,,CID2850256,CC1CCc2c(sc(N)c2C(=O)OC(C)C)C1
+,0.0,,0.0,,0.0,,,,0.0,0.0,,,,0.0,0.0,,CID1523408,CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(OC)cc4OC)ccc1c23
+,0.0,0.0,0.0,0.0,,,,,,,,,,,,,CID618401,CCn1c2ccccc2c2nnc(SCC(=O)Nc3cc(C)on3)nc21
+,,,,,,,,,,,0.0,,,,,,CID2962308,CCCCN1C(=O)NC(NC(=O)c2ccco2)(C(F)(F)F)C1=O
+,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,CID946992,Cc1cc(=O)oc(C)c1C(=O)N1CCCCC1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID3238934,CCOc1cc2[nH]c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c2cc1OCC
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID2998128,CCn1c2ccccc2c2nnc(SCc3ccc(C(=O)OC)o3)nc21
+,,,,,,,,,,,,,0.0,,,,CID1474325,COc1ccnc(-n2cccc2C=O)c1C#N
+,,,,,,,,,,,,0.0,,,,,CID663977,CCC(C)C(NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O
+,0.0,,,,,,,,,,,,,,,,CID5309086,CCOC(=O)CSCc1nc(-c2ccc(Cl)cc2)oc1C
+,,,,,,,0.0,,,,,,,,0.0,,CID3242002,Cc1cc(=O)n2nc(N3CCCC(C(=O)NCc4ccc5c(c4)OCO5)C3)sc2n1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID973868,O=C(NCc1cccnc1)c1cc(-c2ccccc2)on1
+0.0,,,,,,,,,,,,,,,,,CID2998674,O=c1c2ccccc2nnn1CSc1nnc(C2COc3ccccc3O2)n1-c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID212817,Nc1nc(N)nc(-c2ccccn2)n1
+,,,,,,,,,,,,,0.0,,,,CID5682988,Cc1cccc(C)c1Nc1nnc(SCC(=O)C(C#N)=C2Nc3ccccc3N2)s1
+,,,,,,,,,,,,,,0.0,,,CID790792,CCc1c(C)[nH]c2ccc(OC)cc2c1=S
+,,,,,,,,,,,,,,0.0,,,CID648572,Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID644475,O=C(CSc1nnc(-c2ccccc2F)o1)OCc1ccccc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3235670,CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCC(C)CC3)ccc2c1=O
+,,0.0,,,,,0.0,,,,,,,0.0,,0.0,CID616745,Cc1ccc(-c2cnc(-c3ccncc3)o2)cc1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID3243982,CC1CCN(C(=O)Cn2c(=O)n(CCc3ccccc3)c(=O)c3ccccc32)CC1
+,,,,,,,,,,,0.0,,,,,,CID812710,Cc1ccc(C)c(N/C=C(\C#N)c2nc3ccccc3o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2368997,CN(C)c1ccc(/C=N/CCc2ccc(S(N)(=O)=O)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3493567,CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1
+,,,0.0,,,0.0,,0.0,,,,,0.0,,,,CID829972,Cc1ccc(S(=O)(=O)NC(=O)COc2ccccc2C(N)=O)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0,CID2999147,O=C(C1CCCN1C(=O)c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,,0.0,,,,,,,,,,,,,CID1342725,O=S(=O)(c1ccc(F)cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1
+,,,,0.0,,,,,,,,,,,,,CID3242207,Cc1cc(=O)c2c(O)c(O)ccc2o1
+,,,,,,,,,,0.0,,,,,,,CID2579357,Cc1sc2ncnc(N(C)Cc3cccs3)c2c1C
+,,,,,,,,,0.0,,,,,,,,CID856931,Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)CC2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID3244417,Cc1ccc(NC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID853198,O=C(NCc1ccccn1)Nc1ccccc1
+,,,,,,,,,0.0,,,,,0.0,,,CID723263,CC(C)COC(=O)CNc1n[nH]c(=S)[nH]c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID903671,COc1ccc2c(c1OC)C(=O)N(c1ccc(C)c(C)c1)C2=O
+,,,,,,,,,,,,,,0.0,,,CID3158538,CC(OC(=O)c1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1
+,,0.0,,,,,,,,,0.0,,,0.0,,,CID3235851,CCOC(=O)N1CCC(NC(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1
+0.0,,,,,,,0.0,,,,,,,,,,CID5309706,Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCc4ccccc4C3)ccc21
+,,,,,,,,,,,0.0,,,,,0.0,CID660006,CCOC(=O)C1C(c2ccccc2Cl)NC(=O)N(C)C1(O)C(F)(F)F
+,,,,,,,,,,0.0,,,0.0,,,,CID649739,CCCC(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,0.0,,,,,0.0,,,0.0,CID1245660,O=C(NC1CCCC1)c1ccc(Br)s1
+,,,,,,,,0.0,,,0.0,,,,,,CID2608748,Cc1cc(NC(=O)Cn2c(C)nc3ccccc3c2=O)ccc1Br
+,0.0,,0.0,,,,,0.0,0.0,,,,,,,,CID667297,CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccc(OC)cc1
+,,,,,,,,,,0.0,,,,,,,CID1292076,CC12CN(S(=O)(=O)c3ccccc3)CC(C)(CN(S(=O)(=O)c3ccccc3)C1)C2
+,,,,,,,,0.0,0.0,,,,,,,,CID2980403,CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccccc2)C1
+,1.0,,,,,,,,0.0,,,,,,,,CID692133,FC(F)Sc1ccc(Nc2ncnc3nc[nH]c23)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID2850867,COc1ccccc1N1C(=O)N(C(C)=O)C2C1Nc1ccccc1N2C
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID656370,O=C1CN(Cc2ccccc2)/C(=N/Cc2ccco2)S1
+,,,,,,,,0.0,,,,,,,,,CID891805,CCn1ncc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl
+,,,,0.0,,0.0,,0.0,,0.0,,,,,,,CID2155316,CCOC(=O)CSc1nc2c(c(=O)n1-c1ccc(OC)cc1)SCC2
+,,,,,,,,0.0,0.0,,,,,,,,CID2480772,Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Oc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1489614,Cc1ccccc1N/N=C1\CCCNC1=O
+,,,,,,,,,,,,,0.0,,,,CID6323808,COc1ccc(Oc2cc(C)nc(Cl)n2)nn1
+,,,,,,,,,,,0.0,,,,,,CID1769391,Cc1ccc(CNC(=O)CCSCCC(=O)NCc2ccc(C)cc2)cc1
+,,,,,,,,,,,0.0,,,,0.0,,CID2960189,CCc1ccc(NC(=O)CC2NCCNC2=O)cc1
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID697331,Cc1cc(C)c(S(=O)(=O)Nc2ccc(O)cc2)cc1C
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID564104,COC(=O)c1ccc(NC(=O)CCN2CCN(Cc3ccccc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID970235,Cc1occc1C(=O)NNC(=S)NCc1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID2921910,COc1ccc(NC(=O)C2CC(=O)OC23CCCCC3)cc1
+,,,,,,,,,,,0.0,,,,,,CID1362411,Cc1cc(Nc2ccccc2)c2c([N+](=O)[O-])cc(C)c(C)c2n1
+,,,,0.0,,,,,,,,,,,,,CID765799,CCOC(=O)CSc1cn2c(n1)CCC2
+,,,,,,,,,,,,0.0,,0.0,,,CID2365388,Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)N3CCc4ccccc43)ccc12
+,,,0.0,,,,0.0,,,,,,,,,,CID2889316,COc1ccccc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
+,,,,,,,,0.0,,,0.0,,,,,,CID2016055,Cc1[nH]c2ccccc2c1C(=O)CN1CCN(C(=O)c2ccco2)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2999334,CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)OCC(=O)N1CCc3ccccc31)n2C
+,,0.0,0.0,,,,,,,,,,,,,,CID2917658,Cc1ccc(F)c(NC(=O)C2CCCCC2C(=O)O)c1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID3235643,CCC(=O)N1CCc2cc(S(=O)(=O)N(CC)c3cccc(C)c3)ccc21
+,,0.0,,,,,0.0,,,,,,,,,,CID666189,Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)NC3CCCCC3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID5019822,CC(=O)Nc1sc2c(c1C(c1ccc(Cl)cc1)N1CCOCC1)CCCC2
+0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID664635,O=C(NCCC1=CCCCC1)NC(Cc1ccccc1)C(=O)O
+,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID647664,O=C(NCc1ccncc1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID1281682,Cc1cccc(C)c1NC(=O)CSCc1cccc(CSCC(=O)Nc2c(C)cccc2C)n1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID780343,CCOc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
+,,,,,,,,,,,,,,0.0,,,CID4986185,COc1ccc(C(C[N+](=O)[O-])c2c(C)cc3ccccn23)cc1
+,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,,CID705853,c1ccc(CC2CCN(c3nnnn3-c3ccccc3)CC2)cc1
+,0.0,,,,,0.0,,,,,,0.0,,0.0,,,CID2788215,COC(=O)c1cccc(NC(=O)C(C)N2C(=O)c3ccccc3C2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID2189101,CCc1ccc(C(=O)/C=C/NCc2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16193737,O=C(NCc1ccccn1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID798295,CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4602970,O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID714648,O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)c(F)c1
+,,,,,,,,,,,,,,0.0,,,CID1256547,O=C(Cn1ccc([N+](=O)[O-])n1)N1CCCCC1
+,,,,,,,,0.0,,,,,,,,0.0,CID1091771,O=C(Nc1ccc(Cl)cn1)c1ccc(COCC(F)(F)C(F)F)o1
+,,,,,0.0,,,,,,,,,,,,CID3158124,O=C(NCc1ccc2c(c1)OCO2)C1CC(c2ccc(Cl)cc2)=NO1
+,,,,,,,,,,0.0,0.0,,,,,,CID2967551,COc1cc(Br)cc2cc(C(=O)N3CCN(c4ccccn4)CC3)c(=O)oc12
+,0.0,,,,,0.0,,,,,,,,,,,CID796324,Cc1[nH]c2ccccc2c1CCC(N)=O
+,,,,,0.0,,,,,,,,,,,,CID3238346,Cc1ccc(-c2ccc(=O)n(CC(=O)NCCN3CCCCC3C)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5310425,O=C(Cc1ccccc1)NCCc1cn2ccsc2n1
+,,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,CID3239946,O=C(NC(C(=O)N1CCCC1C(=O)O)=C1CCCCC1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID5770554,CCN(CC)C(=O)CSC1=NNC(=C2C=CC(=O)C=C2)N1CC1CCCO1
+,,0.0,,,,,,,,,0.0,0.0,,0.0,,,CID656091,Cc1cc(SCC(=O)N2CCCC2)nc2ccccc12
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2166076,Cc1cc(=O)nc(SCC(=O)Nc2ccc(Br)cn2)[nH]1
+,,,,,,,,0.0,,0.0,,,,,,,CID1018612,Cc1nc2ccccn2c1C(=O)N/N=C/c1cc(C)n(-c2ccc(Br)cc2)c1C
+,,,,,,,,,,,,,0.0,,0.0,,CID1253380,COc1ccc(OC)c(-c2nc(C)sc2CC(=O)O)c1
+,,,,,,,,0.0,,,,,,,,,CID1004928,COc1ccc(/C=N/NS(=O)(=O)c2ccc(Cl)cc2)cc1COc1ccccc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID5911258,CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3
+,,,,,,,,,,,,0.0,,,0.0,,CID5307982,CCOCCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,0.0,,,,CID1205767,CCOc1ccc(/C=C2\SC(=S)NC2=O)cc1OC
+0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,CID1247778,CCOc1ccc2ccccc2c1C(=O)N1CCN(c2ccccc2)CC1
+,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,CID3238468,CC1CCCCN1C(=O)C1CC(c2ccc(F)cc2)=NO1
+,,,,,,,,,,0.0,0.0,,,,,,CID1535106,Cc1cc2cc(NC(=O)c3ccco3)ccc2[nH]1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID652426,COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5459714,CC(=O)N1C(Cc2ccccc2)C=CC1(C)C(=O)NCCc1c[nH]c2ccccc12
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID647727,O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(CN2CCOCC2)cc1
+,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID2108255,NS(=O)(=O)c1ccc(CCNc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1
+,,,,,,,,,,,,,,0.0,,,CID3143319,C=CCN(C)NC(=S)Nc1ccccc1
+0.0,,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,CID3244475,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)Nc3ccc(OC)c(Cl)c3)CC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID5307276,CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID2200048,COc1cc2c(cc1OC)CN(C(=O)CSc1n[nH]c(N)n1)CC2
+,,,0.0,,,,,0.0,,,0.0,,,,0.0,,CID3235698,Cc1cccc(C)c1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,0.0,,,,,,,,,,,,,,,,CID662265,CC(C)OCCCn1c(=N)c(C(N)=S)cc2c(=O)n3ccccc3nc21
+,,,,,,,,,,,,,,0.0,,,CID798629,Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID2997880,O=C(CSC1=NCCS1)N1CCCCCC1
+,,,,,,,,,0.0,,,,,,,,CID920390,Fc1ccc(NC(=S)NN=C2CCCCCC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID572006,CC1=C(C#N)C(=O)OC(C)(C)C1
+,,,,,0.0,,,,,,,,,,,,CID4169834,C=CCn1c(SCC(=O)OCC)nc2cc(C(=O)NCc3ccco3)ccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID2185505,CCOc1ccc(C(=S)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1534279,Cc1c(NC(=S)SCc2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,CID1448423,COc1cccc(-n2c(CNC(=O)OC(C)(C)C)n[nH]c2=S)c1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID649877,CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1
+,,,,,,,,,0.0,,,,,,0.0,,CID1301041,C=CCn1c(COC)nnc1SCC(=O)c1ccc(F)cc1
+0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,,0.0,CID934374,O=C(NCc1ccc(N2CCCC2=O)cc1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID812936,NC(=S)c1cc2cc(Br)ccc2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID884152,CCC(CC)NC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID2928546,COC(=O)CCN(C(=O)c1cccc(OC(C)=O)c1)c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID910704,N=c1n(-c2ccccc2)c(O)cc(=O)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID926198,CSc1ccccc1NC(=O)c1ccccc1C
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID645682,O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1ccncc1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID970640,CCN(CC)c1ccc(NC(=O)Nc2cccc(C(C)=O)c2)cc1
+0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID624533,Cc1c(/N=C/c2ccco2)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,,,,,,0.0,,,,,,,CID3245532,CCC(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID648800,O=C(O)c1ccc(-n2cccc2)cc1O
+,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,,CID659311,COc1ccc2c(c1OC)C(=O)N(c1ccccn1)C2
+,,0.0,,,,,,,,,,,,,,,CID667253,CC(C)Cc1nc2oc3c(N4CCN(C)CC4)ncnc3c2c2c1CCCC2
+,,,,,,,,,,,,0.0,,,,0.0,CID1082618,CS(=O)(=O)N1CCC(C(=O)N2CCC(Cc3ccccc3)CC2)CC1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3576242,CSC1=NCCN1C(=O)C(C)(C)Oc1ccc(Cl)cc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID4230313,O=C(C1CC1)N1CCN=C1SCc1cccc(F)c1
+,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID828454,O=c1c2ccccc2nc(-c2ccccc2)n1CCCn1ccnc1
+,,,,,,,,,,,,,,,0.0,0.0,CID3244559,O=C(C1CCN(c2nnc(N3CCCC3=O)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5390049,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2c1CCC2
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID659389,Cn1c(=O)[nH]c(=O)c2c1nc(SCC(O)CO)n2Cc1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2305047,O=C(CSc1nc2ccccc2o1)Nc1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID3242495,Nc1nonc1-c1noc(CCCOc2ccc(Cl)cc2Cl)n1
+,,,,,0.0,,,,,,,,,,,,CID5767541,COc1ccc(C(=O)N/C(=C\c2cccs2)c2nc3ccccc3[nH]2)cc1OC
+0.0,,,,,,,,,,,0.0,,,,,,CID3238120,CC(NC(=O)COc1cccc(Br)c1)C(=O)O
+,,,,,0.0,,,,,,,,,,0.0,0.0,CID2789573,COc1ccc(OC(C)C(=O)Nc2cccc(OC)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2119428,O=C(CCCc1nc2ccccc2s1)NCc1cccnc1
+,,,,,,0.0,,,0.0,,,,,,,,CID3241727,Cc1ccc(CS(=O)(=O)CCC(=O)NCc2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1474909,CSc1nc2c(c(OC(=O)c3cccc(Cl)c3)n1)CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2148549,CCSC1=NCCN1S(=O)(=O)c1ccccc1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID564229,Cn1c(=O)c2c(nc(Cl)n2Cc2ccncc2)n(C)c1=O
+,,,,,,,,,,,,,,,0.0,,CID653325,COC(=O)c1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)cc(C(=O)OC)c1
+,,,,,0.0,0.0,,,0.0,,0.0,,,,,,CID2999482,COc1ccc(CNC(=O)C2CSCCS2)cc1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID867569,CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
+,,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,CID666211,CCCc1c(O)nc(SC2CC(=O)N(c3cc(OC)ccc3OC)C2=O)[nH]c1=O
+,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID3242594,Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c(C)c1
+,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,CID719362,CCOC(=O)c1sc(NC(=O)c2ccncc2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2226542,COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O
+,,,,,,,,,,0.0,,,,,,,CID1154224,COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2832645,COc1cccc(/C=N/NC(=O)c2ccc(OCc3cccc(Br)c3)cc2)c1
+,,,,0.0,,,,,,,,,,,,,CID2104695,O=S(=O)(Nc1nc(CN2CCOCC2)nc2sc3c(c12)CCCC3)c1cc(F)ccc1F
+,0.0,,,,,,0.0,,,,,,,,,,CID5282230,COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID5959873,O=C1C=C/C(=C2\CSC(NCc3ccc4c(c3)OCO4)=NN2)C(O)=C1
+,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,CID1085591,COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4594660,O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C2=COCCO2)o1
+,,,,,,,,,,,,,,,,0.0,CID3240940,O=C(NCCC1=CCCCC1)c1cc2c(s1)CS(=O)(=O)C2
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,,CID2544536,COc1ccccc1NC(=O)Nc1ccnn1Cc1cccs1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID1245537,Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c(C)o1
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+,,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID3237493,COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3Cl)c(C)nc12
+,,,,,,0.0,,,,,,,,0.0,,,CID2112283,Cn1c(N)c(C(=O)c2cc(-c3ccccn3)nc3ccccc23)c(=O)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID929542,Oc1ccccc1/N=C/c1sc2ccccc2c1Cl
+0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,CID645730,O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID4117728,O=C(Nc1cc2c(ccc3ccccc32)oc1=O)C1CCCCC1
+,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,CID1244006,CCOC(=O)c1sc(NC(=O)c2ccc(CC)s2)nc1C
+,,,,,,,,0.0,,,,,,,,,CID2928093,CCOc1ccc(N2C(=O)CC(NC3CCCCNC3=O)C2=O)cc1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID664167,COc1cccc2[nH]c3c(=O)n(CCN(C)C)cnc3c12
+,,,,,0.0,,,,,0.0,,,,,,,CID2289224,CS(=O)(=O)N(Cc1ccc(C(=O)NCCSCc2ccco2)cc1)c1ccccc1
+,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID803853,COc1ccccc1CC(=O)Nc1ccc(OC)c(OC)c1
+,,,,,,,,,,,,0.0,,,0.0,,CID690502,CCN(CC)c1ccc(C(=O)Nc2cccc(F)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID839382,COC(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1
+,,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,CID648303,CCNc1nnc(-c2ccc(C)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID458785,CC(=O)Nc1ccc(S(=O)(=O)N2CCSCC2)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID651875,CCc1c(C)nc2ncnn2c1N1CCC(C(=O)Nc2ccc(C)cc2)CC1
+,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,CID3245568,COc1ccc2nc(NC(=O)CN(c3ccc(C)cc3)S(=O)(=O)c3c(C)nn(C)c3C)sc2c1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID660021,Cc1nc(NS(=O)(=O)c2ccccc2)sc1NC(=O)OC(C)C
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID2841077,Cc1c2non([O-])c-2c(C)[n+](=O)[n+]1[O-]
+,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID5389588,CCC(NC(C)c1ccccc1)=C1C(=O)N(C)C(=O)N(C)C1=O
+,,,,,,,,,0.0,,,,,,,,CID3155241,CC(O)CNC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID5308128,CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID652843,CCOC(=O)c1cc2oc(C)cc2n1CC(=O)OC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID2889110,O=C1c2ccccc2C(=O)c2c1cccc2N1CCN(CCO)CC1
+,0.0,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID650356,CCc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1
+,,,,,0.0,,,,,,,,,,,,CID2879179,Cc1ccc2c(c1)N(C(=O)Nc1ccccc1)C(C)(C)CC2C
+,,,,,,,,,,,0.0,,,,,,CID831630,Cc1occc1C(=O)Nc1ccc(Br)cc1F
+0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,,CID1250985,CC(C)(C)NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID2235752,COc1ccc(Br)cc1-c1noc(-c2ccccc2F)n1
+,,,,0.0,,,,,,,,,,,,,CID2970702,COC(=O)Nc1nc2c(s1)CCCC2
+,,,,,,,,,0.0,,0.0,,,,,,CID746892,O=C(Nc1ccccc1)N1CCc2ccccc21
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID5771506,O=N/C=C1/C=CC(C(=O)NCC2CCCO2)=CN1
+,,,,,,,,,,,,,,0.0,,,CID992588,CCc1ccc(S(=O)(=O)Nc2cc(SCC(=O)O)c(O)c3ccccc23)cc1
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID851383,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
+,,,,,,,0.0,,,,,,0.0,,,0.0,CID3236302,CCOC(=O)N1CCN(c2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1
+,,,,,,0.0,,,,,,,,,,,CID646371,CC1CCN(Cc2c(C#N)c3ccccc3n2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID16191500,Cc1cccc(Cc2nnc(CCC(=O)NCc3cnc4ccccn34)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID3895506,CCOC(=O)C1CCN(C(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(OCC)cc3)cc2)CC1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID630093,Brc1ccc(-c2cn3nc4c(nc3n2)CCCC4)cc1
+,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,CID733747,Cc1cc(C)cc(CSc2nc(=O)c(C)n[nH]2)c1
+,,,,,,,,,0.0,,,,,,,,CID2173356,CCCNc1cc(C)oc(=O)c1C(=O)CCC
+,,,,,,,,,,0.0,,0.0,,,,,CID667258,Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCc2ccccc2)n(C)c1=O
+,,,,,,,,0.0,,,,,,0.0,,,CID1383349,CCOC(=O)Cc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID567548,Nc1nonc1-c1noc(COc2ccccc2Cl)n1
+,,0.0,,,,,,,,0.0,,,,,,,CID5308795,CCN(Cc1ccccc1)C(=O)CC1Oc2ccccc2NC1=O
+,,0.0,,,,,,,,,0.0,,,,,,CID665556,COc1ccc(N(Cc2ccco2)C(=O)c2ccccc2F)cc1OC
+,0.0,,,0.0,,,0.0,,,0.0,,,,,,,CID2998675,COc1ccccc1/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1CC1CCCO1
+,,,,,,,,,,,0.0,,,,0.0,,CID651581,Cc1ccccc1NC1=NC(C)(C)N=C(N)N1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,CID2082122,CCc1ccc2c(CN(CC)Cc3nc(=O)c4ccccc4[nH]3)cc(=O)oc2c1
+,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,CID3000188,CC1CCCCC12NC(=O)N(Cn1nnc3ccccc3c1=O)C2=O
+,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0,CID2868052,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2C)c(OC)c1
+,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID1334002,Cc1ccc(OC(=O)CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID2984398,CCSc1ncc(Cl)c(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)n1
+,,,,,,,,,,,0.0,,,,,,CID3229980,CCOCCN1CCN(c2c(CC)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0,CID653187,O=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID659035,CC(C)Cn1c(N)c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc21
+,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID652433,Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3c(C)ccc4nsnc34)c(=O)[nH]c2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2897119,Cc1nn(CC(O)CN2c3ccccc3Sc3ccccc32)c(C)c1Br
+,,,,,,,,,,,,,,,,0.0,CID894678,CCOc1cccc(Oc2ccc(C(F)(F)F)cn2)c1
+,,,,,,,,,,,,,,0.0,,,CID12005235,CCC(C(=O)NNC(=O)c1cnccn1)c1ccccc1
+0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID977640,COc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1
+,,,0.0,,,0.0,,,,,,,,,,,CID2833809,O=c1[nH]c2ccccc2nc1C(F)(F)C(F)F
+,,,,,,,,,,,,,0.0,,,,CID16192010,COc1ccc(CN2CCNC(=O)C2CC(=O)NC2Cc3ccccc3C2)c(OC)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID3237012,CCOc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1
+,,0.0,,0.0,,,,,0.0,,,,0.0,,,,CID767767,O=C(CCn1c(=O)sc2ccccc21)NCc1cccs1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID648847,CCN1C(=O)C2C(c3cccc(F)c3)NC(CC)(C(=O)OC)C2C1=O
+,,,,,,,,,0.0,,0.0,,,,0.0,,CID961305,c1cc(CNc2ccc3c(c2)OCCO3)ccn1
+,,,,,,,,,,,,,0.0,,,,CID2689282,COc1cc2[nH]c(CN(C)Cc3ccc(Cl)cc3)nc(=O)c2cc1OC
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID717502,CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID693000,O=C(c1ccc(Cl)s1)N1CCc2ccccc21
+,,0.0,0.0,,,,,,,,,,,,,,CID2174323,COc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1
+0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,CID3236139,COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCc2cccnc2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID824980,Cn1c(O)c(S(=O)(=O)C(C)(C)C)c(=O)c2ccccc21
+0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,,CID648011,O=C(Cn1nnc(-c2ccccc2)n1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,,,0.0,CID5307882,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2cc(OC)ccc2OC)C3C1=O
+0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,0.0,CID658841,N#CC1(c2c(O)n3c(nc2=O)SCCC3)CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID2975106,CC(NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1F
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID897033,O=C(Nc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2
+,,,,,,,0.0,,,,,,,,,,CID750066,O=C(O)CCNC1=Nc2ccccc2CCC1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID699751,O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
+,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,CID652342,Cc1nn(C)c(C)c1NC(=O)c1ccnn1C
+,,0.0,,,,0.0,,,,,,,,,,,CID3547597,C#CC(C)(C)NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCC
+,0.0,,,,,,,,,,,,,,,0.0,CID3241054,COc1ccc2c(c1OC)C(=O)N1c3cccc(Cl)c3C(=O)OC21
+,,,0.0,,,,,0.0,0.0,,,,0.0,,,,CID970906,Cc1ccc2cccc(OC(=O)N3CCCC3)c2n1
+,,,,,,,,,0.0,,,,,,,,CID701458,Cc1ccc(S(=O)(=O)N(C#N)c2nc(C)cc(C)n2)cc1
+,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID953423,Cc1cc(C)c(OCC(=O)Nc2nnn(C)n2)c(Br)c1
+,,,,,,,0.0,,,,,0.0,,,,,CID731807,CC(C)=CC(=O)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,0.0,,,,,,CID2872558,COC(=O)CN(C(=S)Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,,,,,,,,0.0,,,,,CID2998904,CC(C)n1c(SC2CCOC2=O)nc2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID662151,O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccnc1)c1cc2ccccc2o1
+,,,,,,,,0.0,,0.0,,,,,,,CID1146885,CNC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID830148,CSC(=NNC(=O)c1ccccc1O)SC
+0.0,,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,CID3237306,O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccccc2)CC1
+,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,,,CID667343,O=C(O)c1cc(NCc2ccc3c(c2)OCO3)ccc1N1CCOCC1
+,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,CID653100,Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)C(C)(C)C
+0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0,CID763700,CCOc1ccc(CNc2ccc3c(c2)ncn3C)cc1
+,,,0.0,,,,,,,,,,,,,,CID696849,c1nc2sc3c(c2c2nnnn12)CCCC3
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID2998471,COc1ccc(-c2nnc(SC(C)C#N)o2)cc1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,CID1263614,Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1
+,0.0,,,,,,,,,,,,,,,,CID2962200,O=C(Nc1cccnc1)C1CC(c2ccc(Cl)c(Cl)c2)=NO1
+,,,,,,,,,,,0.0,,,,,,CID2335893,CN(C)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID1104092,COc1cc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc(OC)c1OC
+,,,,,,,,,,,,,,,,0.0,CID3237377,COc1ccc(Cl)cc1N(C)C(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
+,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,0.0,,CID651704,CCN(CC)C(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)c(C)c1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID694414,Cn1c(-c2sc3ccccc3c2Cl)n[nH]c1=S
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID2098834,Cc1n[nH]c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID3236664,Cc1ccc(NC2=NC3(CCCCC3)N=C(N)N2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1471762,O=S(=O)(Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccccc1
+0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,CID2123150,Cc1nn(-c2ccccc2)c2nc(-c3ccncc3)cc(C(=O)NCc3ccco3)c12
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID1248222,O=C(COc1ccc(Br)cc1CO)Nc1ccccc1F
+0.0,,0.0,,,0.0,,,,0.0,,,,,,,,CID662853,C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1
+,,,,,,,,,,0.0,,,,,,,CID1892604,COc1ccc(C(=O)/N=c2\c(C#N)cc3c(=O)n4cccc(C)c4nc3n2Cc2ccco2)cc1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID5411262,CC(C)c1ccc2c(c1)N/C(=C1/C=C(N)C=CC1=O)O2
+,,,,,,,,,,,,,0.0,,,,CID762708,COc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID6498106,O=C(CCSCc1ccccc1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID2039561,C=C(C)CSc1nc2ncc(Cl)cc2[nH]1
+,,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID663158,CN(C)c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID666805,CCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1
+0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,CID665263,COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)C2CCCO2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID4158046,Cc1cccc(-n2ncc3c(N(CCO)CCO)ncnc32)c1
+,,,,,,,,,,,,,,0.0,,,CID1246194,CCOc1ccccc1N1CCN(C(=O)CC(C)(C)C)CC1
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID659085,CCC(NC(CC)CO)=C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,0.0,,,,,,,,,CID1258939,COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)c(F)c1F
+,,,,,,,,,,,,,0.0,,,,CID2332493,Cn1/c(=N/NC(=O)c2ccccc2Br)sc2ccccc21
+,,,,0.0,,,,,,,0.0,,,,,,CID2565152,CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCc3nnc(-c4cccs4)o3)n2N)c1
+0.0,,,,,,,,0.0,,,,,,0.0,,0.0,CID654555,COc1ccc(CN(C(=O)c2ccco2)c2ccc(Br)cc2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2209589,COc1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID3149178,CCCCCNC(=O)C1CC(=O)OC12CCCCC2
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID1254681,O=C(COc1ccc(Br)cc1CO)Nc1ccc(F)cc1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID2570762,COCc1c(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)oc2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1886581,Cc1ccc(NC(=O)CCC(=O)NCCO)cc1
+,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,,CID655080,O=C(O)c1c(-c2ccccc2)c2oc3ccccc3c2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID1728493,COc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID734746,Cc1n[nH]c(NCCN2CCOCC2)nc1=O
+0.0,,,,,,,,,,,,,,,0.0,,CID2999194,CC(OC(=O)C1CCN(S(=O)(=O)c2ccccc2)CC1)C(=O)Nc1ncc(Cl)cc1Cl
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID977839,O=C(CS(=O)(=O)Cc1ccccc1)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2487256,CC(C)c1ccc(NC(=S)NC2CCN(Cc3ccccc3)CC2)cc1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID654298,Cc1cccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)n1
+,,,,,,,,,,,,,0.0,,,,CID888720,Cc1ccc(SCC(=O)Nc2nccs2)cc1
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID3242588,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C3CCCC3)CC2)CC1
+0.0,,,,,,,,,,,,,,,,,CID5309123,CC(C)Cc1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID2791379,Cc1n[nH]c(=O)nc1NC(C)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID4120883,Cc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1
+,,,,,,0.0,,,,,0.0,,,,,,CID5389808,COc1cccc(Oc2coc3c(CN4CCOCC4)c(O)ccc3c2=O)c1
+,,0.0,,,,,,,,,,,,,0.0,,CID654336,O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)NCC1CCCO1
+,,,,,,,,,0.0,,,,0.0,,,,CID9551043,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(F)c(C(=O)Nc3ccc(F)c(F)c3)c2)C1
+,0.0,,,,,,,,0.0,,,,,,,,CID743635,O=S(=O)(Cc1ccccc1)NCc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID878879,Cc1ccccc1NCC(=O)c1ccc(Br)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID5771275,COc1cc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccncc4)N3N2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID972908,COc1ccc(C2(C(=O)N3CCOCC3)CCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1139460,COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4C)cc3n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID651940,Cc1cc(C)cc(N2CC34C=CC(O3)C(C(=O)OCC(=O)NCc3ccco3)C4C2=O)c1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID868360,CCOC(=O)N1CCC(Nc2cccc(SC)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4016566,COCCNC(=O)c1ccc2c(c1)CCN2S(C)(=O)=O
+,,,0.0,,,,,,,0.0,,,,,,,CID1811207,COc1ccc(S(=O)(=O)NCCOc2ccccc2)cc1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID3240782,Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1C
+,,,,,,,0.0,,,,,,,,,,CID3236831,CCOC(=O)c1oc2ccccc2c1NC(=O)COc1ccc(F)cc1
+,0.0,,,,,,,,,,,,,0.0,,,CID5389524,COc1ccccc1C1CC(c2ccc(F)cc2)N=C2N=CNN21
+,,,0.0,,0.0,,,,,,0.0,,,,,,CID3237720,CC(C)(C)C1CCc2onc(C(=O)NCc3ccc(F)cc3)c2C1
+,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,CID3239043,CC(=O)c1ccc(N2CCN(C(=O)CCCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2)cc1
+,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,,CID314787,O=C1Cc2ccccc2N1c1ccccc1
+,,0.0,,,,,,,0.0,,,,,0.0,,,CID666541,COCCOC(=O)c1c(C)n(C)c2ccc(OC(=O)N3CCOCC3)cc12
+,,,,,,,0.0,,0.0,0.0,,,,,,,CID2186324,COc1ccc(N/C=C2/CCCCC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID851382,O=S1(=O)N=C(Nc2nncs2)c2ccccc21
+0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,,CID4655947,CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)C1
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0,CID1252775,CCN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID6294012,CCN1C(=O)/C(=C\N2CCN(c3ccc(F)cc3)CC2)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID2767921,O=C(c1snnc1-c1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1371136,CCc1ccc(/C=C2\SC(=S)N(CCC(=O)NC3=NCCS3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1295075,CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc23)C1
+,,,,,0.0,,,,,,,,,,,,CID5557638,O=S(=O)(/N=C(/Nc1ccccc1F)c1ccccc1)c1ccccc1
+0.0,,,,,0.0,0.0,,,,,,,0.0,,,,CID652669,O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccccc1)C(=O)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID3476935,Cn1c(Cn2cnc([N+](=O)[O-])n2)nnc1SCC(=O)Nc1cccc(Cl)c1
+,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,CID2999877,Clc1nc2sccn2c1/C=N/n1cnc2ccccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID902237,c1ccc2oc(Cc3ccc(Cc4nc5ccccc5o4)cc3)nc2c1
+,,,,,,,,,0.0,,0.0,,,,,,CID3191409,CCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)cc1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID2105421,Cc1cccc(-n2nnnc2SCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1415680,Cc1nnc2c(Oc3ccccc3)nc3ccccc3n12
+,,,,0.0,,,,,,,,,,,,,CID662091,CC(=O)c1ccc(C#CC(C)(C)O)s1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0,CID3243953,O=C(NCc1ccco1)c1cc(-c2cccc(Cl)c2)on1
+,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,CID653003,O=C(CSc1nc(=O)cc(NS(=O)(=O)c2ccccc2)[nH]1)Nc1ccc(F)cc1
+0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,0.0,CID2199231,CCCOc1ccc(OCCSc2ncccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID867673,COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID902762,CCc1ccc(C(=O)COC(=O)c2cccs2)cc1
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID650963,COc1ccc(C(=O)N2CCN(C3CCC(c4ccccc4)CC3)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID936788,Cn1c(NCc2ccc(Cl)cc2)nc2ccccc21
+,,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID3243114,CCn1c(=O)cc(OCC(=O)NCc2ccco2)c2ccccc21
+0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,CID649683,Cc1cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)ccc1Cl
+,,,,,,,,,,,,,,,0.0,,CID650765,Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccnc2)C(=O)c2snc(C(N)=O)c2N)o1
+0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID2388600,Cc1sc2ncnc(OCC(=O)NCc3cccs3)c2c1C
+,,,,,,,,,,,,,,,,0.0,CID5389396,CCN(CC)C1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21
+,,,0.0,0.0,,,,,,,0.0,0.0,,,,,CID1586062,CCCOC(=O)Nc1ccccc1C(N)=O
+,,,,,,,,0.0,,0.0,,,,,,,CID68497,Cc1ccc(NC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5024635,COc1ccc(C(=O)N2CCN=C2SC)cc1
+0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,CID748266,CCCn1c(-c2ccc(OC)cc2)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID16190960,c1ccc2oc(-c3[nH]ncc3CN3CCC(N4CCSCC4)CC3)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID1388262,C=CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,0.0,,,,CID5307372,O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCC(O)CC1
+0.0,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID2231244,O=C(NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)OCO2
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID5309133,O=C(CN1CCN(Cc2ccccc2Cl)C1=O)NCC1CCCO1
+0.0,,,,,,,,,,,,,,,,,CID5308935,CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID1310009,COc1ccc(OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID2998640,Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1CC1CCCO1
+,,,,0.0,,,,,,,,,,,,0.0,CID3241550,Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1C
+0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,CID667386,Cc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
+,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID2999818,O=C(Nc1ccccc1C(=O)OC1CCOC1=O)c1ccco1
+,,,,,,,0.0,,,,,,,,,0.0,CID2999124,O=C(COC(=O)C1CC2C=CC1C2)NCc1ccco1
+,,,,,,0.0,,,,0.0,,,0.0,,,,CID649783,O=C1NC(c2ccncc2)Nc2ccccc21
+,0.0,,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,CID2950951,O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCC1CCCO1
+,,,,,,,,,,,,0.0,,,,,CID2983865,O=C(C1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID5770961,COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)Cc2ccc(F)cc2)c(O)c1
+,,,,,,,,,,,,,,0.0,,,CID1185132,COc1ccccc1N1CCN(/N=C/c2c(C)nn(-c3ccccc3)c2C)CC1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID1245709,Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)o1
+,,,,,0.0,,,,,,,,,,,,CID645963,O=S(=O)(c1ccc(S(=O)(=O)N2CCCN(Cc3ccccc3)C2)cc1)N1CCCCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID1468162,Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1
+0.0,,0.0,,,0.0,,,,,,,0.0,,,,,CID3245272,COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3cccc(Cl)c3)oc2C)CC1
+,,,,,,,,0.0,,,,,,,,,CID3745892,CCCC(C)C(=O)N(Cc1ccccc1)c1ccccn1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID662044,CSc1nc(N)nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)c1C#N
+,,,,,,,,,,,,,0.0,,,,CID760242,CCOc1ccccc1NC=C1C(=O)CC(c2ccccc2)CC1=O
+0.0,,,,,,0.0,,,,,,0.0,,0.0,,,CID3237254,CCN(CCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID2594755,O=C(c1n[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
+,,,,,,,,,,,,0.0,,,,,CID2118027,Cc1cc(NC(=O)COC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)no1
+,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,CID652401,O=C(Nc1nccs1)c1ccc(NC(=O)c2ccco2)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID5389486,O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/NCCCn1ccnc1
+,0.0,,,,,0.0,,,,,,,,,,,CID660059,O=C(O)CCCCCNc1nc(=O)c2c(ncn2Cc2ccccc2)[nH]1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID783344,OCCN(Cc1ccccc1)Cc1cccc(F)c1
+0.0,,,,,,,0.0,,,0.0,,,,,,,CID2998163,COc1cc2c(cc1NC(=O)CSc1nnnn1-c1ccccc1)oc1ccccc12
+0.0,,,,,,,,,,,,,,,0.0,,CID5309165,COc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID747996,Cc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1206154,COc1ccc(-c2csc3nc(-c4ccccc4OC)oc(=O)c23)cc1
+,,,,,,,0.0,0.0,,0.0,,,0.0,,,,CID832834,O=C(O)/C(=C1/OC(=O)c2ccccc21)c1ccccc1
+,,,,,,0.0,,,0.0,,,0.0,,0.0,,,CID2265867,O=C(Cc1ccc(-c2ccccc2)cc1)N1CCOCC1
+,,,,,,,0.0,,0.0,,,,,,,,CID658259,Cc1ccc(C2(O)CCN3CCCCC32)cc1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3240302,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N/C(=O)c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID745733,O=C(O)c1ccc(NC(=O)C2CCCCC2)cc1
+,,0.0,,,,,,0.0,,,0.0,,,,,0.0,CID654409,CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(CC(=O)NC2CCCC2)C1=O
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID5308980,O=C(Nc1ccc2c(c1)OCCO2)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID2874832,CC(C)C1Nc2ccc(S(N)(=O)=O)cc2C2C=CCC21
+0.0,,0.0,,,,,,,,,,,,,,,CID2932599,O=C(NCCCN1CCN(CCCNC(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID2126542,CC(=O)NCCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID1191641,Cc1c(NC(=S)N/N=C/c2ccc(N(C)C)cc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,0.0,,,CID769180,O=C(c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCCO2
+,,0.0,0.0,,,,0.0,,,0.0,,,,,,,CID644502,CCc1ccccc1NC(=O)Cn1nnc(-c2cccnc2)n1
+,,,,,,,,,,,0.0,,,0.0,,,CID718496,c1ccc(Cn2nnc3c(N4CCOCC4)ncnc32)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,0.0,,CID2210290,CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1
+,,,,0.0,,,,,0.0,,,,0.0,,,,CID653703,O=C(O)c1cccc(S(=O)(=O)N2CCSCC2)c1
+,0.0,,,,,,,,,,,,,,,,CID3238682,CCOC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2403513,COc1ccccc1OC(=O)CCc1nc2ccccc2s1
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,,CID5308652,COc1ccc(NC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+0.0,,0.0,,,,,,,0.0,,,,,,,,CID654196,CCN(Cc1ccccc1)C(c1cccs1)c1nnnn1C1CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID231916,COc1cc(NCCCCN)c2ncccc2c1
+,,,,,,,,,,,,,,0.0,,,CID4055049,O=C(O)c1cc(N/N=C/c2ccc(OCc3ccccc3)cc2)ccc1Cl
+,,,,,,,0.0,,,,,0.0,,,,,CID3246770,CCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,0.0,,,,,CID5310839,CN1C(=O)C(=CNC2CC(C)(C)NC(C)(C)C2)C(=O)N(C)C1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1473304,C=CCn1c(-c2cccn(Cc3cccc(Cl)c3)c2=O)n[nH]c1=S
+,,,,,,,,,,,,,,0.0,,,CID937405,CC(=O)Oc1ccc2oc(/C=C/N(C)C)c([N+](=O)[O-])c2c1
+0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID3237648,Cc1nc2sc(C(c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1
+,,,,,,,,,0.0,,,,,,,,CID573780,CC(=O)c1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2205509,CCCCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S
+,,,,,0.0,,,,,,,,,,,,CID9550793,Cc1ccc(-c2nnc(Cc3ccc(Cl)cc3)o2)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,,CID661245,N#Cc1nc(-c2cccs2)oc1NCc1ccc(Cl)cc1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID721497,CCOC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
+,,,,,0.0,,,,,,,,,,,,CID3106312,O=C(CNC(=O)c1ccccn1)N/N=C/c1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID3292650,CCCCCOc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID644521,c1ccc(-c2nnc(CSc3nnc(-c4ccncc4)n3Cc3ccco3)o2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID661115,CCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID721095,Cc1ccc(-n2nc3ccc(N)cc3n2)cc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID828600,CCC(=O)n1nc(-c2ccccc2)nc1N
+,,,,,,,,,0.0,,,,,,,,CID2946732,O=C1C2CC=CCC2C(=O)N1c1n[nH]c(-c2ccccc2)n1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID833981,COc1ccc(Br)cc1CNc1ccc(O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2282197,Cc1cc(C)cc(N(CC(=O)NCCSc2ccccn2)S(=O)(=O)c2ccccc2)c1
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID5309358,Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O
+,,,,,,,,,,,0.0,,,,,,CID2905062,COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br
+,,,,0.0,,,,,,,,,,,,,CID2164705,O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCc2ccccc2C1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID687025,Cc1ccc(CCNc2ccccc2)c[n+]1[O-]
+,,,,,,,,,,0.0,,,,,,,CID3533724,CCC1(C)OCC(Cn2c3ccccc3c3ccccc32)O1
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID2711952,O=C(NCc1ccccc1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,0.0,,,,,CID5308351,Cc1ccc(N2C(=O)c3ccccc3C2O)nc1
+0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,CID2998136,CN1CCN(C(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)CC1
+,0.0,,,,,,0.0,0.0,,,,,0.0,,,,CID5308257,CCC(Cc1ccccc1)NC(=O)CN1C(=O)CSc2ncccc21
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+,,,,,,,,,,,,,0.0,,,,CID878873,O=S(=O)(Cc1ccccc1)Nc1ccc(Br)cn1
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+,0.0,0.0,,,,,,,,,,,,,,,CID756753,CCSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
+0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID756307,CC(C)(C)n1nc2c(c1NC(=O)c1cccs1)CS(=O)C2
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+,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,CID660358,CCOC(=O)c1sc(NC(=O)CSc2nc3c(cc2C#N)CCCCCC3)c(C#N)c1C
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+,,,,,,,,0.0,,,,,,,,,CID1565638,CCCOc1ccc(S(=O)(=O)n2cc(Br)c(=O)[nH]c2=O)cc1
+,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID2237015,COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID3912764,Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)s1
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+,,,,,,,,,,,,,,0.0,,,CID2327299,CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(OC)c(O)c2)c1
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3237203,CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(CCC)CC3)c(C)c2c1=O
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+,,,,,,0.0,,,,,,,,,0.0,,CID5307412,CC1CCCN(S(=O)(=O)c2coc(C(N)=O)c2)C1
+,,,,,,,,,,,,,,0.0,,,CID4530551,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1
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+,,,0.0,,,,0.0,,,,,,,,,,CID2164314,CCCCNC(=O)c1cccc(C(=O)NCCCC)c1
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+,,,,,,,,,,0.0,,,,,,,CID695829,Clc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1
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+,,,0.0,,,,,,,,,,,,,,CID701324,O=C(Nc1ccccc1OC(F)F)c1ccc(F)cc1
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+,,,,,,,,0.0,,,,,,,,0.0,CID2831257,CC(=O)Nc1ccc(OC(F)(F)C(F)C(F)(F)F)c(NC(C)=O)c1
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+0.0,0.0,,,,,,0.0,,,,,,,0.0,,,CID655905,Cc1ccc(-c2nc(C#N)c(NCc3ccco3)o2)cc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID2840098,CCCCCc1ccc(CC(=O)O)cc1
+,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,CID756486,O=S(=O)(NCc1ccccc1)c1cccc2nonc12
+,,,,,,,,,0.0,,,,,,,,CID1093135,Cc1cccc(OCCn2c(=O)sc3ccccc32)c1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID1084907,CS(=O)(=O)N(CC(=O)NCc1ccco1)c1cc(C(F)(F)F)ccc1Cl
+,,,,,,0.0,0.0,,,,,,,,,,CID731799,CCOc1ccccc1OCC(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3440155,CC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1295601,CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID386761,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(OC)cc1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID1265644,Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID5711317,CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID16197080,CCOC1OC(C(=O)Nc2ccccc2)=CC(C)C1CCCO
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID3241724,CCCCN(C)CCNC(=O)c1ccc2c(c1)NC(=O)C(N1CCCCC1)S2
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+,,,,,,,,,,,,,,0.0,,,CID714792,CCOc1ccc(-c2nc3ccccc3c(=O)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID668741,Cc1cccc(OCc2n[nH]c(=S)n2C2CCCCC2)c1
+,,0.0,,,0.0,,,,0.0,,,0.0,,,,,CID2838073,O=C(C1CC1c1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2905565,CCc1ccc(Nc2nc3ccccc3c(=O)s2)cc1
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+,0.0,,,,,,0.0,,0.0,,,,,,,,CID3242942,CC(=O)Nc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1
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+,,0.0,,,,,,,,,,,,,0.0,,CID3244583,CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCCCC2)CC1
+,,0.0,,,,,,,,,,,,0.0,,,CID667252,O=C(O)CCCc1nc(-c2ccccc2)no1
+,,,,,,,,,,,0.0,0.0,,,,,CID658810,COc1ccc(CCN(C)C(=O)N2CCOCC2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID1448062,CCOC(=O)c1c(C=O)c2sc(C)cc2n1C
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+,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,CID974023,Cc1nn2c3ccccc3nc2n(Cc2ccccc2)c1=O
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2841167,c1ccc(-c2nnn(C34CC5CC(CC(C5)C3)C4)n2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1491653,O=Cc1ccc2noc(-c3ccc(F)cc3)c2c1
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+,,,,,,,,,,0.0,0.0,,,,,,CID4177498,O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID3222760,Cc1ccc(NC(=O)N2CCC(C(=O)Nc3ccc(C)cc3C)CC2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2968198,CS(=O)(=O)N(CC(=O)N1CCCCCC1)Cc1ccc(Cl)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,0.0,,CID3244991,Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccccc3)cn12
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+,0.0,,,,,,,,,,,,,,,,CID3241814,Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n3ccccc3nc21
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+,,,,,,,,,,0.0,0.0,,,,,,CID2054517,CCOC(=O)/C(C#N)=C/NC(=O)NC(C)(C)C
+,,,,,0.0,,,,,,,,,,,,CID1240545,N#CCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1
+,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID974540,S=C(c1ccc2c(c1)OCO2)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID6952211,Cc1ccc(Nc2c(-c3ccccn3)nc3cc(C)ccn23)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID3244436,Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N1CCN(c2ccccc2)CC1
+0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,CID663967,O=C(CCC(=O)N1CCCC1)Nc1nnc(C(F)(F)F)s1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID5307104,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(C)c2C)cc1
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID652874,COc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID1345801,Cc1cc(Br)ccc1N1C(=O)CC(=O)NC1=O
+0.0,,0.0,,,0.0,,,,,0.0,,,,,,,CID5309200,CCn1c(=O)cc(OCC(=O)Nc2ccccc2N2CCN(C)CC2)c2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID4610944,COC(=O)c1sccc1NC(=S)N1CCC(C)CC1
+,,,,,,,,,,,,,0.0,,,,CID2137307,Cc1cccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccccc23)c1
+,,,,,,,,,,,0.0,,,,,,CID921619,CCn1c(O)cc(=O)nc1SCC(=O)N1CCCCC1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID665128,Cc1ccc(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c(C)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID660421,O=C(c1cccc2ccccc12)N1CCC(N2CCN(c3ccccc3)CC2)CC1
+,,,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,CID654326,CC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID799618,CCN(CC)CCn1c(=N)n(CCO)c2ccccc21
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308133,O=C(Cn1cc2c(n1)CCCCC2)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1347015,COc1ccc(OC)c(/C=N/N=C2\SCC(=O)N2Cc2ccco2)c1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID3219519,N#CCCCSc1nnc(Cc2ccc3c(c2)OCO3)o1
+,,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,CID644401,CC(C)Nc1nc(C#N)nc(NC(C)C)n1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID650262,CCOC(=O)C1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1
+0.0,,,0.0,,,,,,,,,,,,,,CID2876329,COc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID610237,CC(=O)C1=C(O)C(=O)N(C)C1c1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID1473007,COc1ccc(C(=O)O/N=C(\C)c2cnccn2)cc1
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID655605,O=C(NC1CC2CCCC(C1)N2C(=O)NC1CCCCC1)c1ccc(F)cc1
+,,,,,,,,,,,,0.0,,,,,CID3243023,Cc1ccc(CN2CC34C=CC(O3)C(C(=O)NCc3ccco3)C4C2=O)cc1
+,0.0,,,,,,,,,,0.0,,0.0,,,,CID1248635,c1ccc(Cn2c(Nn3cnnc3)nc3ccccc32)cc1
+,0.0,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID655694,COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CCC3)s2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4765844,COc1cccc(NC(=S)NNC(=O)C(C)n2nc(C)c([N+](=O)[O-])c2C)c1
+,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,CID1013010,COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,CID658925,Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3)nc2n1
+0.0,,,,,,,,,,,,,,,,,CID2568311,Cc1ccsc1C(=O)OCC(=O)Nc1sccc1C(N)=O
+,,,,,0.0,,,,,,,,,,,,CID2428425,CCCCNC(=O)COC(=O)c1cc(C)nc2ccccc12
+,,,,,0.0,,,,0.0,,,,,,,,CID2124318,O=C(CN1CCOCC1)Nc1nc2ccc(F)cc2s1
+,,,,,,,,,,,,,,0.0,,,CID2088350,COCCNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID2999601,O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NCC1CCCO1
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+,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID2955737,Cc1cc(C)nc(SC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)n1
+,0.0,,,,,,,,,,,,,,0.0,,CID3243417,COC(=O)c1ccc(NC(=O)CCn2cccc2)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,CID892982,Cc1cc(C)c(C#N)c(N2CCCC2)n1
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+,,,,,,,,,,0.0,,,,,,,CID5516215,CCO/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O
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+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID1288450,Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1
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+,,,,,,0.0,,,,,,,,,,,CID3244527,COc1ccc(C2C(C(=O)O)CC(=O)N2c2ccc(OC)cc2)cc1
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+,0.0,,,,,0.0,,,,,,,,,,,CID2155096,CCOc1cc(CNc2ncnc3nc[nH]c23)ccc1OC
+,,,,,,,,,,,,,,,,0.0,CID3242294,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CCc2ccccc2C1
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+0.0,,,,,,,,,,,0.0,,,,,0.0,CID727399,COC(=O)CCC(=O)Nc1ccc(Br)cc1
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+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID654304,CCOc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccoc1C
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+,,,,,0.0,,,,,,,,,,,,CID5341749,O=C(O/C(=C/c1nccn1Cc1ccc(Cl)cc1)c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5556646,O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCCCO
+,,,,,,,,,,,,,,0.0,,,CID899587,COC(=O)Cc1ccc(NC(=S)NCCC(C)C)cc1
+,,,,,,,,,,,,,,,0.0,,CID3239652,O=C(Nc1cccc2c1CCCC2)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
+,,,0.0,,,,,0.0,,,,,,,,,CID2998921,OC(c1cccc(OCc2ccccc2)c1)c1nnc(-c2ccccc2)o1
+,,,,,,,,0.0,,,,,0.0,,,,CID1349211,O=C(Nc1ccc(NC(=O)c2cccs2)cc1)c1ccc(Br)o1
+0.0,,,,,,0.0,,,,,,0.0,0.0,,,,CID651711,Cc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)n3-c3ccc(C)cc3)o2)cc1
+,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,CID669172,CC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID865398,CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2186011,Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCC(=O)O)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2974420,CC1CCN(S(=O)(=O)c2ccc(NC(=O)N3c4ccccc4Sc4ccccc43)cc2)CC1
+,,0.0,,0.0,0.0,,,,0.0,,,,,,,,CID1251136,CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CC(C)(C)OC2
+,,,,,0.0,,,,,,,,,,,,CID6037043,COc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)c2nc3ccccc3[nH]2)cc1OC
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID652541,Cc1ccc2c(NC(=O)C3CC3)c(C)ccc2n1
+,,,,,0.0,,,,,,,,,,,,CID5308263,Cc1ccc2oc(=O)c3cnn(CC(=O)NC4CCCCC4C)c3c2c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1240575,Cc1cc(-c2ccc(/C=N/n3cnnc3)o2)c([N+](=O)[O-])cc1C
+,,,,,,,,,,,,,0.0,,,,CID7151648,COC(=O)CSc1nc2[nH][nH]cc-2c(=O)n1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID3239774,CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccccc3OC)o2)CC1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID648795,COCCn1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1
+0.0,,,,,0.0,,0.0,,,,1.0,0.0,,,,,CID960705,Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1
+,,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,CID650384,O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID306456,O=C(NCc1ccncc1)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5339139,COc1cccc(N/C=C2\C=CC(=O)C=C2O)c1
+0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,CID728385,O=C1c2ccccc2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2430446,O=C(OCC(=O)N1CCCc2ccccc21)c1ccc(Cl)nc1
+,,,,,,,,,0.0,,0.0,0.0,,,,,CID2999402,CC1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID663099,Cn1c(SCc2c(F)cccc2Cl)nnc1-c1cnccn1
+,,,,,,,0.0,,,,,,,,,,CID2871812,CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID3239694,O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)Nc1ccc2c(c1)OCCO2
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID2973471,CCCCCn1c(CNC(=O)CCC)nc2ccccc21
+,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID648773,CC(=O)Nc1nc(=O)c(Oc2ccccc2)c(C)[nH]1
+0.0,,,,,,,,,,,,,,,,,CID2124705,COC(=O)c1ccc(COc2ncnc3c(Cl)cc(Cl)cc23)o1
+,,,,,,,,,,,,,,0.0,,,CID573756,O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccs1
+,,0.0,,,0.0,,,,,,,0.0,,0.0,,,CID2959777,CCOc1ccc(NC(=O)NCCN2C(C)CCCC2C)cc1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,CID663459,CN(C)c1oc(-c2ccc(OCc3ccc(Cl)cc3)cc2)nc1C#N
+,,,,,,,,0.0,,,,,,0.0,,0.0,CID3236537,CCN(CC)CCNC(=O)C1c2ccccc2C(=O)N(C)C1c1cn(C)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2490376,Cc1cnc(NC(=O)CCNC(=O)c2ccccc2Cl)s1
+,,,,,0.0,,,,,,,,,,,,CID5335914,O=C1C=CC=C/C1=C\NN1C(=O)C2C3C=CC(CC3)C2C1=O
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID658164,Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC2CC2)n1
+,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,CID2217458,O=c1nc(NCc2ccco2)sc2ncccc12
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID1306464,COc1ccccc1-c1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2265994,CCCCOc1ccccc1NC1=NS(=O)(=O)c2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID656093,CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2
+0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID644518,CCOC(=O)c1ccccc1NC(=O)c1c(O)n(CC)c2ccccc2c1=O
+,0.0,,0.0,,0.0,,,,,,0.0,,,,,,CID659408,O=c1c2[nH]c3ccc(F)cc3c2ncn1CCCn1ccnc1
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID2945494,Cc1c(NC2=NC(=O)C(CC(=O)Nc3ccccc3)S2)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID2265830,C#Cc1cccc(NC(=O)c2cccc(N3C(=O)c4ccc(Oc5cccc([N+](=O)[O-])c5)cc4C3=O)c2)c1
+0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,CID1241915,O=C(c1ccco1)c1cn(CC(=O)N2CCCc3ccccc32)c2ccccc12
+,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,CID2366016,O=C(COC(=O)c1ccccn1)NCCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID12004491,COc1cccc(C(=O)/C=C2\Nc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3NC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1721016,O=C1/C(=C/c2cccnc2)Sc2ccccc21
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID2435699,Cc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c(C)o1
+,,,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,CID5389868,CCCCN1C(=O)NC(=O)/C(=C\NC2CCCCC2N)C1=O
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2923922,C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID4049441,CC(C/C=N/NC(=O)COc1cc(Cl)ccc1Cl)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID3242635,O=C(Nc1ccccc1C(F)(F)F)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
+,,,,,,,,,,,0.0,,,,,,CID16054,Oc1ccc2[nH]ccc2c1
+0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0,0.0,CID2098554,NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5310810,COc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1
+,,,,,,,,,0.0,,,,,,,,CID742639,COc1ccc(N2C(=O)CN=C2Nc2nc(C)cc(C)n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2272213,CCN1C(=O)/C(=C\c2ccc(OCCOc3cccc(OC)c3)cc2)SC1=S
+,,,,0.0,,,,,,,,0.0,,,,,CID651085,O=c1c2cnn(-c3ccccc3)c2nnn1Cc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID3410430,C#CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2cc(S(N)(=O)=O)ccc21
+,,0.0,,,,,,,,,,,,,,,CID2961161,CC1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC(C)O1
+,,,,,,,,,,,0.0,,,0.0,0.0,0.0,CID953146,CCn1nnc(NC(=O)c2ccccc2Br)n1
+,,,,,,0.0,,,,,,,,,,,CID242300,CSc1nc(=O)cn[nH]1
+,,,,,,,,,,,,,0.0,0.0,,,CID3154680,O=C(CNC(=O)C(c1ccccc1)c1ccccc1)OCC(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID6235472,COc1cc(/C=C/C(=O)O)cc2c1OCCO2
+0.0,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID645959,COc1cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc(OC)c1OC
+,0.0,,,,,,,,,,,,,,,,CID644702,Cc1cccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)c1
+,,,,,,,,,,0.0,,,,,,,CID3200707,O=C(NC1CCCCC1)C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID790317,O=C(Nc1ccc(Cl)cn1)c1cccc(F)c1
+,,,,0.0,,,,,,0.0,0.0,,,,0.0,,CID2959664,Cc1ccc(C(=O)O)cc1S(=O)(=O)NCC1CCCO1
+,,,,,,,,0.0,,,,,,,,,CID866249,Cc1ccc2c(c1)N(CC(=O)NCc1cccnc1)C(=O)CO2
+,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,CID973077,COc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
+,,,,,,0.0,,,,,,,,,,,CID5741204,O=C(NCCCn1ccnc1)C1=CNN2C1=NC(c1ccccc1)CC2C(F)(F)F
+,,0.0,,,0.0,,,,,,,,,,,,CID2161878,O=C(OCn1nnc2ccccc2c1=O)c1ccc2ccccc2n1
+,,,0.0,,,,,,,,,,,,,,CID2362837,CCOC(=O)c1[nH]cnc1C(=O)Nc1cccc(N)n1
+,,,,,,,,,,,,,,0.0,,,CID1871850,O=C1N=C(c2ccc(Br)cc2)N/C1=C/c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1041882,CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)Cc1ccccc1
+,,,,,,,0.0,,,,,,0.0,,0.0,0.0,CID661310,Cc1c(N2C(=O)SC(CC(=O)O)C2=O)c(=O)n(-c2ccccc2)n1C
+0.0,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,CID683777,O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID744674,Cc1cc(C)c(C(N)=O)c(Nc2cccc3ccccc23)n1
+,,,,,,,0.0,,,,,,,,,,CID2121272,O=C(Nc1ccccc1C(=O)OCn1nnc2ccccc2c1=O)c1ccco1
+0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,CID644647,CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)NC3CCCCC3)cc2c1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,,CID658221,CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N
+,,,,,,,,,,,,,,0.0,,,CID6072558,COC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID16192036,Cn1cc(CN2CCCC(C(=O)c3ccc(-c4ccccc4)cc3)C2)cn1
+,,,,,,,,,,,0.0,,,,,,CID5913771,CCCCN1C(=S)SC(C)(C)C1/[N+]([O-])=C/c1cccnc1
+,,,,0.0,,,,,,0.0,,,,,,,CID658569,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,,,0.0,,CID666929,Nc1nc(CN2CCN(c3ccc(F)cc3)CC2)nc(N2CCCc3ccccc32)n1
+,,,,,,,,,,,,,0.0,,,,CID12005645,CC1CCC(NC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCC4)cc32)CC1
+,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,CID754039,Cn1cnnc1SCC(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2223282,Cc1ccc(OCC(=O)c2ccc(Cl)cc2)c(N2C(=O)CCCC2=O)c1
+,,,,,0.0,0.0,,,0.0,,,,,,0.0,0.0,CID649246,O=C(CN1C(=O)COc2ccccc21)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID912377,COc1cc(Cl)c(C)cc1NC(=O)c1cccc(OC)c1OC
+0.0,0.0,,,,,0.0,,,,,,,,0.0,,,CID1784167,COCCNc1ncnc2c1cnn2Cc1ccc(Cl)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID5308654,Cn1c(C(=O)N2CCN(c3ccccn3)CC2)cc2c(=O)n(C)c3ccccc3c21
+,,,0.0,,,,,,,,,,,,,,CID3237791,O=C(O)C1CCC(=O)N1C1CCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID3494860,COc1ccccc1-c1cc(C(=O)NCCc2ccccc2)no1
+,,,,,,,,,,,,,0.0,,,,CID5672488,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NNC(=O)C1CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID9567398,CC(=O)Nc1ccc(S(=O)(=O)/N=C2\C=C(C)C(N3Nc4ccccc4N3)=CC2=O)cc1
+,,,,,,,,,,,0.0,0.0,,,0.0,0.0,CID3240752,O=C(Cn1ccc2ccccc2c1=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID519663,CC(C(=O)c1ccccc1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID2352656,CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3ccccc3F)ccc21
+,,,,0.0,,,0.0,,,,,,,,,,CID568391,O=C1CC(N2CCSCC2)C(=O)N1CCc1ccccc1
+,,,,,,,,,,,,0.0,,0.0,0.0,,CID667353,Cc1oc2ccc(OC(=O)N(C)C)cc2c1C(=O)OC(C)C
+,,,,,,,,,,,,,,0.0,,,CID827779,O=C(NNc1nc(-c2ccccc2)cs1)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID2470203,O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
+0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,CID650195,O=C(NC1CCN(C(=O)NCc2ccccc2)CC1)c1ccco1
+,,,,0.0,,,,,,,,,,,,,CID2131570,O=C(NCCCN1CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID664029,COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1
+,,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID982241,COc1ccccc1N1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
+0.0,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,CID2999086,COc1ccc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccccc2)cn1
+,,,,,0.0,,,,,,,,,,,,CID5348674,O=C(O)CC1S/C(=N/N/C=C2\C=CC=CC2=O)N(c2ccc(O)cc2)C1=O
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+,,,,,,,,,,,,0.0,,,,,CID5309187,c1ccc(CN2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID875439,CCOc1ccc(Nc2ncnc3c2cnn3-c2ccccc2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID749688,CCC1CCC2(CC1)NC(=S)N(c1ccccc1)N2
+,,0.0,,,,,,0.0,,,,,,,,,CID3245924,COc1ccc(-c2noc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3570207,CC(C)=C1C2CCC1C1C(=O)N(NC(=O)COc3ccc(Cl)c(C)c3)C(=O)C21
+,,,,0.0,,,,,0.0,,,,,,,,CID1219643,O=C(NC1CCCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
+,,,,,0.0,,,,,,,,,,,,CID9550737,Cn1c(C(=O)NCCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21
+,,,,,0.0,,,,,,,,,,,,CID914639,CC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1
+,,,,,0.0,,,,,,0.0,,,,,,CID2854488,CN1CCC(=NNC(=O)C(=O)Nc2ccccc2)CC1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5308850,Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)cc1
+,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,CID689978,Cc1cccc(NC(=O)COc2ccccc2)c1
+,,0.0,,,,,,0.0,,,,0.0,,0.0,,,CID3235657,COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(=O)c3ccc4c(c3)OCO4)c2cc1OC
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID2886310,CC1(C)OC(=O)CC1C(=O)NCc1ccccc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5308706,O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccc(Cl)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID1422324,O=C1NC(=S)N/C1=C\c1cccc([N+](=O)[O-])c1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID662966,CN1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID733687,CCCn1cnc2sc(CC)cc2c1=O
+0.0,,,0.0,,,,,,0.0,,,,0.0,,,,CID2918269,CC(NC(=O)C1CCC1)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID3224939,CC1Cc2ccccc2N1C(=O)CN1C(=O)COc2ccccc21
+,,,,,,,,,,,,,,,0.0,0.0,CID951939,S=C(c1ccc(N2CCOCC2)cc1)N1CCCCC1
+,,,,0.0,,,,,,,,,,,,0.0,CID648165,CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
+,,,,,,,,,,,,0.0,,0.0,,,CID651444,Cc1ccc(NC(=O)CS(=O)CC(=O)NCC2CCCO2)cc1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1475361,CCOC(=O)CN1N=C(/C=C/c2ccc(C)cc2)CCC1=O
+,,,,,,,,,,0.0,,,,,,,CID4979266,COc1cccc(-c2[nH]nc3c2C(c2ccc(C)o2)C(C#N)=C(N)O3)c1
+,,0.0,,,,,,,,,,,,,,,CID644691,Cc1ccc(Cn2nnnc2CN2CCC(O)(c3ccccc3F)CC2)cc1
+0.0,,0.0,,,,,,,,,0.0,,,,,0.0,CID1288179,CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2936268,CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2cccs2)C1=S
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID670741,CC(=O)N1CCN(c2cccc(C)c2C)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID3245344,CC#CCCCC(=O)Nc1ccc(C(=O)O)cc1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID3957,CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID934269,CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2229425,Cc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID658503,CCC(=O)NC(Nc1cccc(C)n1)(C(F)(F)F)C(F)(F)F
+,,,,,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,CID647345,CCn1c(Cc2ccccc2)nnc1SCC(=O)OC(C)C
+,,,,,,,,,0.0,0.0,,,,,,,CID935950,Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID5941427,Cc1ccc(S(=O)(=O)/N=C(/Nc2cccc([N+](=O)[O-])c2)c2ccccc2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID3155420,N#CC1=C(N)Oc2n[nH]c(-c3ccccc3)c2C1c1ccsc1
+,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,,CID671906,O=C(O)c1ccc(CSc2nnnn2C2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1742500,Cn1c(NC(=O)/C=C\c2ccccc2)cc(=O)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID5111649,O=C1C2=C(c3ccccc31)[N+](=O)C1CCCCC1N2[O-]
+,,,,,,,,,0.0,0.0,,,,,,,CID3227726,N#CCSc1ncccc1-c1nc2ccccc2[nH]1
+,0.0,0.0,,,,,,,,,,,,,,,CID876094,COc1cc(/C=N/n2nnnc2N)ccc1OCc1ccc(F)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2396153,Cc1cs/c(=N/c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1Cc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID5310167,OCCCC1=NC2=NC(c3ccccc3)=CC(c3cccs3)N2N1
+,0.0,0.0,,,,,,,,,,,,,,,CID2998682,CCN(C(=O)CN1CCN(c2ccc(OC)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,CID661164,Nc1ncn(C(=O)c2ccco2)n1
+,,,,,,,,,,,,,,0.0,,,CID5905031,CC1=CC(=O)/C(=C/NOCc2ccc(C)cc2)C(=O)O1
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID2529659,COCCn1cnnc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID650648,CCCNC(=O)c1nc2ncc(Br)cn2n1
+,,,,,0.0,,,,,,,,,,,,CID1974445,CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4882535,Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)no1
+,,,,,,,,,,,,,,0.0,,,CID1487802,CCOC(=O)Cn1nc(C)n(-c2ccc(Br)cc2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID655918,CC(C)n1c(NCc2c[nH]c3ccccc23)nc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,,0.0,CID3240428,Cn1c(C(=O)O)c(CC(=O)Nc2ccccc2F)c2ccccc21
+,,,,,,,0.0,,,,,,,,,0.0,CID5310135,O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NC1CCCC1
+,,0.0,,0.0,,,,,,,,,,,,,CID660141,CCOC(=O)C(NC=O)(NC(C)(C)C)C(=O)OCC
+,,,,,,,,,,,,,,0.0,,,CID1485387,O=c1oc(-c2ccc(F)cc2)nc2ccsc12
+,,0.0,,,,,0.0,,,,,0.0,0.0,,,,CID647625,COc1ccccc1OCCCn1cc(C(=O)c2ccco2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2909438,O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCc2ccccc2C1
+,,,,,,,,0.0,,,,0.0,,,,,CID3239869,CCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C
+,,,,,,,,,,0.0,0.0,,,,,,CID1778232,O=C1N=c2ccccc2=C1Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID3978879,CCCn1c(NC(=O)C23CC4CC(CC(O)(C4)C2)C3)nc2ccccc21
+0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID51703,CCN1CC=C(c2c[nH]c3ccccc23)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1488624,O=C(c1ccccc1)N1CCCC(c2ccc(Cl)cc2)=N1
+,,,,,,,,,,,,,0.0,,,0.0,CID2998613,CCn1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c(=O)c2ccc(C)nc21
+,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID2126580,Cc1onc(-c2ccccc2)c1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
+,,0.0,,,,,,,,,,,,,,,CID759055,COc1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID5308708,CCOc1ccc(C2CC(c3ccccc3C)N3NC(N)=NC3=N2)cc1
+0.0,,,,,,,,,,,,,,,,,CID4894361,CC(C)CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,,,,,,,0.0,,,,,CID3700333,CCN1c2ccccc2NC2C1C(C(C)=O)C(=O)N2c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID3207127,O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NCc1ccco1
+,,,0.0,0.0,,,,,,,,,,,,,CID2998400,Cc1csc(SC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)n1
+,,,,,,,,0.0,,,,,,,,,CID3092628,CCCCCC(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID3000024,COc1ccc(C2C(C(=O)OCC(=O)N3CCCCC3)CCC(=O)N2c2ccc(OC)cc2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID3238080,COc1ccc(C)cc1NS(=O)(=O)c1cccc2nonc12
+,,,,,0.0,,,,,,0.0,,,,,,CID2890469,CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID3245035,CC(NS(C)(=O)=O)C(c1cccs1)N1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1146043,CCN(CC)C(=O)Cn1cc(/C=C(\C#N)C(=O)N2CCN(c3ccccc3)CC2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID6411215,CN(C)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2170628,O=C(CCl)Nc1ccc(-c2ccccc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID76918,CCOC(=O)c1c(C)cc(=O)oc1C
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1787421,O=C(COc1ccc2ccccc2c1)NCCNC(=O)COc1ccc2ccccc2c1
+,,,,,,,,,,0.0,,,,,,,CID5346031,Cc1cccc(/C(N)=N/OC(=O)c2ccco2)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID715719,Cc1ccc(/N=c2/ssnc2Cl)cc1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID286520,CCOC(=O)c1ccc(N2C(=O)C=CC2=O)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID655514,COC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NCc2ccccc2)c2ccco2)c1
+,,,,,,,,,,,0.0,,,,,,CID606795,O=C(Nc1nccs1)c1sc2ccccc2c1Cl
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID670502,COc1ccc(NC(=O)c2cccs2)cc1OC
+,,,,,,0.0,,,,,,,,,,,CID5307346,COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)O)c(C)n3n2)c1
+,,,,0.0,,,,,,,,,,,,,CID3238666,COc1ccc(N2CCN(CCNC(=O)c3cccn4c(=O)c5ccc(Cl)cc5nc34)CC2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID841187,Cc1cc(OCc2ccc(C(=O)n3cccn3)o2)ccc1Cl
+,,,,,,0.0,,,,,,,,,,,CID5389797,O=C1CC(c2ccccc2)N2NC(NC(=O)c3ccccn3)=NC2=N1
+,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID574469,O=C(O)CCC(=O)N(Cc1cccs1)Cc1cccs1
+,,,,,,,,,0.0,,,,,,,,CID2980915,Cc1cccnc1NC(=O)C12CCC(C)(C(=O)O1)C2(C)C
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID1565321,C=CCNC(=O)CCCOc1cccc(C)c1
+,,,,,,,,,,,,,0.0,,,,CID2263920,CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2cccs2)sc(C)c1C
+0.0,,0.0,,,,0.0,,,,,0.0,,,,,,CID5307322,CCOC(=O)C1CCCN(c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)C1
+,,,0.0,,,,,,,,0.0,,,,,,CID3239601,O=C(NCc1ccc(F)cc1)C1CC(=O)N(CCc2ccccc2)C1
+0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID2964769,O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCCCn1ccnc1
+,,,,,,,,,,,,,,0.0,,,CID3220531,O=C(CSc1nnc(NC(=O)C2CC2)s1)NCc1cccs1
+,0.0,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,0.0,CID653934,COc1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(C)=O)c2)cc1OC
+0.0,,,,,,,0.0,,,,,,0.0,,,,CID664671,N#Cc1nc(-c2ccco2)oc1N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID881461,COc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br
+,,,,,,,,,,,,,0.0,,,,CID2419721,Cc1nc(OCc2c(C)noc2C)c2ccccc2n1
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID2917197,CCOC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID2245402,CCOC(=O)c1sc(NC(=O)CCSC)nc1C
+,,,,,,,,,0.0,0.0,,,0.0,,0.0,,CID1565331,O=C(CCCOc1ccc(Cl)cc1)N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5348496,COc1ccc(/C=N/n2cnnc2)cc1COc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1085563,COc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C
+,,,,,,,,0.0,0.0,,,,,,,,CID2769278,CN(C)S(=O)(=O)c1ccc(-c2csnn2)s1
+,,,,,,,0.0,,,,,,,,0.0,,CID662125,CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)C(C)N1CCc2cc(OC)c(OC)cc2C1
+0.0,,,,,,,,,,,,,,,,,CID618900,CCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID649782,CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(=O)Nc2cccc(C)c2C)N1
+,,,,,,,,,0.0,,,,,,,,CID1260746,CCOc1nc(N2CCCCC2)nc(-n2cc(-c3ccccc3)nn2)n1
+,,,,,,,,,,,,,0.0,,,,CID2407806,COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)c(OC)c1OC
+,0.0,,,,,,,,,,,,,,,,CID3115348,CCCOC(=O)NC(CC)COC(=O)Nc1cccc(C)c1C
+,,,,,,,,,,,0.0,,,0.0,,,CID2398047,CCNCc1nc(=O)c2cc(OC)c(OC)cc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID1471779,N#Cc1cc(N)ccc1Sc1ccccc1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID2669322,Cc1cc(C)n(-c2ccc(C(=O)Oc3ccc4c(c3)OCO4)cc2)n1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID2564633,COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3ccc(O)cc3c2=O)cc1OC
+,,,,,,,0.0,,,,0.0,,,,,,CID651450,COc1ccc(NC(=O)CS(=O)CC(=O)NC2CCCc3ccccc32)cc1
+0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,,CID1251850,Cc1cc(C)cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID649646,O=C(Cc1ccccc1)Nc1ccc2oc(-c3ccncc3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID801011,CCOC(=O)c1sc(NC(=S)NC(=O)CC(C)C)cc1C
+0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,CID2218971,Cn1c(Cc2cccs2)nnc1SC/C=C/c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2978546,CCOC(=O)C1=C(CSCC(=O)OC)NC(=O)NC1c1cc(C)ccc1C
+,,,,,,,,,0.0,,,,,,,,CID1306936,O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)NC1CCCCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID3177989,COCCCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
+,,,0.0,,,0.0,,,,,,,,,,,CID660631,COC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID2999726,c1ccc(-n2cnnc2SCc2cn3ccccc3n2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID12005041,CCCNC(=O)c1cc(-c2ccc(OC)cc2)n(CCCOC)c1C
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+0.0,,,,,,,,,,,,,,0.0,0.0,0.0,CID662038,O=C(NCc1ccccn1)c1coc(=O)c(Br)c1
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+,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID798382,COc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
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+,0.0,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID2356343,O=C(COc1ccc(Cl)cc1)OCC(=O)N1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID3855313,O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(F)cc2)c1O
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+0.0,,,,,,,,,,,,,,,0.0,,CID3243685,Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1
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+,,,,,,,,,,,,,,0.0,,,CID3221310,COc1ccc(NC(=O)N2CCCC2C(=O)NCc2ccc(C)cc2)cc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID3243037,CCN(CC)c1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(C)c1
+,,,,,,,,0.0,,,,,,,0.0,,CID808127,COc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID3237861,COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1
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+,,,,,0.0,,,,,,,,,,,,CID869208,Cc1ccc(N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2765873,CCOC(=O)C(CSCC(=O)c1ccc(Br)cc1)NC(=O)OC(C)(C)C
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID2190180,CC(=O)Nc1ccc(N/C=C/C(=O)C(C)(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID672376,CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/c1ccc(N(C)C)cc1
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+,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,CID2226145,COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID659184,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCC(C)(C)C1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID5310559,CCc1nc(SCc2ccc(C(=O)OC)o2)c2c(=O)n(C)c(=O)n(C)c2n1
+,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,CID655450,CCOc1ccc2nc(NC(=O)c3cnccn3)sc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID706990,COC(=O)c1cn(C(=O)c2ccccc2)c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID1894066,O=C1/C(=C/c2cccs2)N=C(c2cccs2)N1Nc1ccccc1
+,0.0,,,0.0,,,,,,,0.0,,0.0,,,,CID1045272,CCOC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1C
+,,,,,,,,,,,,,,0.0,,,CID4562974,O=[N+]([O-])c1ccc(Cl)cc1NCCCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID1362739,COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC
+0.0,,,,,,0.0,0.0,,,,,,,,0.0,,CID3620389,CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID2933368,CCN(CC)c1ccc(NC(=O)C2CC3CCC2C3)cc1
+,,,,,,,,,,,,,0.0,,,,CID16196991,CCOC1OC(C(=O)NCc2ccccc2)=CC(c2csc3ccccc23)C1CCCO
+,,,,,0.0,,,,,,,,,,,,CID2787239,O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID4256158,CCOc1ccc(NC(=O)N(CCC(C)C)C2CCN(C(C)=O)CC2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID3107378,CC(=O)N1N=C(c2ccc(C)cc2)OC1c1ccc(C)cc1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID655345,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)N(Cc3cccs3)C3CC3)C2)cc1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID659551,O=C1NC(=S)SC1=C1CCCCCC1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID650462,Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID2970203,CCCC(C)n1[nH]c(=O)c2c1NC(=O)CSC2c1ccc(OC)c(OC)c1
+0.0,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,0.0,,CID3237591,CCCCOc1ccc(C(=O)Nc2cccc(C)n2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID5310231,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)N1CCN(c2ccccc2)CC1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID625599,Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2C)n1
+,,,,,,,,,,,,,,,,0.0,CID2901731,CC(NC(=O)COc1ccccc1)C1COc2ccccc2O1
+,,,,,,,,,,,0.0,,,,,,CID2275256,Cc1ccc(SCCNS(=O)(=O)c2ccc(F)cc2)cc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID2897692,Cc1cc(C)n(CC(O)CN2c3ccccc3Sc3ccccc32)n1
+,,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,CID2998672,Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID4063068,C/C(=N\NC(=O)C(N)=O)c1ccc(OC(F)F)cc1
+,,,,,0.0,,,,,,,,,,,,CID1103644,Cc1cc(-c2ccccc2)nc2cc(C(=O)N3CCCc4ccccc43)nn12
+0.0,,0.0,,,,,,0.0,,,,0.0,,,,,CID3243352,O=C(CC1N=C2c3ccccc3N=C(SCc3ccc(F)cc3)N2C1=O)NCc1ccco1
+,,,,,,,,,0.0,,,,,0.0,,,CID774828,Cn1nnnc1SCC(=O)NCc1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID736392,COc1ccccc1NC(=O)N1CCN(c2ncccn2)CC1
+,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,CID644391,CCOc1ccccc1N(C(=O)CNC(=O)c1ccco1)C(C(=O)NC(C)(C)C)c1ccncc1
+,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,CID694923,CNc1nc(Oc2ccccc2C(=O)OC)nc(SC)n1
+,,,,,0.0,,,,,,,,,,,,CID1098035,COc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1
+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID5307919,CCOC(=O)N1CCC(NC(=O)c2cc3ccccn3n2)CC1
+,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,0.0,,CID764412,COc1ccc(C(=O)c2cnc(C(C)C)n2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID2847708,CCCCCC/C(=N\NS(C)(=O)=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID656047,COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID842176,C/C(=N\NC(=O)c1ccc2c(c1)OCO2)c1ccc(C(=O)O)s1
+,,,,,,,,,,0.0,,,,,,,CID4175133,O=C(N/N=C/C1CCCCC1)c1ccccn1
+,,,,,,,,,,0.0,,,,,,0.0,CID1867437,Brc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCCO4)nn12
+,,,,,,,,,,,,,,0.0,,,CID767721,Cn1ncc(Cl)c(Oc2ccc(Cl)cc2)c1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID850309,Cc1ccc(Oc2cc(-n3nc(C)cc3C)ncn2)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID5308650,COCCNC(=O)c1cc(-c2ccccc2OC)on1
+,,,,,,,,,,,,,,,0.0,,CID667213,CCCCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID1015180,COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID935604,Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCCC1
+,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,CID2128446,CC(C)(C)NC(=O)NC(=O)COC(=O)COc1ccc2c(c1)CCC2
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID663896,CCOC(=O)c1c(CN2CCN(CCO)CC2)n(C)c2cc(Br)c(OC)cc12
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID2864862,COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc2c(c1)OCO2
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+,,,,,,,,,0.0,,,,,,,,CID4878503,CCN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1
+0.0,,,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,CID652615,COc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21
+,,,,,,,,,,,,0.0,,,,0.0,CID666370,COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1
+,,,,,0.0,,,0.0,,,,,,,,,CID684082,O=C(Oc1cccc(-c2cnc3ccccc3n2)c1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID4642015,CN(C)S(=O)(=O)c1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1
+,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,CID5069368,O=C(Nc1ccccc1)c1cnc2n(c1=O)CCS2
+,,,0.0,,,,,,,,0.0,,,,,,CID2968385,CCC(C)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC
+,,,,,,,,,,,,,,0.0,,,CID975808,Cc1ccc(S(=O)(=O)NC(C)(C)CSc2ccccn2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2396426,COc1ccccc1N(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
+0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,CID664499,COc1ccc(-c2ccc(-c3noc(-c4ccccc4C)n3)c(OC)n2)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID4169669,CCC(CC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID4620051,CC(C)(C)NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID2202737,O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc21
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID3245144,O=C(O)C(Cc1ccccc1)n1cccc1
+,,,,,0.0,,,,,,,,,,,,CID2834334,CC(C)(C)NC(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID7151671,CC(C)NC(=O)CSc1nc2[nH][nH]cc-2c(=O)n1
+,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID2962048,O=S(=O)(c1ccccc1)N1CCN(CC(O)COc2ccc3c(c2)CCC3)CC1
+,,,,,,,,0.0,,,,,,,,,CID2770162,COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1
+0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,,CID654334,CC(C)N(C(=O)N1CCC(c2nc(-c3ccncc3)no2)CC1)C(C)C
+,,,,,,,,,,0.0,,,0.0,,,,CID12897,CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O
+,,,,,0.0,,,,,,,,,,,,CID2274178,O=C(COc1ccccc1F)Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID645240,O=C(c1ccccc1F)N1CCC(O)(c2cccnc2)CC1
+,,,,,,,,,,,,0.0,,,,,CID3244592,CCC(=O)N1CCc2cc(S(=O)(=O)NCCCN3CCN(Cc4ccccc4)CC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID12004795,COc1ccc(NC(=O)CCCn2c(=O)c3sccc3n(Cc3ccc(C)cc3)c2=O)cc1
+,,0.0,0.0,,,0.0,,,,0.0,,,,,,,CID887542,O=C(CCC1CCCCC1)Nc1ccccc1O
+,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID3241077,O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,CID2978782,CCOc1ccc(Oc2nc(Nc3ccc(C)cc3)nc(N(C)C)n2)nn1
+,,,,,0.0,,,,,,,,,,,,CID3405433,C/C(=N\NC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1)c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID1811956,COC(=O)Oc1ccc(/C=N/NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1OC
+,,,,,,,,0.0,,,,,,,0.0,,CID3238964,O=C(CCS(=O)(=O)c1ccc(Br)s1)N1CCc2ccccc21
+,,,0.0,,,,0.0,,,,,,,,,,CID2155717,COc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)o2)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID3206948,COc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,,,,0.0,CID846306,COc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1Br
+,,,0.0,,,,0.0,,,,,,,,,,CID5111059,CCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
+0.0,,,,,,,,,0.0,,,,,,,,CID3235772,O=c1c2cccnc2[nH]c(=S)n1CCCN1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,,,,,,,,,,CID569720,CN(C1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21)c1ccccc1
+,0.0,0.0,,,,,,0.0,,,,0.0,,,,,CID3238543,COc1cccc2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc12
+,,,,,,,0.0,,,,,,,,,,CID1325980,COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2872320,Cc1nn(Cc2ccccc2)c2c1C(c1ccccc1)C(C#N)=C(N)O2
+0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID750416,Cn1cnnc1SCC(=O)n1c2ccccc2c2ccccc21
+,,,,,,,0.0,,,,,0.0,,,,,CID832308,Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1
+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID723436,CN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
+,,,,,,0.0,,,,,,,,0.0,,,CID975197,O=C1CNC(=O)N1Cc1ccc(Br)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID2845086,CCOc1ccc(/C=N/N(C)c2ccccc2)cc1OC
+,,,,,,,,,,0.0,,,,0.0,0.0,,CID1242202,Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccncc1
+,,,,,,,,,,,0.0,,,,,,CID3143155,CCOC(=O)C(CC)Sc1nnc2cc(C)c3ccccc3n12
+,,,,,,,,,,,,,,0.0,,,CID739488,O=C(Cc1cccc2ccccc12)N/N=C/c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID3105413,O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1
+,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,CID3238221,CN1C(=O)OC(C)(CCc2ccccc2)C1(C)O
+,,,,,,,,,0.0,,,,,,,,CID655643,Cc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCCC3)c3cnc4ccccc4c3)n2)o1
+,,,,,,,0.0,,,,,,,,,,CID653604,Cc1cc2c(c(N3CCOCC3)n1)C(=O)OC2
+,,,,,,,,,0.0,,,,,0.0,,,CID2130130,COCCCNC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
+,,,,,,,,0.0,,,,,0.0,,,,CID2363668,CCOC(=O)c1sc(-c2ccc(Br)cc2)cc1N
+,,,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,CID1242553,COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID1262329,O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N(CCO)CCO)cc1
+,,,,,,,,,,,,,,,0.0,,CID1834058,Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(N3CCN(C)CC3)nc12
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID3242996,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccc2c1CCCC2
+,,,,,,,,,,,,,,,,0.0,CID2981373,Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1C(=O)CC(C)C2
+,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,CID941246,CCc1ccc(CCC(=O)Nc2nnc(CC)s2)o1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID653044,COCCCNC(=O)Cn1nnc(-c2ccc(NC(=O)c3ccccc3OC)cc2)n1
+,,,0.0,,0.0,,,,,,,,,,,,CID5308779,CC(=O)c1cccc(NC(=O)c2cc(C(C)C)on2)c1
+,,,,,,,,,0.0,,,,,,,,CID687164,COc1ccc(C(=O)NCc2cccnc2)cc1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,CID647834,COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC
+,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,CID666573,Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1
+,,,,,,0.0,,,,,,,,,,,CID666283,Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2CCCc2ccccc2)n(C)c1=O
+,,,,,,,,,,0.0,0.0,,,,,,CID9549095,CCSc1nc2c(c(-c3ccc(C)o3)c1C#N)CCCC2
+,,,,,,,,,,,0.0,,,,,,CID2531445,Cc1ccnc2nc(C(=O)Nc3nccs3)nn12
+0.0,,,,,,,,,,,,,,,,,CID658017,CCOC(=O)C1(C#N)C(c2ccsc2)C(C(N)=O)N2C=C(C(C)=O)C=CC21
+,0.0,,,,,,,,,,,,,,,,CID5309170,Cc1nc2c3ccccc3n(CC(=O)c3ccc(F)cc3)c(=O)n2n1
+,,,,,0.0,,,,,,,,,0.0,,,CID2164635,CCCCN(CC)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1006701,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCc3ccccn3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1865965,COc1ccc(/C=N/NC(=O)c2ccn[nH]2)cc1COc1ccc(Cl)cc1Cl
+,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,CID663456,CN(C)c1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5740564,CSc1ccc(/C=C/c2cc(=O)c3ccccc3[nH]2)cc1
+0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,CID3245819,CCc1c(C(=O)Nc2ccc(OC)cc2)[nH]c(C)c1C(C)=O
+,,,,,,,,,,,0.0,,,,0.0,,CID665115,O=c1c(-c2ccccc2)n[nH]c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2891952,CC(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)cc1
+0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID665051,CC1(C)CC(=O)c2cnc(NCC3CCCO3)nc2C1
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID647002,Cc1cccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)c1
+0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,,CID664476,Cc1ccc(-c2nc3cc(N)ccc3o2)c(C)c1
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3244418,CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,,CID3245209,Cc1ccc(C)c(N2CCN(C(=O)CCCOc3cc(=O)n(C)c4ccccc34)CC2)c1
+0.0,,0.0,,,,,,0.0,,0.0,,,,,,,CID655584,COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)ccc1O
+0.0,,,,,0.0,0.0,,,,,0.0,,,,,,CID800777,c1ccc(OCCn2c(-c3ccco3)nc3ccccc32)cc1
+,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID801462,Cc1cc(C)cc(OCC(=O)NC2=NCCS2)c1
+,,,,,,,,0.0,,,,0.0,,,,,CID11378,O=c1ccc2ccc[nH]c-2c1
+,,,,0.0,,,,,,,,,,,,,CID3244741,CC(NC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCCC3)cc2c1=O)c1ccc2c(c1)OCCO2
+,0.0,,0.0,,,,,,,,,,,,,,CID663602,COC(=O)C(C)NC(=O)Nc1ccccc1F
+,,,,,,,,,0.0,,,,,,,,CID3791476,CC1(C)C2(C#N)C(N)=NC3(OCCO3)C12C#N
+,,,,,,,0.0,,,,,,,,,,CID5290769,COc1cc2c(cc1OC)/C(=C/C#N)NC(C)(C)C2
+,,,,,0.0,,,,,,,,,,,,CID2886165,Cc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccccc3Cl)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID850091,COc1cc(C)c(Cl)cc1S(=O)(=O)n1ccnc1C
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID3238937,CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID3238846,CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=O)[nH]c4ccccc4c3=O)cc2)CC1
+,,,0.0,,,,,,,,,,,,,,CID4299103,COc1ccc(C(c2sc3nc(C)nn3c2O)N2CC(C)OC(C)C2)cc1OC
+,,,,,,0.0,,0.0,,,,,,,,,CID647212,O=C(Nc1cccnc1N1CCOCC1)c1cc2ccccc2oc1=O
+0.0,,,0.0,,,0.0,,,,,0.0,,,,,,CID2049975,Cc1cc(C)nc(SCc2n[nH]c(=S)n2C)n1
+,,,,0.0,0.0,,,,,,0.0,,0.0,,,,CID3236014,CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1cccc(C)c1
+0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,,,CID646466,O=C(c1cccs1)N(CC1CCCO1)c1nc(-c2ccccc2)cs1
+,,,,0.0,,,,,,0.0,0.0,0.0,,,,,CID2115978,COc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2975823,O=[N+]([O-])c1nn(-c2ccccc2)n(O)/c1=N/Cc1ccc2c(c1)OCO2
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID3241718,O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCN(c2ccccc2F)CC1
+,,,0.0,,,,,,,,,,,,,,CID5292794,Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID578057,O=C(O)c1cccc(/N=N/N2CCCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1471327,COc1ccc(C(=O)NC=C2C(=O)OC(C)(C)OC2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID5309909,Cn1c(C(=O)NCCN2CCc3ccccc3C2)cc2c(=O)n(C)c3ccccc3c21
+,,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID4068080,CCOC(=O)CSC(CC)C(=O)Nc1nnc(CC)s1
+,,,,,,,0.0,,0.0,,,,,,,,CID5389888,CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(O)c(OC)c2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2968817,COC(=O)C1=C(C)N(C(C)C)C(=O)C1(NC(=O)C1CCCCC1)C(F)(F)F
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID644641,Cc1cc(C)n2nc(C(=O)N3CCOCC3)nc2n1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID665119,CCCCN1C(=O)NC(=O)C2(Cc3cc(C)ccc3N(C)C2)C1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID2895747,Cc1cccc(NC(c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1
+,0.0,,,,,,,,,,,,,0.0,,,CID4658771,Cc1ccc2sc(NC(=O)CN3C(=O)CCC3=O)nc2c1C
+,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0,,CID647968,Cn1c(SCC2CCCO2)nnc1-c1ccncc1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID2941876,CS(=O)(=O)NC1c2cccc3cccc(c23)C1N1CCOCC1
+,,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,CID3241720,CCCCCC(=O)Nc1ccc(Cl)cn1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID649673,Nc1nnc(CSCc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID2866279,CCc1ccccc1N1C(=O)C2CC(C)=C(C)CC2C1=O
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID3237397,CCOC(=O)CNC(=O)c1nn(-c2ccc(OCC)cc2)c(=O)c2ccccc12
+,,,,,,0.0,,,,,,,,,,,CID666448,COCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C1c1ccc(O)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID692103,Cc1cc2nsnc2c(S(=O)(=O)NCC(=O)O)c1C
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID1245476,Cc1c(C(=O)Nc2nnc(C(F)(F)F)s2)oc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID5389427,CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2ccccc2OC)cc1
+,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,CID3238341,CCc1ccc(NC(=O)CSc2nc3cc(C(=O)OC)ccc3c(=O)n2Cc2ccco2)cc1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID2904147,COCC(C)NC(=O)c1ccc(N(C)C)cc1
+,0.0,,1.0,,,,,,,,,,,,,,CID4179438,CN(CCO)c1ncnc2nc[nH]c12
+,,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,0.0,,CID2225201,Cc1noc(C)c1C(=O)NCCCc1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID869886,O=C(O)/C=C/C(=O)Nc1ccccc1-c1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID667032,Nc1nc(CN2CCN(c3ccccc3)CC2)nc(N2CCCc3ccccc32)n1
+,,,,,,,,,,,,0.0,,,,,CID647654,CCCCCCC(=O)N1CCC(c2nc3n(Cc4ccccc4Cl)[nH]nc-3c(=O)n2)CC1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2951125,Cc1ccc(-c2nc(Nc3ccccc3)n[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2839452,O=C(CCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,0.0,,CID221045,O=C(O)CCN(CCC(=O)O)S(=O)(=O)c1ccccc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,CID652781,C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3242504,CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccco3)cnc21
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID665078,CC(C)n1c(-c2ccc(N(C)C)cc2)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID1258446,CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID975925,CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID965780,O=C(Nc1ccccc1N1CCCCC1)c1ccccc1F
+,,,,,,,,,,,,,,0.0,,,CID1910714,COc1ccc(/C=N/NC(=O)COc2cccc3ccccc23)c(C(=O)O)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2086353,COc1ccc(N2CCN(CC(=O)NC(=O)NC(C)(C)C)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID6614551,C/C(=N\OCC(=O)NN/C=C1\C=CC=CC1=O)c1cccs1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID4287548,CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(c1=O)SC(C)C2
+,,0.0,,,,,,,,,,0.0,0.0,,0.0,,CID654153,Cc1ccccc1NC(=O)c1cccc2nccnc12
+,,,,,,,,,,,,,0.0,0.0,,,CID695926,Cc1cc([N+](=O)[O-])cc2c1-c1ncccc1/C2=N\c1ccccc1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID868758,O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID672009,Cn1c(N)c(C(=O)NCc2ccccc2)sc1=S
+,,,,,,,,,,,,,0.0,,,,CID887396,CSc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1
+,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,CID2558285,CCCc1cc(=O)nc(SCC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]1
+,,0.0,,,,,0.0,,,,,,,,,,CID3235936,CN(C)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID803954,COc1cccc(=O)c2c(C)n(-c3cc(C)cc(C)c3)c(C)c12
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID648837,CCN(CC)c1ccc(NC(=O)Cn2nnc(-c3cccc(OC)c3OC)n2)c(C)c1
+,,,,,,,,,,0.0,,,,,,,CID886110,COc1ccccc1NC(=S)NCCc1ccccc1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID664196,C=CCNc1ncnc2c1[nH]c1ccc(C)cc12
+,,,,,,,,,,,,,0.0,,,,CID2366866,Cc1csc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)n1
+,,,,0.0,,,,,,,,,,,,,CID2817312,CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O
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+,0.0,,,0.0,,0.0,0.0,,,,,,,,,,CID848458,Nc1[nH]c(SCc2ccccc2)nc(=O)c1-c1ccccc1
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+0.0,,,,,,0.0,,,,,,,0.0,,,0.0,CID2224385,CCCOc1c(Br)cc(C(=O)NCC)cc1OC
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+,0.0,,,,,0.0,,,,0.0,,,,,,,CID2727434,CCOC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1
+1.0,,,,0.0,0.0,,,,,,,,,,,,CID3242845,CC(C)(CC(=O)N1CCN(c2ccc(Cl)cc2)CC1)CC1=NS(=O)(=O)c2ccccc2N1
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+,0.0,,0.0,,,0.0,,,,,,,0.0,,,0.0,CID591296,CC(C)COC(=O)n1c(SCC(=O)N(C)C)nc2ccccc21
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+,,,,,,,,,,,0.0,,,,,,CID9550580,CCN(CC)CCCNC(=O)c1[nH]c(C)c(C(=O)NC2CCCCC2)c1C
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+,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,,,CID652074,COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)(C)C
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+,,,,,,,,,,,,0.0,,,,,CID599987,Nc1nonc1-c1noc(CCCN2C(=O)c3ccccc3C2=O)n1
+0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID666839,Cn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1
+,0.0,,0.0,,,,,,,,0.0,,,0.0,,,CID3239904,Cc1nc(NC(C)C(=O)O)c2nc(C)oc2n1
+,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,CID2237189,CCOc1cc(-c2nc(-c3ccccc3OC)no2)cc(OCC)c1OCC
+,,,,0.0,,,0.0,,,,,,,,,,CID3243876,CCN(CC)S(=O)(=O)N1CCC(C(=O)NCC2COc3ccccc3O2)CC1
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+,,0.0,,0.0,,,,,,,,,,,,,CID3242276,COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1
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+,,,,,,,,,0.0,,,,,0.0,,,CID2896630,O=C(C1COc2ccccc2O1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID1362623,COc1ccc(/C=N/N2CCOCC2)cc1COc1ccc(Cl)cc1
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+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3244125,CCn1ncc(C2=NOC(C(=O)Nc3cc(OC)c(Cl)cc3OC)C2)c1C
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+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID5389362,CCC(C)NC1=N/C(=C2\C=CC=C(OC)C2=O)Nc2ccccc21
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+,,,,,,,,,,,,,0.0,0.0,,,CID2358469,CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCOCC2)c1
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+,,,,,0.0,0.0,,,,,,,,,,,CID653599,CC1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1
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+,,,,,,,,0.0,,,,,,,,,CID2111348,CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)NC2=NCCS2)c1
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+,,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID651064,COc1ccc(CCNC(=O)Cn2nnc(-c3cccs3)n2)cc1OC
+,,,,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,CID811874,COC(=O)Nc1sc(C)nc1-c1ccccc1
+,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,,0.0,CID2800318,CN(C)/C=N/c1c(C#N)cnn1-c1ccccc1
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+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID2414862,CCCC(=O)Nc1nc2ccc3nc(C)sc3c2s1
+0.0,,,,,,,,,,,,,0.0,,0.0,,CID1269615,O=C(Nc1nccs1)c1ccc(COc2ccccc2Br)o1
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+0.0,,0.0,,,,,,,,,,0.0,,,,,CID3545528,CCn1cc(C2=NC(c3ccccc3)CO2)c2ccccc21
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+,,,,,,,,,0.0,,,,,,,,CID3129267,CCCCC(=O)NC(c1cccc([N+](=O)[O-])c1)c1c(OC(C)=O)ccc2ccccc12
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+,,,,,,,,,0.0,,,,,0.0,,,CID834470,Cc1ccnc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID629074,N#Cc1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N
+,,,,,,,,,,,,,0.0,,,,CID2852751,Cc1ccccc1C(=O)NN1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID2997855,CC1CCCC(NC(=O)CSc2ncccc2C(=O)O)C1C
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+0.0,,,,,,,,,,,,,,,,,CID653186,COc1cc(C(=O)NC2CC3CCCC(C2)N3CC(=O)Nc2ccccc2)cc(OC)c1OC
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+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID3242713,Cc1ccc(CSC2=Nc3ccccc3C3=NC(CCC(=O)NCc4ccco4)C(=O)N23)cc1
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+,,0.0,,,,,,,,,0.0,,,,,0.0,CID650968,Cc1ccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1
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+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID646246,CN1CC(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccccc2C1=O
+,0.0,0.0,,,0.0,,,0.0,,,,,,,,,CID659037,O=C(Nc1ncnc2c1CCC2)C12CC3CC(CC(C3)C1)C2
+,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0,CID723521,Cc1ccc(OCC(=O)NCc2ccco2)cc1C
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+0.0,,,,,,,,,,0.0,,,0.0,,0.0,0.0,CID3245608,COc1cc(NC(=O)c2noc3c2CCCC3)c(OC)cc1Cl
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+,,,,,,,,0.0,,,0.0,,,,,,CID1160340,O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)C1CCCCC1
+,0.0,0.0,,,,,,,,,,,,,,,CID1207917,COc1ccc(CCNC(=O)Cn2c(-c3nonc3N)nc3ccccc32)cc1OC
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+,,,0.0,,0.0,,,,,,,,,,,,CID661173,COCCNC(=O)Cn1nc(C)c2ccccc2c1=O
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+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,CID2999665,CN(C(=O)COc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2768405,CON(C)S(=O)(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)C1CCCN21
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+,0.0,,,,,0.0,,,,,,,,,,,CID665998,Cc1nn2c(N3CCOCC3)c3c(nc2c1-c1ccccc1)CCCC3
+0.0,,0.0,,,,,0.0,,,,0.0,,,,,,CID650083,O=C(CN1CCC(NC(=O)c2ccccc2)CC1)NCc1ccccc1F
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2770451,OC(COc1ccc2ccccc2c1)CN1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16189022,CCOC(=O)C1(CCOC)CCN(C(C)CCc2ccc(OC)cc2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID2764155,COc1ccc(C(=O)c2ccc(CC#N)s2)cc1
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID5309029,CC1CN(C(=O)Nc2ccc3snnc3c2)c2ccccc21
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+,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,CID658327,Cc1cc(C)n(C(=O)CSc2nc3ccccc3o2)n1
+,,,,,,,,,,,,,0.0,,,,CID2338176,COc1ccccc1CNC(=O)COC(=O)Cc1ccsc1
+,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,CID664757,CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3360806,COc1ccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc(OC)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID9550237,Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccnc4)CC3)sc2c1
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+0.0,,,,,,,,,,,,,,,,0.0,CID714306,CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2=O
+0.0,,,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,CID645502,O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1632377,Cc1ccc(S(=O)(=O)NNC(=O)CCC(=O)Nc2ccc(C)cc2C)cc1
+,,,,,,,0.0,,,,,,,,,,CID664404,CN(C)C(=O)C12CCC(C)(c3nc4ccccc4nc31)C2(C)C
+,,,,,,,0.0,,,0.0,,,,0.0,0.0,,CID665391,CC1CCc2sc3nc(NCc4ccco4)n4ncnc4c3c2C1
+,,,,,,,,,0.0,0.0,,,,,,,CID1257583,CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0,CID659472,CCOc1nnnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3
+,,,,,,,,,,,,,,0.0,,,CID16191662,COc1ccccc1CN1CCNC(=O)C1CC(=O)NCCCn1cccn1
+,,,,,,,,,,,0.0,,,,,,CID2098909,Cc1cc(OCC(=O)Nc2ccccc2F)nc(C(C)C)n1
+0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID2105999,O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cc(Cl)ccc1N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1364876,O=C(c1ccccc1)N1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
+,,0.0,,,,,,,,,,,,,,,CID5389204,CCOc1ccccc1N1C(=O)NC(=O)/C(=C\Nc2ccc(N(CC)CC)cc2)C1=O
+,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,CID658834,CCOC(=O)c1c2c(c(=S)n(-c3ccccc3)c1N)CCC2
+0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID3238804,Cc1cccc(-n2nnc(C(=O)NCc3ccccc3)c2N)c1
+,,,,,0.0,,,,,,,,,,,,CID3794166,Clc1ccc(Oc2ncnc3oc(-c4ccccc4)cc23)cc1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID2920847,C/C(=N\O)c1ccc(N2C(=O)C3CC=C(Cl)CC3C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID3908086,CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccccc3Br)o1)n2CCOC
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+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID714427,Cc1cc(C)n2nc(SCC(=O)c3ccccc3)nc2n1
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+,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,CID590148,CCOC(=O)C1Cc2ccccc2C(=O)O1
+,,,,,0.0,,,,,,,,,,,,CID1000289,Cc1cc(-c2ccccc2)nc2cc(C(=O)Nc3ccc(Cl)cc3)nn12
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+,,,,0.0,0.0,,,,,,,0.0,,,,0.0,CID3237067,CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID2089490,CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCc2ccc(OC)cc2)c1
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID662907,Cn1nc(SCC(=O)O)sc1=S
+,,,,,,,,,,,,,0.0,0.0,,,CID2358432,COc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1
+,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID653348,COc1cccc(-n2c(SCC(N)=O)nnc2-c2ccncc2)c1
+,,,,,,,,,,,,,,,,0.0,CID3236575,CCS(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2289625,CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
+0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID568416,Cc1cc(Cl)ccc1OCCCC(=O)NO
+,,,,,,,,,,,,,0.0,0.0,,,CID2206614,COc1ccc(S(=O)(=O)N2CCN(C(=S)NC3CCCCC3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1473822,O=C(Nc1ccccc1Cl)c1ccc(-n2cccn2)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID2178012,CN(Cc1ccccc1)c1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID900453,Cc1cc(C=C2C(=O)N(C)C(=S)N(C)C2=O)c(C)n1C1CCCC1
+,,0.0,,,,,,,,,,,,,,,CID650256,O=C(C1CCCN(S(=O)(=O)Cc2ccccc2)C1)N1CCc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID648220,Cc1oc(-c2ccc3c(c2)OCCO3)cc1C(=O)NC(CCC(=O)O)C(=O)O
+,,,,,,,0.0,,,,,,,,,,CID3423,COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Cc1ccccc1
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+,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,CID724147,CN1CCN(C(=O)c2ccccc2NC(=O)c2cccs2)CC1
+,,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,CID649267,COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1cccs1
+,,0.0,,,,,,,,,0.0,,,,,,CID655808,Cc1cc(C(C#N)c2ccccc2)n2ncnc2n1
+,,,,,,,,,,,,,,0.0,,,CID2122608,CC(=O)c1sc(NC(=O)COc2ccc(C(C)C)c(C)c2)nc1C
+,0.0,,,,,,,,,,,,0.0,,,,CID665440,O=C(NCCCN1CCOCC1)C1CSC2c3ccccc3C(=O)N12
+,,,,,0.0,,,,,,,,0.0,,,,CID2204318,O=C(Cc1ccccc1)Nc1cc(C(=O)c2ccccc2)ccc1N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID717160,CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID839419,COc1ccc2cc(S(=O)(=O)N3CCCCCC3)ccc2c1
+,,,,,,,,,,,,,0.0,,,,CID9550939,CCN(CC)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID3237849,CCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1
+,,,,,,,,,,,,,,,0.0,,CID571587,COC(=O)C(C)Sc1nnc(-c2ccncc2)o1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,CID913036,COC(=O)c1cccc(Nc2nc3ccccc3nc2C)c1
+,0.0,,,,,,,,,,0.0,,,,,,CID1091720,O=C(CN1CCN(c2ncccn2)CC1)c1ccc(F)cc1
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+,,,,,,,,,,,0.0,,,,,,CID902166,Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID885550,Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID3936928,Cc1ccc(/C=N/Nc2ncc(Cl)cc2Cl)s1
+,,,,,,,,,,,,,0.0,,,,CID15945658,CC1CCCC(=C\c2ccccc2)/C1=N/O
+,,,,,,,,,,,,,0.0,,,,CID839406,COc1ccc(CC(=O)Nc2cc(Cl)ccc2C(=O)O)cc1
+,0.0,,,,,,,,,,,,,,,,CID2999367,Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCCC(C)C2)n1
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0,CID1264900,CCn1c(SCC(=O)Nc2cc(C)c(Cl)cc2OC)nnc1-c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID783076,COc1ccccc1/C=C/CN1CCN(c2ccccc2)CC1
+0.0,,,,,,0.0,0.0,,,,,,,,,0.0,CID3243757,COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C2CC2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID3284377,COc1ccc(CC(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)cc1
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+,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,CID645552,CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1cccc(O)c1
+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,CID2609971,CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
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+,,0.0,0.0,,,,,,,,,,,,,0.0,CID1116277,CCOc1cc(C(=O)NCCN2CCOCC2)cc(OCC)c1OCC
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+,0.0,,0.0,,,,,,,0.0,0.0,,,,0.0,,CID5221793,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)s1
+,,,0.0,,,,0.0,,,,,,,,,,CID652190,Cc1onc(-c2ccccc2)c1C(=O)N1CCOCC1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID659914,O=c1[nH]c2ccccc2c(=O)n1-c1cccc(Cl)c1
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+,,,,,,,,,,,,,0.0,,,,CID2478581,Nn1c(Cc2ccc(Br)cc2)n[nH]c1=S
+0.0,,,,,,,,,,,,,,,0.0,,CID2999029,Cc1cc(Br)ccc1NC(=O)CNC(=O)CSc1n[nH]c(N)n1
+,,,,,,,,,,,,,0.0,,,,CID1034454,O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1788575,CCCC(=O)NNC(=O)Nc1ccccc1
+0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,CID657783,CC(=O)N(C(C)=O)c1c(C#N)c(C)n(-c2ccccc2)c1C(=O)c1ccccc1
+0.0,,0.0,,0.0,,,,,0.0,,,,,,,,CID648328,O=C(Cn1c(C(=O)NCC2CCCO2)cc2sccc21)c1ccccc1
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+,,,,,,,,,,,,,,,0.0,,CID828739,Nc1nc(NCc2c(F)cccc2Cl)nn1-c1ccccc1
+0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0,CID644954,Cn1c(CNC(=O)Nc2cccc(Cl)c2)nnc1SCc1ccccc1
+0.0,,,,0.0,,0.0,,,,,,,,0.0,,0.0,CID2214022,CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1522597,COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCOCC4)ncnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID1484615,COc1ccc(/C=C/S(=O)(=O)NCc2ccccc2)cc1OC
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+,,,,,,,0.0,,,,0.0,,0.0,,,,CID1323136,COc1ccccc1NC(=O)COc1ccc(/C=N/n2cnnc2)cc1OC
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID655862,c1coc(-c2nn3c(-c4ccco4)nnc3s2)c1
+,,,,,,,,,,,,,0.0,,,,CID2363979,O=C(CSc1ncccn1)N1CCC(Cc2ccccc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID3228888,COc1ccc(-c2ccnc(SCC(=O)Nc3ccccn3)n2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,0.0,CID873995,CCC(=O)c1cc(-c2nc3ccccc3n2C)n(C)c1
+,0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,,CID664263,Cc1ccc2cc3c(NC(=O)c4ccco4)nn(CC(C)C)c3nc2c1
+,,,,,,,0.0,,,,,,,,,,CID5389002,COC1=CC(=O)/C(=C2/NNC=C2c2ccc3c(c2)OCCO3)C=C1
+,,0.0,0.0,,,,,,,,,,,,,,CID5389669,CC(C)Sc1nnc(C(C)NC(=O)OC(C)(C)C)o1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2433615,O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(Cl)cc1
+0.0,,,,,,0.0,0.0,,,0.0,,,,,,,CID2529678,COc1ccc(C)cc1-n1nnnc1SCC(=O)c1cc(C)n(Cc2ccco2)c1C
+,,,,,0.0,,,,,0.0,,,,,,,CID2039735,CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,,CID649914,CCC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID718321,O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID1210990,c1ccc(-c2ccn3nnnc3n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID9550570,Cc1cc2nc(C)n(CCCNC(=O)Nc3ccc(F)cc3)c2cc1C
+,,,,,,,,,,,,,,0.0,,,CID9550549,CCN(CC)C(=O)C1CC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
+0.0,,,,,,,,,,,,,,,,,CID3239684,COc1ccc(-c2cc(C(=O)Nc3ccccc3SC)no2)cc1OC
+,,,,,0.0,,,,0.0,0.0,0.0,,,,,,CID791687,O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccccc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2942761,CC(C)(C)c1ccc(S(=O)(=O)CC(O)CSc2nc3c(cc2C#N)CCCC3)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2831180,O=C(Nc1ccccc1)NC1CS(=O)(=O)CC1O
+,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,CID1457965,COc1cc2nc(C3CCC3)n(NC(=O)C3CCC3)c(=O)c2cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2896280,CN(C)C(=O)c1ccc(-c2nnc(NCc3ccccc3)c3ccccc23)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID648655,O=C(Nc1ccccc1)NC1(C(=O)NCc2ccco2)CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID5911074,COc1ccc(C2C=C(c3ccccc3)N=C3N=C(NC(C)=O)NN32)cc1
+,,,,,0.0,,,,,,,,,,,,CID1334991,CCOc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(SC)cc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2354069,CS/C(=N\Cc1ccc(F)cc1)NS(=O)(=O)c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID839812,O=C(Nc1nccs1)c1ccc(Br)o1
+,,,,,,,,,,0.0,,,,,,,CID2116956,Cc1cccc(C)c1Nc1nnc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)s1
+0.0,,,,,,0.0,,,,,,,,,,,CID662485,CC1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(Cl)cccc2Cl)CC(C)O1
+,,,,,0.0,,,,,,,,,,,,CID1432601,O=C(O)c1cccnc1NC1CCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID700464,COC(=O)c1sccc1NC(=O)CSc1ccc(Cl)cc1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID785027,COc1ccccc1Nc1nc(-c2cccs2)cs1
+,,0.0,0.0,,,,,,,,,,,,,,CID651460,Cc1cccc(Nc2nc(NCc3ccco3)nc(N3CCOCC3)n2)c1
+0.0,,,,0.0,,0.0,,,0.0,,0.0,,,,,,CID384763,CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F
+,,,,,,,,,0.0,,,,,,,,CID3127806,Cc1cc(C)n(CC(O)COc2ccccc2)n1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID3243471,Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(CC(C)C)nc32)c1
+,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,CID3236751,CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21
+,0.0,,,,,,,,,,0.0,0.0,0.0,,,,CID3235987,CCOC(=O)N1CCC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)CC)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID2788357,O=C(NCc1ccccc1)C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,,,,CID749280,CC(C)c1ccc(C2=C(O)c3ccccc3C(=O)C2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID788497,CC(=O)C1=C(NCCc2ccccc2)CCC1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2478156,CCOc1ccc(OCCn2nnc3ccccc3c2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID678451,Cc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)c(C)c1
+,,,,,,,,,,,,,,,,0.0,CID648382,O=C(Cn1nc(C(F)(F)F)c2c1CCC2)NCc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1310235,Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)c1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID647309,Cc1ccc(C(=O)C(NC(=O)c2ccco2)N2CCOCC2)cc1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,,,CID651022,CCn1nnnc1SCC(=O)Nc1cccc(C)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID5207633,CCOC(=O)CC(NC(=O)c1ccc(C)cc1)c1ccc(C)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID660484,CC1CCc2cc(F)cc3c(=O)c(C(=O)Nc4cnccn4)c(O)n1c23
+,,,,,0.0,,,,,,,,,,,,CID4965560,COc1cc2c(cc1NC(=O)CN1CCN(S(=O)(=O)c3ccccc3F)CC1)oc1ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1912749,C=C1c2ccc(C)cc2NC(=O)N1CC
+,,,,,,,,,,0.0,,,,0.0,,,CID1154938,Cc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID2930113,CCc1cc2c(NC(C(=O)O)C(C)C)ncnc2s1
+,,,,,0.0,,,,,,,,,,,,CID4969672,COCCCn1cnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID2224568,C=CCSc1nnc(NC(=O)CSc2nnc(C)s2)s1
+,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,CID798850,CCn1c(/C=N/n2cnnc2)nc2ccccc21
+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID2514986,Cn1cnnc1SCC(=O)c1c[nH]c2ccccc12
+,,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,CID2309345,O=C(COc1ccccc1)Nn1cnc2ccccc21
+,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,,CID2062268,CCCc1cc(=O)nc(Nc2ccc(N3CCCCC3)cc2)[nH]1
+,0.0,,0.0,,0.0,,,,,,0.0,,,,,,CID231587,O=c1[nH]c(-c2ccccc2)c(-c2ccccc2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2984597,Cc1cc(C)cc(NC(=O)c2cccc(NC(=O)C3C4CC5OC(=O)C3C5C4)c2)c1
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID2997927,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)NC2CCCCC2)cc1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID648483,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(NC(C)=O)cc1
+0.0,,0.0,0.0,,,,,,,0.0,,,,,,,CID662651,Cc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1
+,,,,,,,,,,,,0.0,,,,,CID654940,COC(=O)C1(C)NC(c2cccs2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID1512403,Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3-n3nc(C)cc3C)CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID644423,CC(Oc1ccc(Cl)cc1Cl)C(=O)NCCCn1ccnc1
+,,0.0,,,,,0.0,,,,,,,,,,CID1459738,Cc1cnc(C(=O)Nc2ccc3c(c2)CCC3)cn1
+0.0,,,,0.0,0.0,,,,0.0,,,,,,,,CID645435,COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCCC1
+0.0,,,,,,,,,,,,,,,,0.0,CID729887,O=C(NCCC1=CCCCC1)c1ccc(Br)o1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID3241274,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc2c(cc1Br)OCO2
+,,,,,,,,,,,,,,0.0,,,CID1263562,COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCc2ccccc2)CC1
+,,,,,,,,0.0,,,,,,0.0,,,CID2980821,CCN(CC)S(=O)(=O)c1cc(Br)c(C)cc1OC
+,,,,,,,,,,,0.0,,,0.0,,,CID2451137,Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
+,,,,0.0,,,,,,,,,,,,,CID662697,COC(=O)c1[nH]c2cc(OC)ccc2c1N
+,,,0.0,,,0.0,,,,,,,,,,,CID3245388,COC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1
+,,,,,0.0,,,,,,,,,,,,CID1163200,COc1ccc(NC2=C(c3ccc(OC)cc3)C(=O)c3ccccc32)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID1992449,CCOC(=O)CC(=O)CSc1ncc(C(=O)OCC)c(N)n1
+,,0.0,,,,,,,,,,,,,,,CID5771334,COC(=O)C1=NC2=NC3=C(C(=O)CCC3)C(c3ccccc3OC)N2N1
+,,,,,,0.0,,0.0,0.0,0.0,,,,,,,CID665126,CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)COC)cc1
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+,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0,CID658445,CC1(C)CC(=O)C2=C(C1)N(c1cccc(O)c1)C1=C(C2)C(=O)CC(C)(C)C1
+,,,,,,,,,,,,,0.0,,,,CID892211,O=C(CNS(=O)(=O)c1ccccc1)Nc1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,,,,,,,,,,CID663181,Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1
+0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,,CID1262175,O=C(NC1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID971881,O=C(Nc1cccnc1)Nc1ccc(F)c(Cl)c1
+,0.0,,0.0,,,,,,,0.0,0.0,,,,,0.0,CID666271,Cc1nnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)s1
+,,,,,0.0,,,,,,,,,,,,CID4607987,CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1
+0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,CID656264,CCOc1ccccc1NC(=O)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID938861,N#Cc1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2272182,Cc1ccc(CNC(=O)C(=O)NCc2cccnc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3240895,O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,0.0,,,,,,CID3387141,CC(=O)N1CCN(C(=O)CC2OC(=O)c3ccccc32)CC1
+,,,,,,,,,,,0.0,,,,,,CID1819632,Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(C)o3)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2292720,CCc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID4091637,CC(=O)NCc1nc2ccccc2n1Cc1ccccc1C
+,,,,,,,,,,,,,,0.0,,,CID2425988,Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1717753,CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)s1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID5307806,COc1ccc(C)cc1Nc1cc(C)nc2ncnn12
+,0.0,,,,,,,,,,,,,,,0.0,CID3605435,CC(C)CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,,,0.0,,CID662351,Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1/N=C/c1ccco1
+0.0,,,,,,,,,,,,,,,,0.0,CID2997834,O=C(COC(=O)CNC(=O)c1ccc(Br)o1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID12006147,Cc1ccc2cc(CCNC(=O)c3cccs3)c(=O)[nH]c2c1C
+,,,,,,,,0.0,,,,,,,,,CID661362,COc1ccc(Br)cc1C1SCCN1S(C)(=O)=O
+,,,,,,,,,,,0.0,,,,,,CID1316101,COc1ccc(N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)CC2)cc1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID1265599,CN1CCN(c2ccccc2NC(=O)c2cc(Br)ccc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID5832549,COc1ccc(/C(O)=C/C(=O)C(=O)NNC(=O)C(O)(c2ccccc2)c2ccccc2)cc1
+,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID650394,CCOc1c(Br)ccc2c1sc1nc[nH]c(=O)c12
+0.0,,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,CID651571,Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2o1
+,0.0,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,0.0,CID2051278,Cc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)o1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID2966395,COc1ccc(NC(=O)c2cccc(NC(=O)C3C4CC5OC(=O)C3C5C4)c2)c(OC)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID876453,O=C(Nc1ccccc1)c1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,,,,,,,,0.0,,,,,CID652838,O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCC1
+,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,CID2531984,Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID2449575,Cc1cc2ccccn2c1C(=O)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,,,,,CID650070,COc1ccccc1C(c1nnnn1C1CCCC1)N1CCN2CCCC2C1
+,,,,,,,,0.0,,,,,,,,,CID3135483,CC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
+,,,,,,,,,,,,,,,,0.0,CID646493,COc1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccc(O)cc3)CC2)cc1
+0.0,,,0.0,,,,,,0.0,,0.0,,,,,,CID3239968,CCCOc1ccccc1NC(=O)c1ccc(N)cc1
+,,0.0,,,,,,,,,,,,,,,CID661774,CCCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID658313,Cc1cc(C)n(S(=O)(=O)Cc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID2276435,COc1ccc2nc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3241190,Cc1ccc(C)c(NS(=O)(=O)c2cc(Br)cnc2N)c1
+0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID951071,CCOn1c(=O)c(-c2cc3ccccc3o2)[n+]([O-])c2ccccc21
+0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID3240330,O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccc(F)cc2)CC1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID2913074,CCOC(=O)N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)CC1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3236878,CC(C)Cn1c(-c2ccc(F)cc2)n[nH]c1=S
+,,,,,,,,,,,,,,,0.0,,CID796318,O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl
+0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,CID669283,O=S(=O)(Cc1ccccc1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID9551213,CN(C)CCNC(=O)CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID3144220,O=C(Nc1ncc(Cc2ccccc2)s1)C1CCCO1
+,,,,,,0.0,,,,,,,,,,,CID3236697,O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)on1
+,,,0.0,,,,,,,,,,,,0.0,,CID648946,COCCCNC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
+,,,,,,,,,,0.0,,,,0.0,0.0,0.0,CID2062369,O=C(CSc1n[nH]c(-c2ccncc2)n1)NCCc1ccccc1
+,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0,CID3245552,O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID684794,COc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID674516,O=C(Oc1nsnc1N1CCOCC1)c1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3238477,COc1ccc(N2C(=O)CCC(C(=O)NCCN3CCOCC3)C2c2ccc(OC)c(OC)c2)cc1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1896470,CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC(C)(C)OC2
+0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,CID648285,Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1
+,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,CID2896277,COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID2527342,O=C(Nc1ccc(Oc2ncccn2)cc1)c1ccco1
+,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,,CID652033,O=C(NCCCn1ccnc1)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID1517496,O=C(CSc1nc2ccccc2s1)c1cc2ccccc2o1
+,,,,,,,,,,,,,0.0,,,,CID1879980,COc1ccc(C(=O)NC(=S)NNC(=O)c2c(-c3ccccc3)noc2C)cc1
+0.0,,,,,,0.0,,,,,,,0.0,,,,CID2408758,c1ccc(OCCOc2ccccc2-c2nnco2)cc1
+0.0,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID1245155,Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1
+,,,,,0.0,,,,,,,,,,,,CID3851618,Cc1ccc(C(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)cc1
+,,,,0.0,,,,,,,,,,,,,CID2997824,CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCC(=O)NC2CCS(=O)(=O)C2)c1
+,,,,,,,,0.0,,,,,,,,,CID1894277,Cc1nn(-c2ccccc2)c2c1C(=O)N(c1ccccc1)C(=O)C(C)(C)C2
+,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,CID2583702,O=C(CC1CCCC1)Nc1nc2ccccc2[nH]1
+0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,0.0,CID661088,COCCNc1oc(-c2ccc(Cl)cc2)nc1C#N
+,,,,,,,,,,,,,,0.0,,,CID1458226,COc1ccccc1CNC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2548228,N#CCCN(C(=O)COc1ccc(Br)cc1F)c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID3222750,O=C(NCc1cccs1)C1CCN(C(=O)NCc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID9551875,C1=Nc2ccccc2/C1=C1\NN=C(SCc2cn3ccccc3n2)O1
+,,,,,,,,,,,,,,0.0,,,CID2164820,O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID1206720,Cc1ccc(C)c(N2C(=O)CS/C2=N\NC(=O)c2ccccc2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID714646,CC(C)NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID5310401,Cc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1
+,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,CID3238360,O=C(CN1CCCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21
+,,,,,0.0,,,,,,,,,,,,CID3273587,CC(=O)NC1=NN(C(C)=O)C(c2sccc2C)S1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID2901203,Cc1nnc(NC(=O)C2COc3ccccc3O2)s1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID821527,CCOC(=O)c1nnn(-c2ccc(OC)cc2)c1N
+,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,CID807852,COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(C)=O
+,,,,,0.0,,,,,,,,,,,,CID9551039,COc1ccc(-c2cc(C(=O)Nc3cc(C)nn3-c3ccccc3)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1047224,COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN(C)C)c23)c1
+,,,,,,,,0.0,,,,,,,,,CID2133034,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cccnc1
+,,,,0.0,,,,,,,,,,,,0.0,CID2986812,FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccco2)n1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID667237,Cc1cc2c(c(=O)n1CCCn1ccnc1)C(c1ccco1)C(C#N)=C(N)O2
+0.0,0.0,,,0.0,,,,,,,0.0,,,,0.0,0.0,CID2115176,CCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2056595,CCOC(=O)c1c(NC(=O)c2nn(CC)cc2Br)sc(C)c1C
+,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,CID655688,CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID659982,CCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1391573,COc1cccc(/C=C2\SC(=S)N(c3cccnc3)C2=O)c1OC
+,,,,,,,,,,,,,0.0,,,,CID1911572,Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccccc3)S2)cc1
+,,,,,,,,,0.0,,,,,,,,CID838350,Cc1cccc(-n2c(-c3ccncc3)n[nH]c2=S)c1
+,,,,,,,,,,,,,,0.0,,,CID903428,Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID4057982,CCC(=O)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccccc1
+,,,0.0,,,,,,,,,,,,0.0,,CID2155027,CCCCc1ccc(Nc2ncnc3nc[nH]c23)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID2228943,CCOc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2082,CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID1234055,c1ccc(OCc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID776686,O=C(CCC1CCCC1)N1CCN(C(=O)COc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2967146,CN(c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCCC1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID3238184,O=c1cc(Nc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID841271,Cc1cccc(NC(=O)NNS(=O)(=O)c2ccc(F)cc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID798765,COc1ccc(-c2ccc(CCC(=O)O)o2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID623158,C=CCc1c(C)nc(SC)nc1Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5834073,Cc1ccccc1NC(=O)c1ccc(NN/C=C2\C=CC=CC2=O)c([N+](=O)[O-])c1
+,,,,,,,,0.0,,,,,,,,,CID1091562,COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
+,0.0,,,,,,,,,,,,,,,,CID5308143,CC1CCN(CC(O)COc2cccc(F)c2)CC1
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+,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID645383,CCN1CCN(S(=O)(=O)Cc2ccccc2)CC1
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+,,,,,,,,,,,,,0.0,,,,CID683130,Cc1ccc2nc(-c3cccs3)oc(=O)c2c1
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+,,,,,0.0,,,,,,,,,,,,CID3493584,COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)NCCc4ccccc4)ccc3c2=O)cc1OC
+,0.0,0.0,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,CID2594412,O=C(CCCn1c(=O)oc2ccccc21)Nc1cccnc1
+,,,,0.0,,0.0,,,,,,,,,,,CID649293,CSc1nnc(-c2cnccn2)n1Cc1ccccc1
+,0.0,,,,0.0,,,,,,0.0,,,,,,CID654329,O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cccc(F)c1
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+,,,,,,,,,,,,,0.0,,,,CID3230513,COCCNC(=O)C(OC(=O)C1=Cc2ccccc2OC1)C(C)C
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+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID662336,COc1cc(-c2nnc3n2N=C(c2ccccc2)CS3)cc(OC)c1OC
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3241075,CC1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2902872,CC(C)(C)NC(=O)CC(c1ccccc1)c1ccccc1O
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID3238483,CC(C)(C)C(=O)CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID4350920,CCN(CC)CCNC(=O)c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,CID574188,O=C(c1cccs1)N(C(=O)c1cccs1)c1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID1910647,O=C(N/C(=C/c1ccc2c(c1)OCO2)C(=O)N1CCOCC1)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1918330,CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1
+0.0,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,CID659790,Cc1cccc(NC(=O)c2cc(N3CCOCC3)nc3ccccc23)c1
+,0.0,,,,,,,,,,,,,,,,CID2549699,Cc1cc2oc(=O)cc(COC(=O)Cn3cnnn3)c2cc1C(C)C
+,,,,,,,,,,,0.0,,,,,,CID858910,CCOc1ccc(-c2nnn(CC#N)n2)cc1OC
+0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID649442,CC(C)n1nnnc1SCC(=O)NCc1cccs1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID648045,CCOc1ccccc1-n1c(SCC(=O)N2CCOCC2)nnc1-c1ccccn1
+0.0,,,,,,,,,,,,,,,,0.0,CID649529,CC(C)NC(=O)Cn1c(SCC(=O)N2CCCc3ccccc32)nc2ccccc21
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+,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,CID2304153,COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID11841739,Cc1ccc(NC(=O)C(C)c2ccc(-c3ccccc3)c(F)c2)cc1
+,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,CID3236183,CC(=O)c1cccc(NC2=c3ccccc3=NC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID697265,CC(=O)c1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
+0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,0.0,CID736351,Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1
+0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID665150,C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID2979898,CCOC(=O)C1=C(CNCc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C
+,,,0.0,,,,,,,,,,,,,,CID5742468,CN1CCN(S(=O)(=O)c2ccc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)nc2)CC1
+0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID650391,Cc1cccnc1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID755501,COCn1c(-c2ccc(OC)cc2)nc2ccccc21
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID3240857,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(OC)c3OC)C2C1
+,,,,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,CID1263476,COc1cccc(N2C(=O)c3ccncc3C2=O)c1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID651246,COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(N)=O
+0.0,,,,0.0,,0.0,,,,,,,0.0,,,,CID1017647,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(OC(C)C)cc1
+,0.0,,,,,,,,,,,,,,,,CID5307559,COCCNC(=O)CN1C(=O)CSc2ncccc21
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID3242540,CCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c2cccnc12
+,,,,,0.0,,,,,,,,0.0,,,,CID1347475,N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID3239595,O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)N1CCN(C(=O)c2ccco2)CC1
+0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID663324,Cn1c(SCc2ccccc2F)nnc1-c1cnccn1
+,,,,,,,,,0.0,,,,,,,0.0,CID2841922,O=C(O)C1CCCCC1C(=O)NCCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID717259,CS(=O)(=O)N1CCN(CCCc2ccccc2)CC1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID750885,COc1ccc2c(c1)-c1nc(NC(=O)c3cccs3)sc1CC2
+,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,0.0,CID756377,CCN(CC)c1ccc2c(c1)oc(=O)c1c(Cl)cc(=O)oc12
+,,,,,,,,,0.0,,,,,,,,CID8768,O=Cc1ccc(O)c(O)c1
+0.0,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,,CID720263,O=C1C(Cl)=C(N2CCCCCC2)C(=O)N1c1ccccc1
+,,,,,,,,0.0,,,,,,,,0.0,CID2200704,CN1C(=O)c2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID2568921,CCn1c(=O)c(=O)[nH]c2cc(C(=O)NC3CC3)ccc21
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID942735,Cc1[nH]c(Nc2ccccc2)nc(=O)c1CCC(C)C
+,,,,,,,,,,,,,0.0,,,,CID3173737,CC1CCCN(S(=O)(=O)c2ccc(N(C(=O)c3cnccn3)C(C(=O)NC3CCCCC3)c3cccs3)cc2)C1
+,,,,,,,,0.0,,,,,,,,,CID1227317,CSc1nnnn1CCn1nnnc1SC
+,,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,CID806488,COc1ccc(C(=O)Oc2cccnc2)cc1OC
+0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID660808,CCCSc1nnc(NC(=O)Nc2ccccc2)s1
+,,0.0,,,,,,,,,,0.0,,,,,CID3236535,O=C(c1cc2ccccn2n1)N1CCC2(CC1)OCCO2
+,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,CID736314,O=C1c2ccccc2S(=O)(=O)N1Cc1nc2ccccc2s1
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+0.0,0.0,,0.0,,,,,,,,,,,,,0.0,CID657427,Cc1c(C(Nc2ccccn2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,0.0,,,,CID2162339,O=C(/C=C/c1ccco1)Nc1ccc2c(c1)OCCO2
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID5308584,CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)o1
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+,0.0,,,,,,,,,,,0.0,,,,,CID789284,CCN(CC)c1nc(SCC(=O)O)nc(N(CC)CC)n1
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+,,,,,,0.0,,,,,,0.0,,,,0.0,CID2943279,COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2
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+,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,0.0,CID650773,Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3239015,Cn1c(=O)cc(SCC(=O)NCC2COc3ccccc3O2)c2ccccc21
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID655659,COc1cc(C(=O)N2CCC(n3cnc4cc(F)ccc43)CC2)cc(OC)c1OC
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+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID691239,O=c1oc2ccccc2c2nccnc12
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+,0.0,,,0.0,,,,0.0,,,0.0,,,,0.0,,CID652928,Cc1csc(NC(=O)CSc2nnc(-c3cccs3)n2C)n1
+0.0,,,,,,,,,0.0,,,,,,0.0,0.0,CID3244453,CCC(=O)N1CC(=O)Nc2ccc(Cl)cc2C1c1ccc(F)cc1
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+,0.0,,,,,,,,,,0.0,0.0,,,,,CID3237920,Cc1ccc(OC(=O)CCc2c(C)nc3ncnn3c2C)cc1
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+,0.0,,,,,,,,,,,,,,,0.0,CID2999894,CC1CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC(C)O1
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+,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,CID644648,Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)Cc2cccs2)cc1
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+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID649922,Cc1ccc2c(c1)N(CC(=O)NCCc1c[nH]c3ccccc13)C(=O)CO2
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+0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,CID2343526,Cn1cnnc1SCC(=O)Nc1ccccc1Sc1ccccc1
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+,0.0,,,,,,,0.0,,,,,,,,,CID5308880,CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1
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+,,,,,,0.0,0.0,,,,,,,,,,CID653389,O=C(NCc1ccco1)C(C(=O)c1ccccc1)n1ccccc1=O
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+,,0.0,,,,,,,,,,,,,,,CID5389593,CCCCN1C(=O)NC(=O)/C(=C(\C)NC(Cc2c[nH]c3ccccc23)C(=O)OC)C1=O
+,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,,0.0,,,CID2551521,COc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)coc2c1
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+,,,,,,,,0.0,,0.0,,,,,,,CID2058362,CCCCc1c(C)c2cc(C)ccc2[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2107694,COc1ccccc1-n1cnnc1SCc1csc(-c2ccccc2)n1
+,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,CID656366,CCOc1ccc(C(=O)Nc2cccc(C)n2)cc1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,CID1508996,O=C(Cc1ccccc1)NCc1nc2ccccc2[nH]1
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+,,0.0,,,,,0.0,,,,,,,,,,CID653954,O=C(O)c1cccc2c1C(=O)N(Cc1ccncc1)C2
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+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID5308900,Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCCCCC1
+,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,CID659349,O=C(c1ccco1)N1CCN(C(=O)c2ccccc2OC(=O)C23CC4CC(CC(C4)C2)C3)CC1
+0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID866553,COc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
+0.0,,,,0.0,,,0.0,0.0,,,,,,,,0.0,CID652527,COCCNC(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1
+,,,,,,,,,,,0.0,,,0.0,,,CID933405,Cn1nnc(NC(=O)c2ccc3ccccc3c2)n1
+0.0,,,0.0,,,,0.0,0.0,,,,,,,,,CID660332,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCCC(C)C1
+,,,0.0,,,,,,,,,,,,,0.0,CID654840,CC1CCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)CC1
+,,,,,,,,,,,,,0.0,,,,CID826237,COc1ccc2nc(-c3ccccc3)cc(OC)c2c1
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+,,,,,,,,0.0,,,,,,,,,CID1007842,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccccc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2929286,CCOC(=O)C1CCN(C(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID370028,CCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID3660044,Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2888409,COc1ccc(C(CC(=O)c2ccc(O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1
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+,,,,,,,,0.0,,0.0,,,0.0,,0.0,,CID854704,CCCc1cc(=O)oc2cc3occ(C)c3cc12
+,,,,,,,,0.0,,,,,,,,,CID3212965,CC(C)n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2
+,,,,0.0,,0.0,,,,,,,,,,,CID649136,CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2403674,COCCn1c(C)cc(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c1C
+,,,0.0,,0.0,,,,,,,,0.0,,,,CID852586,CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID4770985,O=C(O)c1cccc(-c2nnn(Cc3ccccc3)n2)c1
+,,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID706240,O=C(c1ccncc1)N1CCN(C(=O)c2ccncc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID713674,COc1ccccc1CSc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2090859,O=C(COc1ccc(-n2cnnn2)cc1)NCCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID3622625,O=C(Nc1ccccc1Br)C1CCC(=O)N1Cc1ccccc1Cl
+,,,,0.0,,,,,,,,,,,,,CID2862167,COC(=O)c1sc(NC(=O)C2CCCO2)c(C(=O)OC)c1C
+,,,,,0.0,,,,,,,,,,,,CID670178,COc1cc(SC)ccc1C(=O)N(C)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID877814,COc1ccccc1NC(=O)c1ccc(C(=O)c2ccccc2)o1
+,,,,,,,,,,,,,,,0.0,0.0,CID645309,COc1ccc(CNC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)cc1
+,,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,CID2097097,O=C(OCc1nc(=O)c2ccccc2[nH]1)c1cccs1
+,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID972740,CCOC(=O)N1CCN(c2cc3[nH]c(=S)[nH]c3cc2F)CC1
+,,,,0.0,0.0,0.0,,,,,,,0.0,,,,CID652924,CC(=O)c1c(C)nn(CC(O)Cn2c3c(c4cc(C)ccc42)CCCC3=O)c1C
+0.0,,0.0,,,,,,,,,,,,,,,CID2998794,CN1CCN(c2ccc(Cl)cc2NS(=O)(=O)c2ccccc2Cl)CC1
+,,,,,,,,,,,0.0,,,,,,CID1100442,O=C(N/C(=C/c1cccs1)C(=O)N1CCCCCC1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2363952,Cc1noc(C)c1COC(=O)c1cccc(N(C)C)c1
+,,,,,,,,,0.0,,,,,,0.0,,CID2165075,CC(=O)Nc1c(O)nc(SCC(=O)Nc2nnc(CC(C)C)s2)[nH]c1=O
+,,,,0.0,0.0,0.0,,,,,,0.0,,,,,CID4277982,COc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3c(c2=O)SCC3)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID5308614,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID651864,COC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
+,0.0,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,CID653031,CC(=O)c1c(C)n(-c2ccc(N(C)C)cc2)c2ccc(OCC(N)=O)cc12
+,,,,,,,,,,,,,,0.0,,,CID3155568,COc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID1295430,COC(=O)c1ccc(C(=O)OC)c(NC(=O)Nc2ccc3c(c2)OCO3)c1
+,,,,,,,,0.0,,,,,,,,,CID5064440,CC(SC1=NCCS1)C(=O)Nc1nnc(-c2ccc(F)cc2)s1
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,CID2212896,COc1ccc(CCCc2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1072972,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID3721923,COc1ccc(-c2noc(CCC(=O)N3CCN(C)CC3)n2)cc1
+,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,CID98630,COc1ccc(C2(C(=O)O)CCCC2)cc1
+,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,,CID3238805,CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1OCC
+,0.0,,,,,,,,,,,,,,,,CID3243883,O=C(Cc1ccc(-n2cccc2)cc1)N1CCN(c2ccccc2F)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID2394574,O=C(OCc1ccc(COC(=O)c2ccccn2)cc1)c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1434102,COc1cccc(NC(=O)CSc2nnc3cc(C)nc(N)n23)c1
+,,,,,0.0,0.0,,,0.0,,0.0,,,,,,CID2840251,OC(C#CCN1CCCCC1)c1ccccc1
+,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,CID3240630,Cc1ccccc1-n1c(=O)cc(NCc2ccc3c(c2)OCO3)[nH]c1=O
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+,,,,,,,,,,,,,0.0,,,,CID3512309,O=C(CN1CCCc2ccccc21)Nc1ccccc1[N+](=O)[O-]
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,CID3240071,CC(C)c1cc(C(=O)Nc2cccc(Cl)c2)no1
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+,,,,,,,,,,,,,0.0,,,,CID1239988,COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(C)cc1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,CID652139,CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)s1
+,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,CID653736,Cn1c(NC(=O)c2cccnc2)nc2ccccc21
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3243212,COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccc(Br)c1
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+,,,,,,,,,,,0.0,,0.0,,,0.0,CID659218,CC(=O)OC1CSCC1NC(=O)c1ccccc1
+,0.0,,,,,,,0.0,,,0.0,0.0,,,,,CID1251288,Cc1cc(NC(=O)c2cnn3cccnc23)no1
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+,0.0,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID976722,O=C(c1cnsn1)N1CCN(c2ccccc2)CC1
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+0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,CID1078563,O=C(COc1ccc(Cl)cc1)Nc1ccccc1N1CCOCC1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID2240578,O=C(NCc1ccc2c(c1)OCO2)c1cc2ncc(Br)cn2n1
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+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID2054003,CCCCn1c(=O)c2ccccc2c2ccccc2c1=O
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+,,,,,0.0,,,,,,,,0.0,,,,CID958669,COC(=O)c1ccc(/C=N/NC(=O)c2ccc(C)cc2Cl)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID866908,COc1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID3243336,COc1ccc(C(CC(=O)N2CCC3(CC2)OCCO3)NS(=O)(=O)c2ccc(OC)cc2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID895772,CC(C)CCNC(=S)Nc1ccccc1F
+,,,,,,,,,,,0.0,,,,,,CID3192795,Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1
+,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID2968373,COc1cc(S(=O)(=O)NCC2CCCO2)c(OC)cc1Cl
+,0.0,,,,,0.0,0.0,,,,,,,0.0,,,CID2219063,CCCCn1nnc(NC(=O)COc2cc(C)ccc2C(C)C)n1
+,,,,,,,,0.0,,,0.0,,,,,,CID2787314,Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID666077,Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID4654549,CCCC(=O)NCCCc1nc2ccccc2n1CC
+,,,,,,,,,,0.0,,,,,,,CID716713,CCSc1nnc2nc(C)cc(C)n12
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID647605,O=C(Nc1nnc(CC(=O)N2CCCC2)s1)c1cnccn1
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+0.0,,,,0.0,,,,,,,,,,0.0,,0.0,CID646976,O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccco1)NC1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID2335414,CC(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,,,,,,,,,,,0.0,,0.0,,,,CID884957,COc1cc(OC)cc(C(=O)NC(=S)Nc2cccnc2)c1
+,,,,,,,,0.0,,,,,,,,,CID1205193,Cn1nnnc1SCC(=O)N1c2ccccc2Sc2ccc(Cl)cc21
+,,,,,0.0,,,,,,,,,,,,CID9531908,CCOC(=O)c1sc(N/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)c(C#N)c1C
+,,0.0,,,,,0.0,,,,,0.0,,0.0,,,CID2906544,O=C(c1ccco1)N(c1ccccn1)c1ccccn1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID5309085,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4CCN(C5CCCCC5)CC4)c3C2=O)CC1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID1398113,CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(c3ccccn3)CC2)s1
+,,,,,,,0.0,,,,0.0,,,,,,CID2810166,COc1ccc(-c2ccc(=O)[nH]n2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1020960,COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(COc3ccc(C)cc3[N+](=O)[O-])c2)cc1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID647122,COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1
+0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID3239507,COc1ccc(N(CC(=O)Nc2ccc(OC)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID873464,C=CCn1c(C)c(C(C)=O)c(N2CCOCC2)nc1=S
+,,,,,,,,,,,0.0,,,0.0,,,CID1020144,Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID895193,Cc1ccc(Cc2nc(-c3ccncc3)no2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4317937,CCN(CCC#N)c1ccc(/C=N/Nc2nc(=O)cc(C)[nH]2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID307090,Cc1cccc(NC(=O)Cc2ccccc2)c1C
+,,,,,,,,,,,,,,0.0,,,CID580547,O=C(NCCCn1ccnc1)C(=O)NCc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID714247,O=C(Nc1ccccc1N1CCOCC1)c1cccnc1Cl
+,,,0.0,,,,,,,,,,,,,0.0,CID2877718,CCOc1ccc(N2C(=O)CC(NCc3ccc(F)cc3)C2=O)cc1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,CID834458,COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OC
+,,,,,,,,,,,,,0.0,,,,CID713339,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1nccs1
+,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,CID646890,N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2146230,C=CCNC(=O)c1cc2cccc(OC)c2oc1=O
+,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,,CID715227,CCn1c(C)c(C(C)=O)c(N2CCC(C(N)=O)CC2)nc1=S
+,,,,,,,,,,,,,,0.0,,,CID2469237,COc1cc(/C=C/C(=O)OCC(=O)N2CCCCCC2)ccc1OCC#N
+,,0.0,,0.0,,,,0.0,,,,,,0.0,,,CID3243705,O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC1CCCCCC1
+,,,,,,,,,0.0,,,,0.0,,,,CID1243261,CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)c(Cl)c1
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID898384,COc1ccc(CCC(=O)N2CCc3ccccc32)cc1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID686269,COc1ccc(CCNC(=O)c2nonc2N)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID1473443,Cc1nn(CC#N)c(=O)n1-c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID661202,Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2cccnc2)s1
+,,,,,0.0,,,,,,,,,,,,CID11958903,CC(/C=N/NC(=O)C(O)c1ccccc1)=C\c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2224938,Cc1csc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)n1
+,,,,,,,,,,,,,0.0,,,,CID1478824,COc1ccc2c(c1)C=C(C(=O)OCc1cccnc1)CO2
+,0.0,,,,,,,,,,,,,,,,CID659518,COc1cc(/C=N/O)ccc1OCc1ccc(C(=O)O)cc1
+0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,,,CID667352,Clc1cccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)c1
+,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID663499,COc1ccc(OC)c(NC(=O)CCC(=O)Nc2nnc(C(F)(F)F)s2)c1
+0.0,,,0.0,,,,,,,,,,,,,,CID5308193,Cc1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
+0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,CID2200198,CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3cccs3)c(C)s2)c1C
+,,,,,,0.0,,,,,,,,,0.0,,CID3245096,O=C(C1CC(=O)N(C2CCCCC2)C1)N1CCC2(CC1)OCCO2
+,,0.0,,,,,0.0,0.0,,,,0.0,,,,,CID1130514,CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2c(CN2CCOCC2)c1O
+,,,,0.0,,,,,,,,,0.0,,,,CID649069,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1OC
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2955585,COc1ccc(NC(=O)N2c3ccccc3CC2C)cc1OC
+,,,,,,,,,,,,,0.0,,,0.0,CID654909,O=C1OC(Nc2ccc(F)cc2F)c2ccccc21
+,,,,,,,,,,,0.0,,0.0,,,,CID202792,O=c1cc(-c2ccccc2)nc2nc[nH]n12
+,,,,,,,0.0,,,0.0,,,,,,,CID650004,CCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID2765990,O=C(NCC1CCCO1)c1cc(C(=O)C2CC2)c[nH]1
+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID3240801,COC(=O)C(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1
+,,,,0.0,0.0,0.0,,,,0.0,,,,,,,CID2102842,Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID3158772,CCc1nc2ccccc2n1CC(O)COc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID649867,Cc1cccc2cc(CN(CCCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12
+,,,,,,,,,,0.0,,,,,,,CID3158535,O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2ccccc2c1
+,,,,,,,,,,,,,0.0,,,,CID974707,COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(C)cc1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID2981149,Cc1ccc(NC(=O)CC2SC3=NCCCN3C2=O)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID833421,CCN(CC)C(=S)NC(=O)c1ccc(OC)c(Br)c1
+,0.0,,,0.0,,,,,,,,,,0.0,,0.0,CID646918,CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1
+,,,,,,,,,0.0,,,0.0,,,,,CID5692638,N#CC(C(=O)COC(=O)CCCNC(=O)c1ccc(Cl)cc1)=C1Nc2ccccc2N1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID659212,COc1cccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)c1
+,0.0,0.0,,0.0,,,,0.0,,,,,,,,,CID2713239,COc1ccccc1CNC(=O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,,,1.0,,,,,,CID1234278,Nc1ncnc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12
+0.0,,,,,,,,,,,,,,,,,CID2224948,COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)n3N)oc12
+,,,,,0.0,,,,,0.0,,,,,,,CID2297467,Cc1cc(C)c(NC(=O)COc2ccccc2C(=O)Nc2ccc3c(c2)oc2ccccc23)c(C)c1
+,,0.0,,,,,,,,,,,0.0,,,,CID646127,CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1ccc2c(c1)OCCO2
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID2997538,C=CCn1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2scc(C3CC3)c2c1=O
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID629191,CCOC(=O)c1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1
+0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID664063,CC1(C)CC(=O)C2=C(C1)Oc1ncn(CCCn3ccnc3)c(=N)c1C2c1ccccc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID3239307,CCC(C)(C(=O)NC1CCCCC1)N(C(=O)C1CCC(=O)N1)c1ccc(C)cc1
+0.0,,,,,,,,,,,,,,,,,CID1244663,CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NCc3cccnc3)o2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID652503,CCOc1ccccc1NC1=NCC(=O)N1Cc1ccc(F)cc1
+,0.0,,,,,,,,,,,,,,,,CID5307969,CC(C)Cc1cc(C(=O)NCCN2CCOCC2)no1
+,,,,,,,,,,,,,0.0,,,,CID2275796,Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccsc3)C2=O)cc1C
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+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID654531,Cc1ccc(OCC(=O)Nc2nnn(C)n2)c(C)c1
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+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID1085301,COc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1NC(=O)c1ccco1
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+,0.0,,,,,,,,,,,,,,0.0,,CID2950978,NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(Cc3cccs3)C2=O)CC1
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+,,,,,,,,,,,0.0,,,,,0.0,CID807741,CCOc1ccc(Br)cc1/C=N/O
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+0.0,0.0,,,,,,0.0,,,,,,,,,,CID2084345,Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1C
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+,,,,,,,,,,,,,,0.0,,,CID4422714,O=C(CCn1c2c(c3ccccc31)CCCC2)NNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+,0.0,0.0,,,,,,,,,,,,,,,CID939372,CON(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
+,,,,,,,,,0.0,,,,,,,,CID661450,CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)CC1
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+0.0,,,0.0,,,0.0,,,,,,0.0,,,,,CID1248259,Cc1csc(NC(=O)CSc2nncn2C)n1
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+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID2353415,O=C(COC(=O)C1=COCCO1)Nc1ccccc1Oc1ccccc1
+,,,,0.0,,0.0,,,,,,,,,,,CID659797,CC(C)(NO)/C(=N/O)c1cccs1
+,,,,,,,,,,,0.0,,,,,0.0,CID1376272,COc1ccccc1N1CCN(Cc2ccc(OC)c3ccccc23)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID650947,Cn1c(=O)c2c(nc(SCC(=O)NCc3ccco3)n2C)n(C)c1=O
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+,,,,,,,,,0.0,,0.0,,,,,,CID951645,CC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
+,,,,,,,,,0.0,,,0.0,,,,,CID3237725,COCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1
+,0.0,,,,,,,,,,,,,0.0,,,CID662868,Cn1nnc(NC(=O)c2ccco2)n1
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID2240104,COc1cc(NC(=O)c2cc3nc(C)cc(C)n3n2)c(OC)cc1Cl
+0.0,0.0,,,,,,,,,,,,,,,,CID3239075,Cc1nc2nc[nH]n2c(=O)c1NC(=O)c1c(-c2ccccc2Cl)noc1C
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+,,,,,,,,,,,0.0,0.0,,,0.0,,CID649859,Nc1ccnn1C1CCNCC1
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+,1.0,,,,,,,,,,,,,0.0,,,CID756690,c1nc(N2CCCC2)c2[nH]cnc2n1
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+,,,,,0.0,,,,,,,,,,,,CID5348681,COc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)/C=C/c1ccccc1
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+,,,,,,,,,0.0,0.0,,,,,,,CID3153779,CC(C)(C)NC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)c1csnn1
+0.0,,,,,,,,,,,,,0.0,,0.0,0.0,CID721069,Nc1ccc2oc(-c3cccc(Br)c3)nc2c1
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,CID661350,COc1cccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN2CCOCC2)c1
+,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,CID972729,C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID4663943,CN(C(=S)Nc1ccc(F)cc1)C1(c2ccccc2Cl)CCCCC1=O
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID3244217,CCOc1ccc(N2C(=O)c3cccnc3C2Nc2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2439230,CC(=O)c1ccc(NC(=O)CN(C)CC(=O)Nc2cccc(F)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2876575,CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID1634749,COCCNC(=O)c1cc2sc3ccccc3c2s1
+,,,,,,,,,,,,,0.0,,,,CID2896733,Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,0.0,,,CID892696,S=C(NCc1cccs1)Nc1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID3663370,O=C(NC(=O)c1ccccc1)OCC1CCCN2CCCCC12
+,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,CID2235769,COc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)ccc3OC)n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID824775,Cc1c(-c2ccccc2)[nH]c(-c2ccccc2)nc1=O
+,,,,,,,,,,,,,,0.0,,,CID3121403,Cc1ccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1
+0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID647778,COc1cccc(Nc2cc(C)nc3ccccc23)c1
+,,0.0,,,,,,,,,,,0.0,0.0,,0.0,CID2983089,COc1ccc(NC2CCN(C3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2776131,NC(=O)C1CCN(C(=O)OCc2ccccc2)CC1
+,,,,,,,,,,,0.0,,0.0,,,,CID1728272,CCCOc1ccc(C(=O)NNC(=S)NC(=O)CC)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2089584,COc1ccc(C(=O)NC(C(=O)Nc2ccc(OC)nc2)C(C)C)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,0.0,,CID802602,COC(=O)CN(c1ccccc1OC)S(=O)(=O)c1ccccc1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2500137,Cc1cc(SCC(=O)NC(=O)NCc2ccco2)nc2c(C)cccc12
+,,,0.0,,,0.0,,,,,,,,,,,CID5389025,CCCCCN1C(=O)/C(=C(\O)OCC)C(=O)c2ccccc21
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID3149622,CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
+,,,,,,,,,0.0,,0.0,,0.0,0.0,,,CID849734,Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID667159,COc1cc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc(OC)c1OC
+,,,,,,,,,,,,,,,,0.0,CID664616,O=C(Cc1ccccc1)NC(NCCCN1CCOCC1)(C(F)(F)F)C(F)(F)F
+,,,,0.0,,,,,,,,,,,0.0,,CID2999196,O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2sccn12
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID1256158,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc(C#Cc3ccccc3)o2)CC1
+,,,,,,,,,,,,,,0.0,,,CID574132,O=C/C(=N\Nc1ccccc1)C(=O)c1cccs1
+,0.0,,,,,,,,,,,,,,0.0,,CID1633306,Cc1cc(=O)oc2cc(OCC#N)ccc12
+,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID666668,CCc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1
+,,,,,,,,,,,,,0.0,,,,CID972662,COC(=O)c1ccc(NC(=S)N2CCC(C(N)=O)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1367200,COC(=O)CN1C(=O)/C(=C/c2cc(OC)ccc2OC)SC1=S
+,,0.0,0.0,,,,,,,,0.0,,,0.0,,,CID665439,O=C(NCC1CCCO1)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
+,,,,,,,,,,,,,0.0,,,,CID3218229,CC(=O)c1cccc(NC(=O)N2C3CCC2CC(NC(=O)C2CC2)C3)c1
+,,,,,,,,,,,,,,0.0,,,CID1337080,CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
+,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,CID660703,COc1ccc(CC(=O)OCN2C(=O)c3ccccc3C2=O)cc1
+,,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID2999671,CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
+,,,0.0,,,,,,,,,,,,,,CID656228,O=c1c2c(n3nnnc3n1-c1ccccc1)-c1ccccc1CC21CCCC1
+0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,CID1119211,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID652362,O=C(CC1C(=O)OCN1C(=O)OCc1ccccc1)OCC(=O)c1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2770855,CC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O
+0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID3239615,COc1ccc(NC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
+,,,,,0.0,,,,,0.0,,0.0,,,0.0,,CID2998010,C=CCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C
+,0.0,,,,,,,,,,,,,,,,CID5307955,CSc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1
+,,,,,,,,,,,,,,,0.0,,CID898098,O=C(O)c1cc(/C=N/O)ccc1OCc1ccccc1
+,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,CID327470,CCOC(=O)c1ccc(NC(=O)N2CC(C)OC(C)C2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID2077685,O=C(CN(Cc1ccco1)C(=O)c1cc(=O)[nH]c2ccccc12)Nc1ccccc1Br
+0.0,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,CID650028,CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID5378018,CC1(C)Cc2ccccc2C2=NNC(=C3C=CC(=O)C=C3)N21
+,,,,,,,,,,,,,,0.0,,,CID2815021,Cn1c(N/N=C/c2cccs2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID4092728,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)o1
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID1293092,COC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,,,,,,,,,0.0,,,0.0,,,CID2531496,COc1ccc(CNC(=O)c2cnc(C)cn2)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID778392,COc1ccc(OC)c(S(=O)(=O)n2nnc3ccccc32)c1
+,,,,,,,,,,,,,,,0.0,,CID2566755,CC(=O)N1CCN(c2nc3cc4c(cc3nc2NS(=O)(=O)c2ccccc2)OCCO4)CC1
+0.0,,0.0,,,,,,0.0,0.0,,,,,,,,CID663051,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1209480,CNC(=S)N/N=C/c1ccc(OCc2ccccc2)c(Br)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1206494,CCC(=O)n1nc(-c2ccccc2)nc1SCC(=O)Nc1ccc(C)cc1
+,,0.0,,,,,,,,,,,,,,,CID2427932,O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1cnccn1
+,,,,,0.0,,,,,,,,,,,0.0,CID657968,Cc1sc2nc3n(c(=O)c2c1C)Cc1ccccc1-3
+0.0,,,,,,,,0.0,,,,,,,,,CID3236532,O=C1C2CCCN2C(c2ccc(Cl)c(Cl)c2)N1c1ccccn1
+,0.0,,0.0,,,,,,,,,,,,,,CID3245780,CCCCNC(=O)C1CC(=O)N(CCC(C)C)C1
+,,,,,,,,,,0.0,,,,,,,CID1999904,Cc1ccc(OCCN2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3235929,Cc1ccccc1-c1nc(CS(=O)CC(=O)NCCN2CCN(Cc3ccccc3)CC2)c(C)o1
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID657761,Cn1c(=O)c2c(nc(NCCCO)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O
+,,0.0,,0.0,,,,0.0,,,,,,,0.0,,CID651702,CCC(OC(=O)CCc1nc2ccccc2[nH]c1=O)C(=O)c1ccccc1
+,,,,,0.0,,0.0,,,0.0,,,,,,0.0,CID3238655,O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID870220,O=C(NN1CCOCC1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1503343,CCSc1nc(=O)c(CCOc2cccc(C)c2)c(C)[nH]1
+0.0,,,,,,,,,,,,,,,,,CID659094,CCOc1ccc(S(=O)(=O)N(C)C)cc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID648856,Cc1c(C(=O)Nc2ccc(-n3cnnn3)cc2)oc2ccccc12
+,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,0.0,CID666148,CCSc1nc(-c2ccco2)ccc1C#N
+,,,,,,,,,,,,,0.0,,,,CID1348408,CC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1
+,,,,,,,,,,,0.0,,,,,,CID831972,Cc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2C)no1
+,,,,,,,,,,0.0,,,,,,,CID3214725,CCc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)s1
+,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,CID651178,CCC(Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,,,,,,,0.0,,,,,,,,CID719959,CCOC(=O)N1CCN(C(=O)COc2ccc(Cl)cc2C)CC1
+,,,,,,,,,,,,,0.0,,,,CID2081314,O=C(Nc1nc2ccccc2[nH]1)C1CCC1
+,,,,,0.0,,,,,,,,,,,,CID2217512,Cc1ccc(C(=O)/C=C/Nc2ccc3c(c2)OCO3)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID2926676,O=C(O)C1CC(=O)N(CCOc2ccccc2)C1
+,,,,,,,,,,0.0,,,,,,,CID3119481,CCCCCCOc1ccc(OC(=O)c2ccncc2)cc1
+0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID652604,CC(=O)CSc1nnc(CSc2ncccn2)n1C1CCCCC1
+,,,,,,,,0.0,,,,,,,0.0,,CID3239434,O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCCCC1
+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID645522,CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)o1)c1ccccc1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID3239547,Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)cnn1C
+,,0.0,,,0.0,,,,,,,,,,,,CID3242560,O=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccnc2)C1
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID5309092,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCn5c4nc4ccccc45)C3)ccc21
+,,,,,,,0.0,,,,,,,,,,CID3426335,Cc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID2855331,Cc1ccc(C2CC(=O)NC(SCC(N)=O)=C2C#N)s1
+,,,,,,,,,,,0.0,,,,,0.0,CID648872,CC(C)NC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2200376,Cc1sc2nc(SCc3nc(-c4ccccc4)no3)n(-c3ccccc3)c(=O)c2c1C
+,,,,,,,,,,,,,,0.0,,,CID873865,Cc1ccc(/C=C/C(=O)NCc2ccco2)o1
+,,,,,0.0,,,,,,,,,,,,CID4420121,CCCCNC(=O)C(CC)Sc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N
+,,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,,CID793594,CCOC(=O)c1cnn(-c2ncnc3sc4c(c23)CCC4)c1N
+,,0.0,,,,,,,,,,,,,,,CID5309577,O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(Cc2ccccc2)CC1
+,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,CID934507,COc1cccc(NS(=O)(=O)c2cc(C)ccc2OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2395610,CCCCOc1ccc(/C=C/C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OCC
+,0.0,0.0,1.0,,,0.0,,,,,,,,0.0,,,CID756688,CCCN(CCC)c1ncnc2nc[nH]c12
+,,,,,0.0,,,0.0,,,,,,,,,CID2452629,Cc1nc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2s1
+,,,,,,,,,,,0.0,,,,,,CID2827250,O=C(Oc1ccc(/C=N/Nc2ccccc2)cc1)c1ccccc1
+,,0.0,,,,,0.0,0.0,,,,,,,,0.0,CID664857,COc1ccc2[nH]c3c(NCCN(C(C)C)C(C)C)ncnc3c2c1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID1085940,COc1ccc(OC)c(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)c1
+,,,,,,,,,0.0,,,,,,,,CID1085410,CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccc(F)cc1
+0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,CID655829,CCN(CC)c1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID645621,CCOC(=O)N1CCC(NCCNC(=O)c2ccc(Cl)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID725806,Cn1ncc(Cl)c1C(=O)Nc1ccc(Cl)cn1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID2958055,Cc1cc2c3c(c1)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)Oc2cc(O)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2948005,COc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCO2)c2ccc(F)cc2)cc1OC
+,,,,,,,,,0.0,,,,,,,0.0,CID2855190,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1ccc(N(CCC#N)CCC#N)cc1
+0.0,0.0,,,,,,,,,,0.0,,,,0.0,,CID647632,CC(=O)Nc1cc2c(=O)n(Cc3ccccc3)c(C)nc2cc1N1CCOCC1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,,CID653905,CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)n(C)n2)n1
+,,,,0.0,,,,,,,,,,,,,CID3245756,CCn1c(=S)sc2c(=O)n(-c3ccccc3)c(SC)nc21
+,0.0,0.0,,,,,,,,,0.0,,,,0.0,0.0,CID646296,Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID829194,CCN(CC)c1cccc(OC2=NS(=O)(=O)c3ccccc32)c1
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID2967017,COc1ccc(S(=O)(=O)N2CCCC(C(=O)N3CCOCC3)C2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID4164976,Oc1ccc(C2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1
+,,,,,,,,,,,0.0,,,,,,CID3222844,CCOc1ccc(NC(=O)C2CCCN(C(=O)Nc3ccccc3)C2)cc1
+0.0,0.0,,,,,,0.0,0.0,,,,,,,0.0,,CID659483,CCCn1c(O)c(C(=O)Nc2ccccc2C(=O)OC)c(=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID979607,COc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OC
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID573249,Cc1nnc(SCc2ccc(F)cc2)s1
+0.0,,,,,0.0,0.0,,,,,,0.0,,,0.0,,CID644561,COc1ccc(CCNC(=O)Cn2cnc3c(cnn3-c3ccccc3Cl)c2=O)cc1OC
+,0.0,0.0,,,,,,,,,0.0,0.0,,,,0.0,CID3237233,CN(CCCNC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,,,CID645364,Cc1ccc2c(c1)cc(CN(Cc1cccs1)C(=O)c1ccco1)c1nnnn12
+,,,,,,,,,,,,,,0.0,,,CID857064,CC(=O)c1cc2c(cc1NC(=O)C1CCC1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID883581,Cc1ccc(OCC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID901082,O=C(NNc1ccccn1)c1ccc(Cl)nc1
+,,,,,,,,,0.0,,,,,,,,CID4681038,O=c1[nH]c2ccccc2n1Cc1ccc(Cl)cc1
+,,0.0,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,CID2999542,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(c3cccs3)N(C)C)CC2)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID2464572,COCCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1
+,,,,,,,,,0.0,,0.0,,,,,,CID834922,O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID658929,CN1C(=O)NC(c2ccccc2)C2=C1CN(c1cccc(C(F)(F)F)c1)C2=O
+0.0,,,,,,,,,,,0.0,,,,,,CID5309259,COc1ccc(OC)c(NC(=O)C2CCC(CNc3c(N4CCC(C)CC4)c(=O)c3=O)CC2)c1
+,0.0,,,,,,,,,,,,,,,,CID4092759,CCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C
+,,,,,,,,,,,,,,,,0.0,CID645004,CC(C)OC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID584941,CC(=O)NCC1=C(NC(C)=O)C2CC1C(C)(C)C2C
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID943673,Cc1cc(C)nc(NC2=NCC(=O)N2CCc2c[nH]c3ccccc23)n1
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+,0.0,,0.0,,,,,,,,,,,0.0,,,CID655049,Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C
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+,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID2155824,CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3ccc(C)c(C)c3)o2)CC1
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2271058,CCCNC(=O)c1ccc(SC)cc1OC
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+,0.0,,,0.0,,,,,,,0.0,,,,,0.0,CID658440,CC1(C)Cc2c(c(-c3ccccc3)[nH]c(=O)c2C#N)CS1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID654253,Cc1cc(C)nc(N(C#N)CN2C(=O)c3ccccc3S2(=O)=O)n1
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID2058926,COc1cccc(OCCCCN2CCCCC2)c1
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+,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID2280852,COc1cccc(OCCOCCN(C)CCO)c1
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+,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID2566737,Cc1sc2nc(CSc3nc4ccccc4c(=O)n3CCCN3CCOCC3)[nH]c(=O)c2c1C
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+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID662806,COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
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+,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,CID1090897,CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCCCC1
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+,,,,,,0.0,,,,,0.0,,,,,,CID3245261,O=C(O)c1ccc(Cl)c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)c1
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3586053,O=C1CCCC2=C1C(c1cccnc1)Nc1ccccc1N2
+,,,,,,,0.0,,,,,,,,,,CID3241102,CCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O
+,,,,,,,,0.0,,,,,,,,,CID971169,Cc1cnc(NC(=O)CSc2nnc(C)s2)s1
+,,0.0,,,,,,,,,,0.0,,,,,CID3238462,CCOCCn1cnc2sc(C(=O)NCC(=O)OCC)c(C)c2c1=O
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+,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,CID2423645,COc1ccccc1NS(=O)(=O)c1cc(C)ccc1C
+,,,,,,,,,,,0.0,,,,,,CID2454955,O=C(c1ccc2ncsc2c1)N1CCN(c2ccc(O)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID825567,Cc1ccc(-c2ccc(/C=N/NC(=O)CN3CCCC3)o2)cc1Cl
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID663043,Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1
+,,,,,,,,,,,,,,0.0,,,CID4396316,CC(=O)NC1=NN(C(C)=O)C(C)(c2ccc(Br)cc2)S1
+,,,,,,,,,0.0,,,,,0.0,,,CID856231,O=C(CSc1n[nH]c(-c2cccnc2)n1)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3810813,CCS(=O)(=O)N1CCN(c2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])CC1
+,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID662046,CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID767194,O=C(CSc1nc2ccccc2s1)N1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID3152837,Cc1ccnc(NC2OC(=O)c3ccccc32)c1
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+0.0,,,,,,,,,0.0,,,,,,,,CID655009,CCc1ccccc1NC1=NCC(=O)N1Cc1ccccc1
+,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,CID2139378,C(=C/c1ccccc1)\C=N\n1cnnc1
+,,,,,0.0,,,,,,0.0,,,,,0.0,CID3237824,CC1CC(C)CN(CCCn2c(=S)[nH]c3ccccc3c2=O)C1
+,,,0.0,,0.0,,,,,,0.0,,,,,,CID1856740,COc1ccc(/C=C/C2=N/C(=C\N(C)C)C(=O)O2)cc1
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+,,,,,,,,,,,0.0,0.0,,,,,CID647718,Cn1cc(C(=O)c2ccc(F)cc2)cc1-c1nc2ccccc2n1C
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+,,,,,,,,,,,,,0.0,,,,CID1474368,Cc1ccc(S(=O)(=O)c2c(CO)c(-c3ccccc3)nn2C)cc1
+,,,,,,,,0.0,0.0,0.0,0.0,,0.0,,,,CID721013,CCOC(=O)c1cccc(Nc2ncnc3ccc(C)cc23)c1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID649327,CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1CC1CCCO1
+,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID650641,O=C(NCC(=O)N(CCc1ccccc1)C(C(=O)NC1CCCC1)c1cccnc1)c1ccco1
+0.0,,0.0,,,,,0.0,,,,,0.0,,,,,CID653894,COc1ccc(-c2csc(N3CCOCC3)n2)cc1OC
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+,,0.0,,,,,,,,,,,,,,,CID3242884,Cc1nc2ncnn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID3408816,COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2n1-c1ccccc1
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+0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,CID41368,CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1
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+,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID2840576,CN1C(=O)CC(N2CCN(c3ncccn3)CC2)C1=O
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID842250,Cc1cc(C(=O)N/N=C/c2ccccc2Br)no1
+,,,,,,,,,0.0,,,,,,,,CID2865304,CCNC(=O)C(C)Sc1ccc(Cl)cc1
+,,,0.0,,0.0,,,0.0,,,,,,,,0.0,CID745905,CC1(C)CC(=O)C(=CNc2ccccc2C(=O)O)C(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID3243437,CCCNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
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+,,,,0.0,0.0,,,0.0,0.0,,,,,,,,CID646736,CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID4391746,c1ccc2c(c1)OCC(CNc1ncnc3nc[nH]c13)O2
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID936578,CCc1ccccc1OCc1nnc(N)s1
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+,,,,,,,,,0.0,,,,,,,,CID1179062,CCN(CC)C(=O)CSc1nnc(-c2ccncc2)n1N
+,,,,,0.0,,,,,,,,,,,,CID3761375,CSc1nc(C)c2c(n1)N(c1ccc(C(C)C)cc1)CC2
+,,,,,,,,,,,,,,0.0,,,CID2963666,O=C(c1ccc(S(=O)(=O)NCC2CCCO2)cc1)N1CCN(c2ccccc2)CC1
+,0.0,0.0,,,,,,0.0,,,,,,,,0.0,CID3153010,COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1
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+,,,,,0.0,,,,,,,,,,,,CID3789519,COC(=O)c1ccc(-n2cncn2)c(F)c1
+,,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,CID782678,CCOC(=O)N1CCN(C/C(C)=C/c2ccccc2)CC1
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+,,,,,,,,,,,,,0.0,,,,CID3129461,COc1ccccc1C1OC(c2cccc([N+](=O)[O-])c2)=NN1C(C)=O
+,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,CID2999432,CC(C)C(NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)NCCc1ccccn1
+,,,,,,,,0.0,,,,,,,,,CID1068432,CCOC(=O)C1=C(Cc2ccc(OC)cc2)C(=O)c2ccccc2C1=O
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+,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID26880,CC(=O)Nc1ccc(-c2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID760577,O=[N+]([O-])c1cccc(/C=N/N2CCN(c3ccccn3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2318048,COc1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1OC
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+,,,0.0,,,,,,,0.0,,,,,,0.0,CID3240960,CCOC(=O)c1c(C)c(C(=O)Nc2cc(F)ccc2F)c(C)n1C
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+,,,,,0.0,,,,,,,,0.0,,,,CID3495924,CC(CO)Nc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3
+,,,,,,,,0.0,,,0.0,,,,,,CID1542591,O=[N+]([O-])c1ccc(Cl)c(/C=N/N2CCN(Cc3ccccc3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2079604,CN(C)S(=O)(=O)c1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccnc3)C2=O)cc1
+,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,CID666984,COC(=O)c1[nH]c2ccccc2c1NS(=O)(=O)c1ccc(F)c(C)c1
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+,,,,,,,,,,,,,,,0.0,,CID2999595,CCCNC(=O)NC(=O)CSc1nc2ccccc2n1CC(C)C
+,,0.0,0.0,,,,,,,,,,,,,,CID651977,C=CCN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
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+,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,CID661629,COc1ccccc1-n1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21
+0.0,,0.0,,,,,,,,,,,,,,,CID3237800,COc1ccccc1CNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1
+,,,,,,,,,,0.0,,,,,,,CID2092697,CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2c(OC)cccc2OC)cc1
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+,0.0,,,0.0,,,,,,,,,,,0.0,,CID4033962,COC(=O)C1(C(F)(F)F)N=C2Sc3ccccc3N2C(N2CCOCC2)=N1
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+0.0,,,,,,,,,0.0,,,,0.0,,,0.0,CID254792,O=c1cc(-c2ccco2)oc2ccc(Cl)cc12
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+,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,CID2123184,CCCn1c(N)c(-c2nc(-c3ccco3)c(C(=O)c3ccccc3)s2)c(=O)n(C)c1=O
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2874280,CC(NCC1CCCO1)=C1C(=O)CC(C)(C)CC1=O
+,0.0,,,,,,,,,,,,,,,,CID2307293,C=CCNC(=O)c1ccncc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID893717,Cn1c(=O)c2ccccc2n(Cc2ccccc2F)c1=O
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+,,,,,0.0,,,,,,,,,,,,CID9549605,Cc1cccc(OCC(=O)O/N=C(\N)c2ccccn2)c1C
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3244543,Cc1cc(C)c2ccc(N)nc2c1O
+,,,,0.0,0.0,,,,,,,,,,,,CID3239429,CSc1nc2sc3c(c2c(=O)n1C)CCC(C)C3
+,0.0,,,,,,,,,,,,,,,0.0,CID893460,O=C(O)c1cccc(COc2ccc(CO)cc2Cl)c1
+,,,,,,,,,,,,,,,,0.0,CID5389041,CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(\C)Cl
+,,,,,,,,,0.0,,,0.0,,0.0,,,CID650525,Cc1cc(C(c2nnnn2Cc2ccccc2)N2CCOCC2)c(C)n1-c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID5002100,O=C(CCCn1cnc([N+](=O)[O-])n1)Nc1ccc(F)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2540390,COc1cc(Cl)c(C)cc1NC(=O)CSc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID800093,S=c1[nH]nc(-c2cccc(Cl)c2)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID6077408,O=N/C(=C1\C=CC=CN1)C1CC1c1ccccc1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,,CID2999986,Cc1cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c(C)n1CC1CCCO1
+,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID3243993,CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID751095,O=C(NCc1nc2ccccc2[nH]1)c1cccs1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID892065,O=C(NCc1ccccc1)c1ccc(COCC(F)(F)F)o1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID2242832,CCN(C(=O)c1cc2ccccc2oc1=O)c1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID835760,O=C(NCc1ccccc1)c1cncc(Br)c1
+0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,CID3242211,O=C(c1cc2ccccc2o1)N1CCN=C1SCc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID882129,O=C(NCc1ccccn1)Nc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID4813380,CCCC(C(=O)Nc1nccs1)c1ccccc1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,CID1008083,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3)CC2)cc1Cl
+,,,,,,,0.0,,,,0.0,,,,,,CID647973,c1ccc(N2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID584908,O=S(NCc1ccccc1)C12CC3CC(CC(C3)C1)C2
+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID3236210,CCN(c1cccc(C)c1)S(=O)(=O)c1cccc2nsnc12
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1287821,Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID669478,CC(=O)Nc1ccc(C(=O)NCc2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID629758,CCOC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1C
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID3236227,CCCCOc1cccc(C(=O)NCc2ccco2)c1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID2843346,O=C1CC(c2ccccc2)CN1Cc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID2197462,C=CCSc1nc(N)c(C(=O)Nc2ccccc2C)cc1C(N)=O
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID3794582,CCCCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2225290,O=C(COc1ccccc1Br)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID595981,CCCOc1ccc(C(=O)Nc2ccccc2C(=O)O)cc1
+0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID2955880,O=C(NC(Cc1ccccc1)C(=O)N1CCN(c2ccccn2)CC1)c1ccco1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID665414,CCn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O
+,,,0.0,,,,0.0,,,,,,,,,,CID3246761,COC(=O)NCC1(C)CC(NC(=O)OC)CC(C)(C)C1
+,,,,,,,,,,,,,0.0,,,,CID5398228,O=C1Nc2ccccc2/C1=C/c1cccnc1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID838742,Cc1nnc(NC(=O)c2ccccc2F)s1
+,,,,,,,,,,0.0,0.0,,,,0.0,0.0,CID877166,Cc1ccc(OCC(=O)Nc2cccc(O)c2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID8219209,CNc1ccccc(C(=O)/C=C/c2ccccc2OC)c1=O
+0.0,,,,,0.0,,0.0,,0.0,,,0.0,,,,,CID2862126,O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID6049611,COc1cc(/C=C2\S/C(=N/c3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OC(C)C(=O)O
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID3237119,O=C(CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2512392,Cc1ccccc1-n1nc(SCC(=O)O)sc1=S
+,,,,,,,,,0.0,,,,,,,,CID4594204,Cc1ccccc1Sc1ncnc2onc(C)c12
+,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,CID657680,CC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1287804,CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID2207240,CC(C)OCCCNC(=O)CCSc1ccc(Cl)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID592205,COc1ccc(CNc2nn[nH]n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID15945183,Cc1cc(C(=O)N/N=C/C=C/c2ccccc2)c(C)o1
+,,,,,0.0,,,,,,,,,,,,CID712638,CCOc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=O)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID3163775,O=C(CCn1c(=O)oc2ccccc21)NC1=NCCS1
+,,,,,,,,,,,0.0,,,,,,CID2352949,Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)s2)cc1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID2051438,O=S(=O)(c1cccs1)N1CCCc2ccccc21
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID646380,COc1ccc(N2CCN(C(=O)Cn3nnc(-c4cccs4)n3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID776707,O=C(c1ccncc1)N1CCN(C(=O)c2ccco2)CC1
+0.0,,,,,,,,,0.0,0.0,,,,,0.0,,CID650886,COc1ccc(N2CCN(C(=O)CSc3ncnc4c3cnn4-c3ccccc3C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3133091,COc1ccc(N(CC(O)CN2C(=O)NC(C)(C)C2=O)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4405130,O=C1CCCN1CN(C(=O)c1ccccc1)c1ccccc1
+0.0,,,,0.0,0.0,,,,,,,,0.0,,0.0,,CID662710,COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1
+,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,CID3163770,COC(=O)c1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
+,,0.0,,,0.0,,,,0.0,,,0.0,,,,,CID663912,CCc1nc2ccccc2n(CCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
+,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0,CID645572,CC(C)OC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID2998418,CC(C)(C)NC(=O)NC(=O)COC(=O)Cn1c(C(F)(F)F)nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2888651,Cc1cc(OCC(=O)OC(C)C)c2c(-c3ccccc3)cc(=O)oc2c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID868243,CCOC(=O)c1sc(NC(=O)c2ccc(C)o2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID2876922,Cc1ccc(OCCNC(=O)CCc2ccccc2)cc1C
+,,,,,,,,,0.0,,,0.0,,,,,CID2853413,OC(CN1CCOCC1)C12CC3CC(CC(C3)C1)C2
+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID1245948,COC(=O)NCc1cc2cc(Cl)ccc2[nH]1
+,,,,,,,,,,,0.0,,,,,,CID730291,CCOC(=O)c1nn(-c2ccc(C)c(C)c2)cc1O
+,,,,,,,,,,,,,0.0,,,,CID4109733,CCC(CC)=NNc1cccc([N+](=O)[O-])c1
+,,,,,,,0.0,,,,0.0,,,0.0,0.0,,CID3241546,CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)N3CCOCC3)c(C)c2c1
+,,0.0,,0.0,,,,,0.0,,,,,,0.0,0.0,CID2155755,COc1ccc(-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)o2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2474608,O=C(Nc1nccs1)C1CCCN1C(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID534287,Cc1sc2nc3n(c(=O)c2c1C)CCCCC3
+,,,,,,,,,,,0.0,,,0.0,,,CID1484754,Cc1nc(N2CCOCC2)nc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID3343781,Cc1ccccc1CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O
+,,,,0.0,,,,,,,,,,,,,CID2130349,Cc1ccccc1NC1=NC(=O)CS1
+,,,,,0.0,,,,,,,,,,,,CID4961787,Cc1ccc(C)c(-n2ccnc2SCC(=O)O)c1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID877407,Cc1ccc(OCc2cc(C(=O)Nc3ccccc3)oc2C)cc1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID2128866,Cc1csc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)n1
+0.0,,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID653614,COc1ccc(NC(=O)C2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1OC
+,0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,CID656168,CCCc1cc(Nc2cccc(OCC)c2)n2ncnc2n1
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID2525383,O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID745476,Brc1ccc(-c2nnc3n2CCCCC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID2881983,CCOC(=O)c1c(CN(CCO)CCO)n(C)c2c1cc(OC(C)=O)c1c2c(-c2ccccc2)nn1-c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID879979,O=c1oc2c3c4c(cc2s1)CCCN4CCC3
+0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID644928,O=C1c2ccccc2CC1Sc1nnc(-c2ccccn2)o1
+,,,,,,,,,,,,,,0.0,,,CID2905429,CCOC(=O)C1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2434453,Cc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)c(C)o1
+,,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID663464,CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3487667,CO/N=C/c1ccc(Oc2ccc(C)cc2)nc1
+,,0.0,,,,,0.0,,,,,,,,,,CID652420,O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCCO)C4=O)cc2C(=O)N1CCCCO
+,,,,,,,,,,,,,0.0,,,,CID4173715,CC12CCC(C/C1=N\NC(=O)COc1ccccc1Cl)C2(C)C
+,,,0.0,,,,0.0,,,,,,,,,,CID653693,CC(=O)Nc1ncn(CC(COC(C)=O)OC(C)=O)c2ncnc1-2
+,0.0,,,,,,,,,,,,0.0,,,,CID766060,CC(=O)c1ccc(OC(=O)c2cccs2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID2999904,C=CCn1c(SCC(=O)Nc2cc(C)nn2-c2ccccc2)nnc1C1CCCCC1
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+,,,,,,,,0.0,,0.0,,,,,,,CID2901556,CCCNC(=O)c1ccccc1NC(=O)Nc1ccccc1C
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+,,,,,,,,,,,0.0,,,,,,CID894294,COc1ccc(S(=O)(=O)N2CCOCC2)c(Cl)c1Cl
+,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,CID2013066,Cc1cc(C)c(C#N)c(NCCCN2CCOCC2)n1
+,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,,CID655121,Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NC2CCCCC2)CC1
+,,0.0,,,0.0,,,,,,,,,,,,CID5307459,CCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,,,,,0.0,,,,,0.0,,,CID783474,CCCN(CCO)Cc1ccc2ccccc2c1
+,,,,,,,,0.0,,,,,,,,0.0,CID1765609,CCCNC(=O)c1cccc(COCC(F)(F)C(F)F)c1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID1310328,COc1ccc(-c2nc(-c3ccc(Br)cc3)no2)c(OC)c1
+0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,CID658983,c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1
+,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,CID2962035,COC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID3238361,S=c1[nH]nc(-c2ccc(Br)cc2)n1Cc1ccco1
+,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,CID2594513,CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C1CCCCC1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,CID2940569,O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID4333481,CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c1C
+,,,,,,,,0.0,,,,,,,,,CID3161781,O=C1CC(c2ccccc2)Cc2nc3nc(C(F)(F)F)nn3cc21
+,,,,,,,,,,,,,,,0.0,,CID1555849,C=CCn1c(SCC#N)nc2ccccc2c1=O
+,0.0,,,,0.0,,,,,,,,,,0.0,0.0,CID2925037,C=CCN1C(=O)C(O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID3431638,CC(=O)NCCn1c(SCc2ccc(C)cc2C)nc2ccccc2c1=O
+0.0,0.0,,,,,,,,,,,,,,,,CID3243582,CC(NC(=O)C1CCN(c2nnc(-n3cccc3)s2)CC1)C12CC3CC(CC(C3)C1)C2
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2155061,CCOC(=O)C1CCN(c2ncnc3nc[nH]c23)CC1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID3239204,COc1cccc2sc(Nc3nc(C)c(C(C)=O)s3)nc12
+,,,,,0.0,,,,,,,,,,,,CID9552036,CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCCCC1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID3245116,CC(C)c1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID4230785,O=S(=O)(NCCn1ccc2ccccc21)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2885972,CCCC(C)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1
+,,,,,,,,,,0.0,,,,,,,CID9551988,COc1cc(NC(=O)COC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID851376,CN(CC(=O)Nc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID2981094,CC(=O)Nc1ccc(OCC(O)CN2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID967740,CSc1ccc(S(=O)(=O)NCc2ccccc2)cc1
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID951632,CN(c1ccccc1C(=O)N1CCCC1)S(C)(=O)=O
+0.0,,,,,,,,,,,0.0,,,,,,CID2998205,Cc1cc(NC(=O)Cn2c(=O)c3c(ncn3CCC(C)C)n(Cc3ccccc3)c2=O)no1
+,0.0,,0.0,,,,,,,,,,,,,,CID664432,Cc1cccn2c(=O)c3cc(C(=O)NC(C)C)c(=N)n(Cc4ccncc4)c3nc12
+,,,,,,,,,,,,,0.0,,,,CID3586413,C=CCNc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(OCC)n1
+,,,,,,,,,,,0.0,,,0.0,,,CID1243303,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1Cl
+,0.0,,,,,,,,,,,,,,,,CID808448,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc2ncccc2c1
+,,,,,,,,,,,,,0.0,,,,CID4841765,CN(C(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2179260,CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)N(C)C2=S)cc1
+0.0,,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID2107628,C=CCn1c(COc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2320402,CN(C)c1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID3807765,O=C(N1CCOCC1)N(CCN1CCOCC1)Cc1cccc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID707418,Cc1ccccc1-n1c(Cc2cccs2)n[nH]c1=S
+,,0.0,,,,,,,,,,,,,,,CID659347,N#Cc1c(N)sc(=S)c2c1CCCCC2
+0.0,,,,0.0,,0.0,,,,,0.0,,,,,,CID653433,COc1ccc(OC)c(Nc2oc3cc(=O)ccc-3cc2C(N)=O)c1
+,,,,,0.0,,,,,,,,,,,,CID1354998,CC(C)(C)c1ccc(-c2nnc(NC(=O)Nc3ccccc3)s2)cc1
+0.0,,,,,,,,,,,,,,,,,CID650502,Fc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C3CCCCC3)CC2)cc1
+0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,CID655690,CCN(CC)C(=O)c1sc(NC(=O)Cc2cccs2)c(C#N)c1C
+,,,,,,,,,0.0,,,,,,,,CID652098,O=C(CSCCO)Nc1nccs1
+,0.0,,,,,0.0,,,0.0,,,,0.0,,0.0,,CID652020,CCOC(=O)CSc1nnc(CNc2ccc(F)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID1205904,O=C1NC(=S)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1
+,0.0,,,,,,,,,,,,,,,,CID4153810,COc1ccccc1NS(=O)(=O)c1cccc2cccnc12
+,,,,,0.0,,,,,,,,,,,,CID5204024,O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC1CCCc2ccccc21
+0.0,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,0.0,,CID659337,CCOC(=O)c1c(C)n(CC(O)c2ccccc2)c2ccc(O)cc12
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID645554,CCc1nnc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)s1
+,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,,,CID934799,O=c1nc(N2CCCCC2)nc2n1CCO2
+,,,,,,,,,,,,,,0.0,,,CID583513,CCCCCCC1NC(C(=O)O)CS1
+,,,,,,,,,0.0,,,,,,,,CID756524,COc1ccc(Nc2nc(CC(C)=O)ns2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID646322,O=C(NCC1CCCO1)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID648373,CCCCC(=O)NCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID4244376,COC(=O)c1cn[nH]c1NC(=S)Nc1ccc(C)cc1Cl
+,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,CID1811250,CCc1ccc(OC)c(S(=O)(=O)NCCOc2ccccc2)c1
+,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID653462,CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)Cc1ccc(OC)c(OC)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID3660797,CN1OC(COC(=O)c2ccccc2)CC1c1ccccc1
+0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,CID3240126,COc1ccc(OC)c(CN2C(=O)CCC2(C)C(=O)NC2CCCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1737771,COc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)cc1OS(=O)(=O)c1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2981436,Cc1ccnc(SCC(=O)n2c3c(c4ccccc42)CC(C)CC3)n1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID2137806,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)c(C)c3)CC2)c(C)c1
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID768568,COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c2ccccc12
+,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID805229,Cn1nnnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,0.0,,,0.0,,CID994221,COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID703457,O=C(O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID3239135,Cc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1447683,COc1cccc(-c2csc(N3CCN(C(=S)Nc4ccccc4)CC3)n2)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID3244550,COc1cccc(CNC(=O)Nc2cccs2)c1
+,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID660025,Cc1cc(=O)oc(C)c1C(=O)n1nc(C)c2c1CC1C2C1(C)C
+,,,,,,,,,,,,,0.0,,,,CID3118199,CC[n+]1c(S(=O)(=O)[O-])ccc2ccc(C)cc21
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID3360990,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccc(O)c1)N(c1ccccn1)C3=O
+,,,,,,,,,,0.0,,,,,,,CID1262699,O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID707871,CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID575481,C/C(=N\NC(=O)C1CC1(c1ccccc1)c1ccccc1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5025384,Cc1ccc(-c2csc(=S)n2CC(=O)OCC(=O)NC(C)C(C)C)cc1
+0.0,,,,,,,,,,,,,0.0,,0.0,0.0,CID891780,COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,CID651395,O=C(NCc1ccccc1)C1CCCN(C(=O)Nc2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2117508,Cc1ccc(C)n1-c1ccccc1N1CCCCC1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID666952,CC(C)C(=O)Nc1ccc2c(c1)nc1n2CCSC1
+,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,CID651980,CC(NCCCn1ccnc1)=C1C(=O)c2ccccc2C1=O
+,,,,,,0.0,,,,,,,,,,,CID2940056,CCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
+,,,0.0,,,0.0,,,,,,,,,,,CID2159334,COc1ccc(OC)c2sc(NC(=O)C3=COCCO3)nc12
+,,,,,0.0,,,,,,,,,,,,CID1187821,C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccccn1
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID3240105,COCCNC(=O)c1cc(-c2cccc(OC)c2)on1
+,,,,,,,,,,,,,,0.0,,,CID1474208,Cc1cc2c(ncn2C)c(NS(=O)(=O)c2ccccc2Cl)c1C
+,,,,,,,,,,,,,0.0,,,,CID823944,c1ccc2c(c1)nc(N1CCOCC1)c1ccccc12
+,,,0.0,,,,,,,,,,,,,,CID3761008,CN1CCN(CC(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)CC1
+0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,CID1379092,CCOc1cc(CN2CCN(c3ccc(C(C)=O)cc3)CC2)ccc1OC
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID3244152,O=C(NCCCN1CCCCCC1)C1CC(=O)N(C2CCCC2)C1
+,,,,,,,,,,,,,0.0,,,,CID2948912,Cc1cccc(C)c1OCc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID2091725,CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nnc1-c1cccc(C)c1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID867248,Brc1ccc(OCCn2ccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2082741,N#Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5410869,O=C(NN/C=C1/C=CC=N1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID9552007,N/C(Cc1cccs1)=N\OC(=O)COc1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID836757,Cc1nc2cc(S(N)(=O)=O)ccc2n1-c1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1097667,O=C(N/N=C/C(Br)=C/c1ccccc1)c1n[nH]c2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID4968846,CCC1(c2ccccc2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
+,,,,,,,,,,,,,,,,0.0,CID646801,O=C1C2C(C(=O)N1c1ccncc1)C1C=CC2C12CC2
+,,0.0,,,0.0,0.0,,,,,0.0,,,,,,CID3238279,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(C(C)C)cc1
+,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,,CID3238487,COc1cc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)cc(OC)c1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID3235699,CCc1nn(CC(=O)NCCN2CCN(C)CC2)c(=O)c2cc3occc3n12
+,,,,,,,,,,,,,,0.0,,0.0,CID741325,COc1ccc(CSc2n[nH]c(C)n2)cc1Br
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2950402,COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)CC1
+,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,CID664836,CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID796703,Cc1nn(-c2ccccc2)c(C)c1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID5347896,Cc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2767650,Cc1cc(C)c(C#N)c(SC(F)F)n1
+,,,,0.0,,,,,,,,,,,,0.0,CID665405,CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID652027,COCCNc1nc(C(C)(C)C)nc2c1nnn2Cc1ccccc1Cl
+,,,,,,0.0,0.0,,,,,,,,,,CID5307803,Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCc5ccccc5C4)c3c2c1
+,,,,,0.0,,,,,,,,,,,,CID1567079,Cc1c(N2C(=O)S/C(=C\c3ccc(N(C)C)cc3)C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID2221791,Cc1cc(Cl)c(S(=O)(=O)NC2CCCCC2)cc1OCC(=O)Nc1nncs1
+,,,,,0.0,,,,,,,,,,,,CID3218171,CC(C)CNC(=S)NC1CC2CCCC(C1)N2Cc1cccs1
+,,,,,,,,,,0.0,,,,,,,CID1248279,COc1ccccc1Nc1nc(N)nc(-c2oc3ccccc3c2C)n1
+,,0.0,,,,,,,,,,0.0,,0.0,,,CID2200528,COCCNc1oc(COc2cccc(C)c2)nc1C#N
+,,,,,,,,,,,,,,0.0,,,CID4983363,CC1CCN(S(=O)(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID833513,Cc1ccn(C(=O)c2ccc(NC(=O)CC(C)C)cc2)n1
+,,,,,,,,0.0,,0.0,,,,,,,CID66734,O=C(Oc1ccc2ccccc2c1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1362704,COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID694619,COc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1
+,,,0.0,,,,,,0.0,0.0,0.0,,,,,,CID2998792,c1cc2c(cc1C1CCCN1)OCCCO2
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+,,,,,,,0.0,,,,,,0.0,,,,CID744061,CCOC(=O)c1c(C)nc2c(C#N)cnn2c1C
+,0.0,,,,,,,,,,,,,,,0.0,CID2146825,CCOC(=O)CC(=O)CSc1nc2nc(C)cc(C)n2n1
+,,,,,,0.0,,,,,,,,,0.0,,CID889213,O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1ccccc1Cl
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1430433,CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3OC)cc2c1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID3237753,COc1cc(C(=O)NCc2nnc(SCC(=O)N3CCC(C)CC3)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2131557,CC(=O)Sc1nc(-c2ccccc2)[nH]c1S(=O)(=O)c1ccc(C)cc1
+,0.0,,,0.0,,,,,0.0,,,0.0,,,,,CID2997819,O=C(NCCCn1ccnc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
+,,,,,,,,,,,,,,0.0,,,CID16193577,Cc1ccc(Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID893090,COc1ccccc1-n1c(Cc2cccs2)n[nH]c1=S
+,,0.0,,,,0.0,,,,,,,,,,,CID645207,CCN(c1c(C)n(C)n(-c2ccccc2)c1=O)S(C)(=O)=O
+,,,0.0,,,,,,,,,,,,,,CID658329,CC1(C)CC(=O)C=C(NCc2ccncc2)C1
+0.0,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,CID3238785,Cc1cc(=O)nc(SCC(=O)Nc2nc3c(s2)CCCC3)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2274189,CN1C(=O)/C(=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)c2ccccc21
+0.0,,,,,0.0,,,,,,,,,,0.0,0.0,CID3243306,O=C1C2CCCN2C(c2cccc(Cl)c2)N1c1ccccn1
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID3244419,Cc1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
+,0.0,,,,,,0.0,,,,,,,,,,CID2998419,Cn1c(=O)c2c(-c3ccncc3)c3c(nc2n(C)c1=O)-c1ccccc1C3=O
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID939399,Cc1nnc(NC(=O)CCC(=O)NCc2cccs2)s1
+,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,CID650003,CC(C)c1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1
+,,,,,,,,,,,0.0,,,0.0,,,CID1767752,CC(/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12)=C\c1ccco1
+0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID2999618,Cc1nn(-c2ccccn2)c(C)c1Oc1ccccc1O
+,,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID2160221,CC(C)(C)n1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CS(=O)C2
+,,,,,0.0,,,,,,,,,,,,CID4552534,CN(C)c1ncnc2c1N=C1CC(C)(C)CC(NCCCC(=O)O)=C1S2
+,,,,,,0.0,,,,,,,,,,0.0,CID2939758,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccccc1OC
+,,,,,,,,,,,,,0.0,,,,CID1486735,CCOC(=O)c1cnn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F
+,,,,,,,,0.0,,,,,,,0.0,,CID2159405,COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1C
+,,,,,0.0,,,,,,,,,,,,CID2540388,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(Cc1ccco1)Cc1cccs1
+,,,,,,,,,,0.0,0.0,,,,,,CID2216201,CCc1cccc(OCCCN2C(=O)NC(C)(C)C2=O)c1
+,,,0.0,,0.0,,,,,,,,,,,,CID658039,CC1(C)C(c2cccs2)=NC(c2ccccc2)N1O
+,0.0,,,,,,,,,,,,,,0.0,,CID790875,O=C(c1cc(Cl)cc(Cl)c1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID3346356,COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1cccc(Cl)c1
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID658775,Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccco2)n1
+,0.0,0.0,,0.0,,,,,0.0,,,,,,,,CID2088468,Cc1ccc(/N=C2\SCCCN2C(=O)c2ccco2)cc1Cl
+,,,0.0,0.0,,,,,,,,,,,,,CID3239646,CCOC(=O)C1=C(N)OC(C)=C(C(=O)OCCOC)C12C(=O)Nc1ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2105072,COc1cc(C(=O)OCc2ccc(C)cc2)cc(NC(=O)c2cccs2)c1OC
+,,,,,,,,,0.0,,,,,,,,CID9551426,CC(=O)Nc1ccccc1-c1nc2ccc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)cc2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID3976202,CN(C)S(=O)(=O)c1cccc(NC(=S)N2CCCCC2CO)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID3242173,COc1ccc(CN2CC(C(=O)NCCCN3CCN(Cc4ccccc4)CC3)CC2=O)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID2964268,CCC1(CC)Cc2ccccc2C(N)=C1C#N
+,,,,,,0.0,,,,,,,,,,,CID6007984,Cc1nccc2[nH]c(=O)c(C(=O)NC3CCN(Cc4ccccc4)CC3)cc12
+0.0,,,,,,0.0,,,,,,,,0.0,,0.0,CID2998071,CC(C)C1OC(NC(=O)Nc2ccc(Cl)c(Cl)c2)=NC1=O
+,,,,,0.0,,,,,,,,,,,,CID701990,CC(=O)COc1ccc2c(oc(=O)c3ccccc32)c1C
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID655776,C=CCn1c(NCc2ccccc2)nc2ccccc21
+0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,CID656380,Cc1sc2nc(CN(C(=O)c3cccs3)C3CCCC3)[nH]c(=O)c2c1C
+,,,,,0.0,,,,,,0.0,,,,,,CID3244790,CCC(C)NC(=O)c1cnn2c(C)c3c(nc12)CCCC3
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID648777,Cc1c(C(=O)Nc2ccncc2)oc2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID659864,COc1ccc2c(c1)n([O-])c(C)c(C(C)=O)[n+]2=O
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID3238085,CCN(CC)CCNC(=O)Cc1c(C(=O)O)n(C)c2ccccc12
+,0.0,0.0,,,,,,,,,0.0,0.0,,,,,CID5054112,CC(=O)N1CCN=C1SCc1ccccc1Cl
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,CID2940112,CCC(Sc1nnnn1-c1ccccc1)C(=O)NC(C)c1ccccc1
+,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,CID652148,Cc1cccnc1NC(=O)c1ccc2nc(N)sc2c1
+,,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID657923,Cc1cc(=O)[nH]c(SCC(N)=O)c1C#N
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3245890,O=C(CC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2
+,,,,,,,,,,,,,,,,0.0,CID2079299,CCCCNC(=O)NCC(=O)Nc1ccc(F)c(F)c1
+,,,0.0,,,,,,,,,0.0,,0.0,,,CID645762,COC(=O)c1cccc(NC(=O)Cn2nnc3ccccc32)c1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID1946922,Cc1ccc(CN2C(=O)/C(=C3\SC(N4CCOCC4)=NC3=O)c3cc(Br)ccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2451949,COc1ccc(C(=S)N2CCC(C(N)=O)CC2)cc1Br
+,,,,,,,,,,,,,0.0,,,,CID2434720,CC(=O)Nc1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3229912,Cc1cccc(-c2cc3nc(C)cc(NCCCn4ccnc4)n3n2)c1
+,,,,,0.0,,,,,,,,,,,,CID2850825,O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID16192454,CC(C)c1csc(CN2CCC(CO)(Cc3ccccc3)CC2)n1
+,,,0.0,,,,,,,,,,,,,,CID5310173,Cc1nc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cs1
+,,,,,,,,,,,,,0.0,,,,CID1484897,Cc1nc2c(Cl)cccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID4103165,CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccccc1Cl
+,,,,0.0,,,0.0,,0.0,0.0,,,,,,,CID2121746,O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1ccc2c(c1)OCO2
+,,,0.0,,,,,,,0.0,,,,,,,CID3000165,O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12
+,,,0.0,,,,,,,,,,,,0.0,,CID647198,Cc1ccc(S(=O)(=O)CCC(=O)c2ccc(O)cc2O)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID5309556,CCOC(=O)c1[nH]c(C)c(C(=O)NC(C)CC)c1C
+,,,,,,,,,,,,,0.0,,,,CID2286360,Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc(C)n(-c4cccc(C(=O)O)c4)c3C)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2830313,O=C(NCc1ccccc1)/C(NC(=O)c1ccccc1)=C(/Sc1ccccn1)c1ccccc1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID651107,Cc1nc2ccccn2c1C(=O)NCc1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID2305708,O=C(NCc1ccco1)c1cc(=O)c2ccccc2o1
+0.0,,,,,,0.0,,0.0,0.0,,,,,,,,CID659583,O=C(NCc1nnc2n1CCCCC2)c1ccc(Cl)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2452146,CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2ccccn12
+,,,,,,,,0.0,,,,,,,,,CID2203181,O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID2375130,C=CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O
+,,,,,,0.0,,,,,0.0,0.0,,,,0.0,CID2949895,CCOc1ccc(N2CC(C(=O)Nc3cccc(C)c3C)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1632275,Cc1cc(NC(=O)CCCN2C(=O)/C(=C\c3cccs3)SC2=S)no1
+,0.0,,,,,,0.0,,,,,,,,,,CID3751734,O=C(Nc1nc2ccccc2[nH]1)C1CCCO1
+0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID877519,CCc1cc2c(N3CCN(c4ccccc4)CC3)ncnc2s1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID647844,O=C(c1ccc(N2CCOCC2)nc1)N1CCOCC1
+,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID658342,C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID6621910,CCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C1=O
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID1253427,O=C(NCc1cccs1)c1cnn2cccnc12
+,,,,,0.0,,,,,,,,,,,,CID1144666,CCOc1ccccc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1
+,,,,,,,,,,,,,,0.0,,,CID2891529,O=C(O)c1cccc(N2C(=O)C3C4C=CC(C4=C(c4ccccc4)c4ccccc4)C3C2=O)c1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID647023,CCCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID2999740,CCCn1c(N)c(C(=O)CSc2nc3ccccc3n2CCC#N)c(=O)n(C)c1=O
+0.0,,,,,0.0,,,,,,,,,,,,CID5307249,O=C(NCc1ccco1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3241708,CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1S(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID4650306,CC1=C(C(=O)N2CCOCC2)C(c2ccc(O)cc2)NC(=S)N1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID2868527,CCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2838945,O=C1CCN(C(=O)c2ccccc2)C2CCCCC12
+,,,,,,,,,,,,,,0.0,,,CID3757113,Cc1ccc(N2CC(C(=O)N/N=C/c3sccc3C)CC2=O)cc1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID2999882,COCCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccccc1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,,CID4544775,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)s1
+,,,,,0.0,,,,,,,,,,,,CID3453632,Cc1cc(C)c(NC(=O)C(C)SCC(=O)Nc2ccc3ccccc3c2)c(C)c1
+,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID1305519,COC(=O)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)N(C)C2
+,,,,,,,,,,,,,0.0,,,,CID1486560,Cc1[nH]n(-c2ccccc2)c(=O)c1-c1cccc(Cl)c1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2113703,Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1C
+,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,CID877545,O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1
+,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,0.0,,CID2955434,CN(C)c1ccc(NC(=O)CC2NCCNC2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID2945839,COC(=O)c1ccc(NC(=O)CSc2nnc(C(C)NC(=O)c3ccccc3Cl)n2C)cc1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID2435198,Cc1cnc(C(=O)OCC(=O)NC2CCCCC2)cn1
+,,,,,,,,,,,,,0.0,,,,CID2767692,CCOC(=O)CN1C(=O)CCSc2ccc(Cl)cc21
+,,,,,,,,,,,,,0.0,,,,CID608203,Cc1cc(Nc2ccccc2)nc(N)n1
+,,,,,,,,,,,,0.0,,,,0.0,CID644813,CCOC(=O)N1CCN(c2cc(C)c(C(C)=O)cc2F)CC1
+,,,,,,,,,,0.0,,,,,,,CID4884012,COc1ccc(CN2c3cc(S(=O)(=O)N4CCOCC4)ccc3N3CCCC32)cc1
+0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID1253160,COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1Cl
+,,,,,,,,,,,,,,,0.0,,CID5310092,COc1ccc(OC)c(S(=O)(=O)NCCc2cn3ccsc3n2)c1
+,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID2195556,c1ccc(SCc2nc(-c3ccccn3)no2)cc1
+0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID562160,Nc1c(C(=O)NCc2ccccc2)nnn1Cc1ccccc1
+,,,,,0.0,,,,,,,0.0,,,,,CID651433,CC(C)c1ccc(-c2nnn(CCC(=O)O)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1399031,CCOC(=O)Cc1nnc(NC(=O)COc2ccc(F)cc2)s1
+,,,,,0.0,,,,,,,,,,,,CID1922043,CCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)o1
+,,,,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,CID3237027,COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID39147,CC(C)(C)NCC(O)COc1cccc2c1CC(O)C(O)C2
+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID5307490,O=C(c1cnn2ccccc12)N1CCCc2ccccc21
+0.0,,,,,,,0.0,,,,,0.0,,,0.0,,CID646039,COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1
+,,,,,,0.0,,,,,,,,,,0.0,CID2999617,Cc1cc(NC(=O)c2cncc(Br)c2)n(-c2ccccn2)n1
+0.0,,,0.0,,,,,0.0,,,,,,,,0.0,CID3239277,O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(c2ccccn2)CC1
+0.0,,,,,,,,,,,0.0,,0.0,,,,CID3237677,Cn1cccc1Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1-c1ccc(F)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID4569957,COC(=O)c1cc(-c2ccc(Br)cc2)on1
+,,0.0,,,,,,,,,,,,,,,CID652446,O=C(CC1(O)C(=O)Nc2ccccc21)c1cccnc1
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID4621903,Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)n(C)c3nc12
+,,,,,,,,,,,,,,0.0,,,CID2126213,CCOc1ccc(NC(=O)COC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,0.0,,,,,0.0,0.0,,0.0,,,CID651410,CCSc1nnc(-c2ccc(OC)cc2)o1
+,,,,,,,,,0.0,,,,,,,,CID1772736,CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C)c2C#N)c(C#N)c1C
+0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,0.0,CID3240683,CCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2957814,CCN(CC)S(=O)(=O)c1ccc(NC(=O)C(C)N(c2ccc(OC)cc2)S(C)(=O)=O)cc1
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID752291,Cc1cc2nc(SCC(=O)O)nc(C)c2cc1C
+,,,,,,0.0,,,,,,,,,,,CID3242523,CCN1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3s2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1271400,O=C1NC(=S)NC(=O)C1=Cc1ccccc1OCc1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID1075983,COc1ccccc1NC(=S)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1227055,CCSc1c(-c2ccccc2)nc2c(C)cccc2c1C(=O)O
+0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID717017,COc1ccccc1OCc1ccc(C(=O)NCCN(C)C)o1
+,,,,,,,,,,,0.0,,,,,,CID1811214,Cc1ccc(C(C)C)c(OCCNC(=O)c2cncc(Br)c2)c1
+,,,,,,,,,,,,,0.0,,,,CID2452325,CSCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1
+,,0.0,,0.0,,,,,,0.0,0.0,,,,,,CID662687,Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1
+,,,,,,,,0.0,0.0,,,,,,,,CID2105535,COc1ccc(C(=O)NCCCN2CCCC2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1957149,Brc1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)s1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID5309738,CN(Cc1ccccc1)C(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
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+,,0.0,,,,,0.0,,,,0.0,,,,,,CID645154,c1ccc(CNc2c3c(nc4ncnn24)CCCC3)nc1
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+,,,,,,,,,0.0,,,,,,,,CID2086178,Cc1nnc(SCC(=O)NCC2CCCCC2)n(N)c1=O
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+0.0,,,,,,,,,,,,0.0,,,,,CID649219,CCOC(=O)C1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1
+,,,,,,,,,,,,0.0,,,,,CID5309239,O=C(Cn1cc2c(n1)CCCC2)NCCc1ccccc1
+,,,,,,,,,,,0.0,0.0,,0.0,,,CID260286,Cc1ccc(OCC(O)CN2CCN(c3ccccc3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID653206,Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
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+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID3447813,CC(=O)Nc1nc(CC(=O)c2ccccc2)cs1
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+,0.0,0.0,,,,0.0,,,,,,,,,,,CID1289244,COc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)N(C)C)cc1OC
+,0.0,,,,,0.0,,,,,,,,,,,CID653835,COCCn1c(NCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
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+,,,,,,,,,,,,,0.0,,,,CID612552,NC(=O)CSc1nc2ccccc2nc1SCC(N)=O
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+0.0,,,,,,0.0,0.0,,,,,,,,,,CID3242440,Cc1ccc(Cn2c(=O)c3c(nc4n3CCN4Cc3ccco3)n(C)c2=O)cc1
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+,0.0,,,,,,,,,0.0,,0.0,,,,,CID658705,COc1ccccc1N1CCN(CC(=O)c2c(C)n(C)c3ccccc23)CC1
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+,,,,,,,,,,,,,0.0,,,,CID3186756,CCOc1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c(OCC)cc1NC(=O)c1cccs1
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+,0.0,0.0,,0.0,,,,,,,,,,,,,CID4639110,CC(=O)N1CCN=C1SCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2450838,O=C(c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1015022,O=C(O)c1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID1136397,COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1
+,,,,,,,,0.0,,,,,,,,,CID645456,COc1ccccc1OCCCn1c(=O)sc2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID5307726,Cc1nc(C)c(C(=O)Nc2cccc(C)c2C)o1
+,,,,,,,,,,,0.0,,0.0,,,,CID2908710,CCNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2958418,CCNC(=S)N1CCCCC1CO
+,,,,,,,,,,,,,0.0,0.0,,,CID2872676,CCC(Sc1nc2ccccc2o1)C(=O)O
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+,,,,0.0,,,,,,,0.0,,,,,,CID2958467,CC(C)C(NC(=O)c1cccs1)c1nnc(SCC(=O)Nc2nccs2)n1C
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+,0.0,0.0,,,,0.0,,,0.0,,,,,,,,CID2608348,Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1
+,,,,,,,,,0.0,,,,,,,,CID1453619,O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc(-c3ccncc3)no2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2239071,C=CCn1c(SCC(=O)N2CCCC2)nc2scc(-c3cccs3)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID16191802,OCCC1CN(Cc2cnn(-c3ccc(F)cc3)c2)CCN1Cc1ccsc1
+,,,,,,,,,,0.0,,,,,,,CID851959,O=C(O)CCC(=O)Nc1ccccc1C(=O)NCc1ccco1
+,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID3237676,N#CC1=C(N)N(c2ccccc2)C2=C(C(=O)CCC2)C1c1ccsc1
+,,,,,,,,,0.0,,0.0,,,,0.0,,CID653779,CCOC(=O)c1cnc(SCC(=O)NCc2ccco2)nc1N
+0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,CID3240914,CC(NC(=O)c1cc(-c2cccs2)on1)c1ccccc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID749168,CC(C)c1nc(N2CCCC2)c(C#N)c2c1CCCC2
+,,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,CID3235656,CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NCc3ccc(C)cc3)C(C)C)ccc21
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID656021,COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1
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+0.0,,0.0,,,0.0,,,,,,,,,,,0.0,CID660296,CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1CCCCC1
+,,,,,,,,,,0.0,,,0.0,,,,CID769951,Cc1ccc(OCc2n[nH]c(=S)n2C2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2870135,CCC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccccc4)c(=O)c23)CO1
+,,,,,,,0.0,0.0,,,,,,,,,CID3243372,O=C(c1cc2ccccc2c(=O)o1)N1CCc2ccccc2C1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID667108,COc1ccc(-c2oc3ncnc(NCCCN4CCOCC4)c3c2-c2ccc(OC)cc2)cc1
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+,,0.0,,,,,,,0.0,,,,,,,,CID5389364,COc1ccc(OC)c(C2/C(=C(\O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID973018,Cc1cccc(Nc2nc(-c3cccs3)cs2)n1
+,,0.0,,1.0,0.0,,,,,0.0,,,,,,,CID5309602,COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(C)c3)oc1C)C(=O)C1CCCN21
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0,CID2167035,COC(=O)c1sccc1NC(=O)c1ccc(Br)o1
+,0.0,,,,,,,,,,,,,,,,CID3709691,CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC(C)C
+,,,,,,,,,,,,,,,,0.0,CID5771272,CC1=C(C(=O)OC2CCCCC2)C(c2cccnc2)N2NN=NC2=N1
+,,,,,,0.0,,,,,,0.0,0.0,0.0,,,CID745851,COC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,,0.0,CID1310031,Cc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3243920,CCOCCCNC(=O)c1c(C)c(C(=O)OCC)n(C)c1C
+0.0,,,,,,,,,,,,,,,0.0,,CID4903991,CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID2429889,O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1Cl
+,,,,,,,,,,0.0,,,,,,,CID2243126,C=CCn1c(=O)n2ncnc2c2c3c(sc21)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID3089939,Cc1cccc(C)c1NC(=O)C(NC=O)c1ccccc1Cl
+,,,0.0,,,,,,,,,0.0,,,,,CID964722,CNCc1ccc(OCc2ccccc2)c(OC)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID661677,COC(=O)C1CCCN1C(=O)Nc1cccc(Oc2c(F)c(F)c(F)c(F)c2F)c1
+,,,,0.0,,,,,,,,,,,,,CID660190,CCOC(=O)C1=C(CSc2nc(C)ccc2C#N)OC(N)=C(C#N)C1c1cccc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID6625198,O=C(c1cc(C2CC2)on1)N1CCN(c2ccccc2)CC1
+,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,CID709816,COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5307841,Cn1cccc1Cc1nnc(SCC(=O)NCCc2ccccc2)n1-c1ccc(F)cc1
+0.0,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,,CID2959860,CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)NC1CCCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1875051,CCN(CC)CCNC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OC)cc12
+0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,,,CID888120,Cc1cccc(-c2noc(-c3ccc(F)cc3)n2)c1
+,,,,,,,,,,,,,,0.0,,,CID6824094,CC1=C(C#N)C(=O)N(CCO)C(=O)/C1=N/Nc1ccc(S(N)(=O)=O)cc1
+,,,,0.0,,,,,,,,,,,,1.0,CID2324329,O=S(=O)(CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)C(F)(F)F
+,,,,,0.0,,,,,,,,,0.0,,,CID879486,CCC(=O)Nc1nnc(CSCc2ccc(F)cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID3613580,CNc1nc(-c2ccccc2)nc(-c2ccc(OC)cc2)c1C#N
+0.0,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,CID1521397,O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nc3ccccc3o2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4103077,CC(=O)N1CCC(=NNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3806639,Cc1cccc(C(CC(=O)O)n2cccc2)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID3241340,O=C(O)C1CCCCC1C(=O)N1CC=C(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2337752,O=C(ONC1=NCCCCC1)c1cccc([N+](=O)[O-])c1
+,0.0,,,,,,,,,,,,,,,,CID3238495,CCOC(=O)c1cn(CC(=O)Nc2ccc(C(C)C)cc2)nn1
+,,,,,,,,,,,,,0.0,,,,CID3213232,COCC/N=C1\Sc2nc3ccc(C)cc3cc2CN1Cc1cccs1
+,0.0,,,,,0.0,,,,,,,,,,,CID5742505,O=C1C=Cc2ccccc2/C1=C/NCc1cn2ccsc2n1
+0.0,,,,,0.0,,,0.0,,0.0,,,,,,,CID3242387,COc1ccc(N(C)C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)c(OC)c1
+0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,CID651115,O=C(NC1CCCC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID2275799,O=C(O)c1ccccc1C(=O)OCCCCOC(=O)c1ccccc1C(=O)O
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID3699796,COCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,,,,,,,,CID3152857,O=C(Cc1ccccc1)NC1CCS(=O)(=O)C1
+,,,,,,,,,0.0,0.0,,,,,,,CID646243,Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)C(=O)c1cnccn1)c1nnnn12
+,,,,,0.0,,,,,,,,,,,,CID2127609,CCc1nnc(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)s1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,,,CID2967430,CC(=O)Nc1cc2c(cc1C(=O)C(C)C)OCCO2
+,,,0.0,,,,,,,,,,,,,0.0,CID877440,Cc1cc(N(C)C)cc(C)[n+]1[O-]
+,,,,,,,,,,,0.0,,,,,,CID1448811,c1ccc(-n2nnnc2NC2CCCCCC2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID871145,COc1ccc(C(=O)NC(=S)N2CCCCC2)cc1
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID1288839,O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1
+,,,,0.0,,0.0,0.0,,,0.0,,,,,,,CID7172,CNCC(O)c1ccc(O)cc1
+,,,,,,,,,0.0,,,,,,,,CID2862751,CCCC1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1
+,0.0,,,,,,,,,,,0.0,,,,,CID2970745,CS(=O)(=O)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID272110,Cc1nnc2c3ccccc3c(-c3ccccc3)nn12
+,,0.0,,,0.0,,,,,,,0.0,,,0.0,0.0,CID757277,COc1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1
+0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,CID2302351,COc1ccc(-c2cc(C(=O)NCCN3CCOCC3)c3ccccc3n2)cc1
+,0.0,,,,,,,,,,,,,,,,CID646425,Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)s1
+,,,0.0,0.0,,,,,,,,,,,,,CID2961962,CN1C(=O)C2(C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c2ccccc21
+0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID647325,CCn1c(CSc2ncccn2)nnc1SCC(=O)N1CCc2ccccc21
+,,,,0.0,,0.0,,,,,,,,,,,CID2974683,COc1ccc(S(=O)(=O)N(C)C2CCS(=O)(=O)C2)cc1OC
+,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,CID3238447,CCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
+0.0,,0.0,,,,,,,,,,,,,,,CID2997699,O=C(c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)N1CCN(c2ccccn2)CC1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID3237311,CC(=O)Nc1c(OC(C)=O)ccc2c(C)cc(=O)oc12
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID2917288,CCCOCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID6620126,COC(=O)c1ccc(CSc2ccc3nnc(-c4ccccc4)n3n2)o1
+,,,,,,,,,,,,,,0.0,,,CID1187949,CCOC(=O)N1CCN(Cc2c(NC(=O)c3ccco3)sc(C)c2C)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID652333,CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)c1ccc(CN2CCOCC2)o1
+,,,,,,,0.0,,,,,,,0.0,,,CID4654595,CC(NC(=O)c1cccnc1)C(c1cccs1)N1CCN(C)CC1
+,,,,,,,,,,,0.0,,,,,,CID2184847,CC(C)(C)c1ccccc1OCCOCCSc1ncccn1
+,,,,,,,,,,,,0.0,,,,,CID5389046,CCOC(=O)C1=C(C)N/C(=C\Nc2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID4194680,Cc1ccc(NC(=O)c2sccc2C)cc1S(=O)(=O)N(C)C
+0.0,,0.0,,,,,,,,,0.0,,0.0,,,0.0,CID5308070,O=C1C2CCCN2C(c2ccc(F)cc2)N1c1cccc(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID9551779,COc1ccc(S(=O)(=O)NC(Cc2ccc(Cl)cc2)C(=O)N2CCC3(O)CCCCC3C2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2333297,CC(C)C(=O)Nc1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,,,0.0,,,,,,,CID3218522,CCNC(=S)N1CCC(NC(=O)C2CCCCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3677285,CCn1c(SCC(=O)N2CCCCC2C)nc2ccsc2c1=O
+,0.0,,,0.0,,,,,,,,,,,,,CID2517680,Cc1ccc(C(N)=S)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID2915429,O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCC(N2C(=O)C3C4C=CC(C4)C3C2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID1480148,CCN(CC)CC(=O)NCc1cc(-c2ccc(OC)cc2)no1
+,,,,,,,,0.0,,,,,,0.0,,,CID2090114,O=C1CS/C(=C\S(=O)(=O)c2ccc(Cl)cc2)N1
+,,,,0.0,,,,,,,,,,,,,CID1249303,Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(-c3cccs3)no2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID3241944,CCOC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O
+,,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID2211776,C=CCNC(=O)Nc1ccc(OCC)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID3243046,O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
+,,,,,,,,,,,0.0,,,,,,CID797034,Cc1ccc(NCc2nc3ccccc3n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID6467955,CC(C)c1ccc(NC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID648608,Cc1occc1-c1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1
+,,,,,,,,,0.0,,,,,0.0,,,CID951354,O=C(/C=C/c1ccco1)NC(=S)Nc1ccccn1
+,,,,,,,,,0.0,0.0,,,,,,,CID1071270,Cc1c(N2C(=O)c3cccc4cccc(c34)C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,0.0,,,,,,,,,,CID666850,COC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)[nH]n2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1094865,O=C(NCCc1ccncc1)Nc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1581709,O=C(CNC(=S)NC(=O)c1ccccc1Br)c1ccccc1
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID3238533,Cc1[nH]c2ccc(-c3nnc(SCC(=O)NCc4ccco4)n3Cc3ccccc3)cc2c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1484584,O=[N+]([O-])c1ccc(OCc2cnc(Cl)s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID934705,COc1cc(S(=O)(=O)Nc2ccncc2)ccc1F
+,,,,,,,0.0,,,,,,,,,,CID2984704,CCN1C(=O)CC(N2CCC(C(=O)N3CCOCC3)CC2)C1=O
+0.0,,,,,,,,,,,,0.0,,,,,CID5308511,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCc2ccccc21
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID654706,Nc1nnc(CCN2C(=O)CSC2=O)s1
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+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,CID845766,Cc1cc(-c2cccs2)c2c(n1)sc1c(=O)[nH]c(=O)[nH]c12
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+,,,,0.0,,,0.0,,,,,0.0,,,,,CID1567001,CCCCOC(=O)Nc1nc2ccc(OC)cc2s1
+,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,CID1519524,COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccccc1N
+,,0.0,,,,,,,,,,,,,,,CID656362,O=C(O)C1CCCN1c1ncccn1
+,,,,,,,,,,,,,,0.0,,,CID2951154,O=C(O)C1CCC(N2C(=O)C3C4CCC(C4)C3C2=O)CC1
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+,0.0,,,,,,,,0.0,,,,,0.0,,,CID874260,O=C(COc1ccccc1)Nc1nn[nH]n1
+,,,,,,,,,,,,,,0.0,,,CID1893706,Cc1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)c1
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+0.0,,,,,,,,,0.0,,0.0,,,,,0.0,CID1301660,Cn1nc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccccc3)c2)c2ccccc2c1=O
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+,,,,,,,,,,,,,,0.0,,,CID2387118,CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1
+,,,,,,0.0,0.0,,,,,,,,,,CID2999078,CC1C(C#N)=C(N)OC2=C1C(=O)CCC2
+,,,,,,,,,,,,,0.0,,,,CID2323759,CCOC(=O)/C(C#N)=C/C=C1\C=Cc2ccccc2N1CC
+,0.0,0.0,,,,,0.0,0.0,,,,,,,,,CID2210229,CCCCC(=O)Nc1ccc(C(=O)NCc2ccncc2)cc1
+,,,,0.0,,,,,,,,,,,,,CID1713354,OCCSc1c(F)c(SCCO)c(SCCO)c(F)c1SCCO
+,,,,,,,,,,0.0,0.0,,,,,,CID2967534,Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1C
+,,,,,0.0,,,,,,,,,,,,CID1549633,O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2424786,COc1ccccc1C(=O)CSc1nnc(-c2ccco2)o1
+,,,,,,,0.0,,,,,,,,,0.0,CID566801,CN1C(=O)N(CN2CCCCC2)C2C1N(C)C(=O)N2CN1CCCCC1
+0.0,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,CID659705,COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2549966,CCC(CC)NC(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID2766733,O=C(O)c1sccc1OCc1ccccc1
+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID659487,COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(-c2ccccc2)c(SC)nc1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID5136036,O=C1CC(c2ccc(S(=O)(=O)NC3CC3)cc2)CN1
+,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,CID662867,CN(C)c1ccc(CN(C(=O)C2COc3ccccc3O2)C2CCS(=O)(=O)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4034051,O=C(CCCSc1nc2ccccc2[nH]1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID944184,COc1ccccc1NC(=S)NCCc1ccc(Cl)cc1
+,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,CID789066,CCn1c(SCC(=O)O)nnc1-c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID706243,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID3406134,Cc1ccc(C(c2sc3ncnn3c2O)N2CCC(C)CC2)cc1
+0.0,,,0.0,,,,0.0,,0.0,,,,,,,,CID664711,COc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID3309683,Cc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)s1
+,,,,,,,,0.0,,,,,,,,,CID1046746,CCC(=O)NC(Nc1sc2c(c1C(=O)OC)CCN(C)C2)(C(F)(F)F)C(F)(F)F
+,,0.0,,,0.0,,,,,,,,,,,,CID4568719,CSC1=NCCN1C(=O)Cc1ccc(F)cc1
+,,,,0.0,,,,,,,,,,0.0,0.0,,CID1003571,Cc1cccc(N(CC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)S(C)(=O)=O)c1C
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID651242,CCN(Cc1ccccc1)C(c1ccccn1)c1nnnn1C(C)(C)CC
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID2125096,CCCn1nc(C(=O)OCC(=O)c2ccc3c(c2)NC(=O)CO3)c2ccccc2c1=O
+,,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,CID645998,CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)s1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID5310065,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID1297890,COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cc1ccccc1[N+](=O)[O-]
+,,,0.0,,0.0,,,,,,,,,,,,CID3239294,Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID3159878,O=C1Nc2ccccc2C12NCCc1c2[nH]c2ccccc12
+,,,,,0.0,,,,,,0.0,,,,,,CID916005,CCCn1c2ccc(/C(C)=N/O)cc2c2cc(/C(C)=N/O)ccc21
+,,,,,,,,,,,,,0.0,,,,CID754842,COc1ccccc1C(=O)O/N=C(/c1ccccc1)c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID16190299,COc1ccc(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c(F)c1
+,,,,,,,,,,,,0.0,,0.0,,,CID895051,Cc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1
+,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,CID2874885,CN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21
+0.0,,,,,,0.0,,,,,,,,0.0,,,CID834466,O=C(NCc1ccccn1)c1cc(-n2cnnc2)ccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID3197508,CCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID645764,CCCCOCCCNC(=O)c1c(-c2ccccc2)noc1C
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID3235798,COc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc1
+,,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID2938119,COc1ccc(C)cc1NC(=O)C1CC(=O)OC12CCCCC2
+,,,,,,,,,,,,,,0.0,,,CID794945,CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1
+,,,,,,,,,0.0,,,0.0,0.0,0.0,0.0,,CID1246262,Cc1occc1C(=O)N1CCC2(CC1)OCCO2
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID870729,O/N=C/c1cccn1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,0.0,CID662394,COc1cccc(-c2nnc3n2N=C(c2cc(OC)ccc2OC)CS3)c1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID2998862,CC(C)C(NC(=O)CNC(=O)OC(C)(C)C)C(=O)NCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3469746,COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cn(Cc2ccc(Br)cc2)nc1-c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID661254,NS(=O)(=O)c1ccc(NC(=O)CN2CCCCC2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID707698,CCc1cc(=O)oc2cc3oc(C)c(C)c3cc12
+,,,,,,,,,0.0,,,,,,,,CID3724075,COC(=O)C(C)(C(=O)OC)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID681538,COc1ccc(/C=N/S(=O)(=O)c2ccccc2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID3221010,O=C(NC1CCN(C(=S)NCc2ccco2)CC1)NC12CC3CC(CC(C3)C1)C2
+0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,,CID1376877,COc1cc(OC)c(CN2CCN(c3ccc(F)cc3)CC2)cc1Br
+,,,,,,,,,,,,,,0.0,,,CID1087297,COC(=O)c1ccc(-c2ccc(/C=N/NC(=O)CC3(C)OCCCO3)o2)cc1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,,CID2142932,CCn1c(SC/C=C/c2ccccc2)nnc1-c1cccs1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID872693,CC(NC1CCCCC1)=C1C(=O)c2ccccc2C1=O
+,,,,,,,,,0.0,,,,,,,,CID788460,CC(NCCc1ccccc1)=C1C(=O)CCC1=O
+,,,,,0.0,,,,,,,,,,,,CID5784775,COc1ccc(C2SCC(=O)N=C3C2=C(C)NN3C2CCOC(C)(C)C2)cc1
+,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,CID664884,CC1CCN(C(=O)NC(Cc2ccccc2)C(=O)O)CC1
+,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,CID1245183,Cc1noc(C)c1C(=O)N1CCc2ccccc2C1
+,,,,,,,,,,,0.0,,,,,,CID3214004,COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccoc2C)cc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID665728,CCCOn1c(OCC(C)C)nc2ccccc2c1=O
+,,,,,,,,,,0.0,,,0.0,,,,CID715374,CCc1ccc(C(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID890395,CN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1
+0.0,,,,,,,,,,,0.0,,,,,,CID648898,Clc1ccccc1Nc1c2c(nc3ncnn13)CCC2
+,,,,,0.0,,,0.0,,,,,0.0,0.0,,,CID986188,CC(C)OC(=O)CSc1nnc(SCc2cccc3ccccc23)s1
+,,,,,,,,,,,,,,,0.0,,CID664830,COc1ccc(CCNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccncc3)c2=N)cc1
+,,,,,,,,,,0.0,,,,,,,CID3190119,Cc1ccccc1N(C(=O)Cn1nnc(-c2cccs2)n1)C(C(=O)NCCC(C)C)c1ccco1
+,,,,0.0,,,,,,,,,,,,,CID3373843,COc1ccc(-n2c(SCC(=O)Nc3nccs3)nc3c(c2=O)SC(C)C3)cc1
+,,,,0.0,,,,,,,,,,,,,CID3242822,CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2341255,COc1ccc(CNC(=O)CSc2cccc[n+]2[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID1233406,COc1cccc(/C=C2\SC(=O)NC2=O)c1OCc1ccc(C(=O)O)cc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2370829,Cc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2923279,CC(C)(C)CC(=O)Nc1cccc2c1CCCC2
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID2967191,CS(=O)(=O)N(CC(=O)NCC1CCCO1)Cc1ccc(Cl)cc1
+,,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,CID1319196,CN(c1cccc(NC(=O)CCSc2ccccc2)c1)S(C)(=O)=O
+,,,,,,,,,,,0.0,,,,,,CID3195571,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(NC(=O)c4ccccn4)cc3)C2)cc1
+,0.0,,,0.0,,,0.0,0.0,,,,,,,,,CID2180838,CCOCCCNS(=O)(=O)Cc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2951247,CCN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc21
+,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,CID1302053,O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCCCC2)CC1
+,0.0,,,,,0.0,,,,,,,,,,,CID3242620,Cc1c[n+]([O-])n(-c2ccc(C(=O)O)cc2)n1
+,,,,,,,,,,,,,,0.0,,0.0,CID1026525,COc1cc2nc(-c3ccc(Br)o3)oc(=O)c2cc1OC
+,,,,,0.0,,,,,0.0,0.0,,0.0,,,,CID2671752,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2ccc(C)cc2)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID2828170,O=C(O)CSC12CC3CC(C1)CC(C(=O)O)(C3)C2
+,,,,,,,,,,,0.0,,,,,,CID2941507,O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1cccc(Br)c1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1452340,Cc1ccc(C)c(C(=O)CSc2nnnn2C(C)C)c1
+,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,CID2873211,COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccsc1
+,,,,,,,,,,,,,0.0,,,,CID3211933,COCCNC(=O)C(c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1813292,COc1ccc(/N=C2/S/C(=C\c3cccs3)C(=O)N2CC(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2557297,O=C(/C=C/c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,,,,,,0.0,,,CID5308768,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc3c(c2)OCCO3)CC1
+,,,,,,,,,,,,0.0,,,,0.0,CID656022,O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
+,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,CID2335673,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1sc2ccccc2c1Cl
+0.0,,,0.0,,,0.0,,,,,,0.0,,,,,CID2280418,Cc1cc(OCCOCCN(C)CCO)cc(C)c1Cl
+,,,,,0.0,,0.0,,,,,,,,,,CID3242843,Cn1cc(CCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
+,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,CID893030,CN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID2765646,CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)NC(=S)N1
+,,,,,0.0,0.0,0.0,0.0,,,,,,,,,CID652255,CCOc1ccc(OCC)c(S(=O)(=O)N2CCCCC2C)c1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID664974,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CC(C)C)c(=N)c32)cc1
+,,,,,,,,,,,,,0.0,,,,CID3229420,Cc1nc(NCC2CCCO2)c2nnn(Cc3c(F)cccc3Cl)c2n1
+0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID5308716,O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCCC1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID649466,COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID665234,O=C(NCCN1C(=O)CCC1=O)c1ccncc1
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID2671884,Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2888036,Cc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID665519,CN1C(=O)c2oc3ccc(Br)cc3c(=O)c2C1c1ccncc1
+,,,,,,,,,,,,,,,0.0,,CID369617,COc1ccc(C(=O)C(CO)Oc2ccccc2OC)cc1OC
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID893099,CC(=O)C(C(C)=O)=C(N)N1CCN(c2cccc(Cl)c2)CC1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID659530,COc1ccc(NC(=O)Nc2nnc(C(C)C)s2)cc1
+,,,0.0,,,,,,0.0,,,,0.0,,,,CID651480,COc1ccc(CNC(=O)C(C)N(Cc2ccco2)C(=O)c2snc(C(N)=O)c2N)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID648679,CC(=O)NC1CC2CCCC(C1)N2CC(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID6100492,O=C(Nc1ccc(F)cc1)OCCN1CCN(Cc2ccccc2)CCC1=O
+0.0,,,,,,,,,,,,,,0.0,,,CID5308367,Cc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,CID2128947,CCOC(=O)c1[nH]c(CSc2nnc(-c3ccc(OC)cc3)o2)c(C(=O)OCC)c1C
+,,,,,,,,,,,,0.0,,,,,CID1259349,CCOc1cc(S(=O)(=O)n2cc(-c3ccc(F)cc3)c(N)n2)cc(OCC)c1OCC
+,,,,,,,,,,,,,,0.0,,,CID2987751,CC(=O)N1N=C(c2cccs2)CC1c1ccc(C)o1
+,,,,,,0.0,,,,,0.0,,,,,,CID1251952,Cc1c(F)cccc1NS(=O)(=O)c1ccccc1C#N
+,,,,,,,,,,,,,,0.0,,,CID2978954,Cn1cnnc1SCCCN1C(=O)c2cccc3cccc(c23)C1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1347073,O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4884496,CC(C(=O)NCC1CCCCC1)N1CCc2ccccc2C1
+,,,,,,,,,,,0.0,,,,,,CID747064,Cc1cc(NS(=O)(=O)c2ccccc2)no1
+,,,,,0.0,,,,,,,,,,,,CID841586,O=C(N/N=C/c1ccccc1F)c1csc2c1CCCC2
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID2480666,COc1ccc(OC)c(C(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID654095,CC(=O)c1oc2ccccc2c1N
+,,,,,,,,,,,0.0,,,,,,CID3148129,O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID2299113,CCCCOC(=O)c1ccc(S(N)(=O)=O)o1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID5310032,O=C(CSc1ccc2nnc(-c3ccccn3)n2n1)Nc1ccc2c(c1)OCCO2
+,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID1811597,O=C(CSc1nnc(CCCO)n1-c1ccccc1)Nc1nccs1
+,,,,0.0,,,,,,,,0.0,,,,,CID3245789,COC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID852870,O=C(Nc1cc2c(cc1Br)OCCO2)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID9551644,CCCCc1ccc(CC2S/C(=C(\C#N)C(=O)N3CCOCC3)N(c3ccccc3)C2=O)cc1
+0.0,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID4443991,O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1
+,,,,,,,,,,,,,0.0,,,,CID884189,CCC(=O)Nc1cccc(NC(=S)NC(=O)Cc2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID4076042,Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2862045,CCOC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
+,,,,,,,,,,,,,0.0,,,,CID877972,COC(=O)c1c(C)cc(OC(C)=O)c(C)c1OC(C)=O
+,0.0,,,,,,,,,,,,,,0.0,,CID888537,c1ccc2c(c1)ncn2CCC1CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID3235783,COC(=O)c1nnn(-c2nonc2N)c1-c1cccs1
+,,0.0,,,,,,,,,,,,,,,CID1164376,Cn1c(=O)c2c(ncn2CC(=O)N2CCN(c3ccccc3F)CC2)n(C)c1=O
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID754868,Cc1c(C(N)=O)c(N)c(C(=O)c2ccccc2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4918698,CCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=S)N2Cc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2834193,COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)nn1
+,0.0,,0.0,,,,,,,,,0.0,,0.0,,,CID3236386,Cc1cccc(NC(=O)CCn2nc(C)cc2C)c1
+,,,,,,,,,,,,,0.0,,,,CID837896,O=C(Oc1ccc2ccc(O)cc2c1)C1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID751286,CCC(=O)NCCc1nc2ccccc2n1CC
+0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID650282,COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC(C)C)o2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1590482,COc1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID808767,Nc1cc(C(=O)O)ccc1N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2389804,CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccccc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID728924,O=C(CCCC(=O)Nc1cccnc1)Nc1cccnc1
+,,,,0.0,,,,,,0.0,,,,0.0,,,CID2233875,COc1ccc(NC(=O)c2ccco2)c(NC(=O)Cc2cccs2)c1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,,,CID2917910,O=C(CNC(=O)C1CCCCC1)NCCCO
+,,,,0.0,0.0,,0.0,,,0.0,,,,,,,CID664597,COC(=O)C(NC(=O)Nc1ccc2c(c1)OCCO2)C(C)C
+,,0.0,,,,,,,,,,,,,,,CID2128689,Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1
+0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,CID1245150,COc1ccc(-c2csc(NC(=O)c3cc(C)on3)c2C#N)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1240360,O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)NCc1ccccc1
+,,,0.0,,,,,0.0,,,,,,,0.0,,CID2999654,CCCNC(=O)NC(C(=O)OC)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,0.0,,,,,,CID1816002,CCCN(CCC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID1266914,Cc1nn2c(-c3ccncc3)nnc2c2ccccc12
+,0.0,,,,,,0.0,,,,,0.0,,0.0,0.0,,CID3245226,CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID644469,CCOC(=O)c1cccc(NC(=O)CSc2nnc(CNc3ccc(C)cc3)n2CC)c1
+,0.0,,,,0.0,,,,,,0.0,0.0,,,0.0,,CID652738,Cc1csc(NC(=O)CSc2nnc(-c3ccoc3C)n2CCc2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2266061,CC(C)(C)SCCNC1=NS(=O)(=O)c2ccccc21
+,,,,,0.0,,0.0,,,,,,,,,,CID661736,Cc1ccccc1N1C(=O)CC(Sc2nnc(-c3ccccc3)o2)C1=O
+,,,,,,,,0.0,,,,,,,,,CID1449293,COc1cccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cn2)c1
+,,0.0,,,,,,,,,,,,,,,CID5764624,Cc1ccc(C2CC(C(F)(F)F)N3NC(C(=O)NCc4ccco4)=CC3=N2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3220756,Cc1cc(C)cc(NC(=O)CN2CCC(NC(=O)Cc3ccccc3)CC2)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID744466,O=C(NCCc1ccccc1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID575084,Nc1nnc(COc2ccccc2)s1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID650150,CCSC1=C(C#N)C(=O)n2c1cc1c2CCCC1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID3242013,CCOC(=O)N1CCC(NC(=O)CC(NS(=O)(=O)c2ccc(Cl)cc2)c2ccco2)CC1
+,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID653536,O=C(Nc1cc(=O)c2ccccc2o1)N1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID2145571,Cc1oc(-c2ccc(F)cc2)cc1-c1nn2c(-c3ccoc3C)nnc2s1
+,,0.0,,,,,0.0,,,,,,0.0,,,0.0,CID5308915,Cc1cc(C(=O)NCCCN2CCOCC2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID5228132,CC(=O)Nc1ccc(NC(=O)c2ccc(C3SCC(=O)N3CCc3ccccc3)cc2)cc1
+,,,,,,0.0,0.0,,,,,,,0.0,0.0,,CID3245299,CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccccc3)c2n1
+,,,,,,,,,,,,,0.0,,,,CID1483985,CCOC(=O)CSc1ncc(-c2cccc(Cl)c2)cn1
+0.0,,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,,CID747408,Cc1ccc(S(=O)(=O)c2nc(C)oc2NCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5347622,O=C(NCCN1CCOCC1)C1=CNN2C1=NC(c1cccs1)CC2C(F)(F)F
+,0.0,,,,,,,,,,0.0,,,,,,CID718247,COc1ccc2[nH]c(C)c(C(=O)CN(C)C)c2c1
+,,,,,,,,,,,,,0.0,,,,CID1482649,Cc1ccc(-n2cc(S(=O)(=O)c3ccc(C)cc3)[nH]c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3218662,COc1ccccc1NC(=S)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID1089313,CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,,,CID3243425,CC(C)C(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
+,,,,,,,,,0.0,,,,,,,,CID2833532,CC1=C(C)CC(C(=O)c2ccc(C)cc2)C(C(=O)O)C1
+0.0,,,,,,,,,0.0,,,,,,,,CID3240345,CCCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID2877810,O=C(Nc1ccncc1)C1COc2ccccc2O1
+,,,,,0.0,,,,,,,,,0.0,,,CID900059,CCOC(=O)c1ccc(-c2ccc(CO)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6508301,Cc1cc(SCC(=O)NN/C=C2\C=CC(=O)C=C2O)c(C)cc1Br
+,0.0,,,,,0.0,,,,,,,,0.0,0.0,,CID649338,Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1C
+,,,,,,,,,,,,,,,0.0,,CID655364,O=C(c1ccco1)N1CCN(C(c2ccc(Cl)cc2)c2nnnn2CC2CCCO2)CC1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2119832,Cc1cc(C(=O)CSCc2nnc3n(CCC(C)C)c(=O)c4ccccc4n23)c(C)n1C
+,,,0.0,,,,,,,,,,,,,,CID3241099,O=C(Cc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID666035,CS(=O)(=O)Nc1ccc2c(c1)nc1n2CCOC1
+,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,,,CID1311300,O=S(=O)(c1cccc2ccccc12)N1CCSC1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID5307462,O=C(Cn1cc2c(n1)CCCC2)NC1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID740253,CC(C)Sc1nc2ccc(Br)cc2[nH]1
+,,,,0.0,,,,,,,,,,,,,CID3244788,CCCN1CCC2(CC1)NC(CO)(CO)CO2
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID665824,c1csc(Cc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)c1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID784242,CCOc1cc(CNc2ccccc2SC)ccc1O
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID658019,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCSc1nc2ccccc2o1
+,,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,CID1079729,COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O
+0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,,,CID3242036,COc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1
+,,0.0,,0.0,,,,,0.0,,,,0.0,,,,CID1259968,COc1cc(NC(=O)CSc2nnc(C)s2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID819718,O=C(c1ccc(Br)cc1)N1CCCC1
+,,,,,,,,,0.0,,,,0.0,,,,CID9551491,COc1ccccc1CNC(=O)C(CCSC)NC(=O)C1CCC(C)CC1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2948721,CCOC(=O)c1cc(NC(=O)Nc2ccccc2OC)c(C)nc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID9541173,CCC(=O)Nc1ccc(-c2nnc(SCc3ccc(C(=O)Nc4nccs4)cc3)n2CC)cc1
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID647043,COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2cc1OC
+0.0,,,,,,,,,0.0,0.0,,,,0.0,,,CID2125675,O=C(NCc1ccco1)c1nc(-c2ccccc2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID969610,CN(C)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1
+,,,,,,,,,,,,,0.0,,,,CID4528353,COc1nc(Cc2ccc(Cl)cc2)nc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2446492,Cc1nc2ccc(NC(=O)CCS(=O)(=O)c3ccc(Cl)cc3)cc2s1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID889783,CCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O
+0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,CID2999417,CCCCn1c(=O)n(CC(O)c2ccccc2)c(=O)c2c1ncn2C1CCCC1
+0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,CID660084,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,,,,,,,,,,CID2197460,Cc1cc(C)c(C#N)c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID1825875,Cc1ccc(-c2nnc(N(NC(=S)C(=O)Nc3ccccc3)c3ccccc3)n2-c2ccccc2)cc1
+0.0,,,,,,1.0,,0.0,,0.0,,,,,0.0,0.0,CID2192936,O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc(Br)o1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2587014,Cc1cc(C)n2nc(SCN3C(=O)c4ccccc4C3=O)nc2n1
+,,,,,,,,,0.0,,,,0.0,,,,CID322321,O=c1c2ccccc2ncn1-c1cccc(Cl)c1
+,,,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,CID712669,CNC(=O)CCC(=O)C1=C(NC)CC(C)(C)CC1=O
+,,,,,0.0,,,,,,,,,,,,CID3529049,CCc1c(O)nc(SC2CC(=O)N(c3ccccc3)C2=O)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID2441921,S=C(NCc1ccccc1)NCc1cccc(CNC(=S)NCc2ccccc2)c1
+0.0,0.0,,,,,0.0,,,,,,,,0.0,,0.0,CID655585,Cc1ccn2cc(C(=O)Nc3ccccc3N3CCOCC3)nc2c1
+,,,,,,,0.0,,0.0,,,0.0,0.0,,,,CID653710,CCOC(=O)CSc1nnc(-c2ccco2)n1C
+,,,,,,,0.0,,,,,,,0.0,,,CID3244607,CCOC(=O)N1CCN(C(=O)COc2cc(=O)n(CC)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2365759,COc1ccc(CNC(=O)COC(=O)c2cncc(Br)c2)cc1
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID664211,COc1ccc(-c2ccc(-c3noc(-c4ccncc4)n3)c(OC)n2)cc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID646245,COC(=O)c1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID692663,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1
+,,,,,,0.0,,,,,,,,,,0.0,CID652605,CC(c1nnnn1C1CCCCC1)N(Cc1ccccc1)Cc1cccnc1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID666608,Cc1nn2c(-n3ccnc3)c3c(nc2c1-c1ccccc1)CCC3
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,,CID2872562,COc1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccc(Br)cc3)C2)c1
+,,,,,0.0,,,,,,,,,,,,CID2269654,O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccco1
+0.0,,,,,,,0.0,,,,,,,,,,CID5309812,COc1ccc(OC)c(CCNC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
+0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,,CID650994,Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccccc1N
+,,,,0.0,,,,,,,,,,,,,CID662378,FC(F)(F)c1cccc(-n2cccc2/C=N/n2cnnc2)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID3237805,O=C1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1
+,,,,,,,,,,,,0.0,,,,,CID2999819,Cc1cc(=O)oc2cc(OCC(=O)N3c4ccccc4CC3C)ccc12
+,,,,,0.0,,,,,,,,,,,,CID3709850,O=c1nc2n(c(O)c1C(c1c(O)n3c(nc1=O)SCC3)c1cccc3ccccc13)CCS2
+,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID3236958,CCCCNC(=O)c1nnn(-c2ccccc2)c1N
+,,,,,,,,,,,,,0.0,,0.0,,CID5309319,CC1CCC(NC(=O)Cn2cc3c(n2)CCCC3)CC1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID3241404,O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCC1COc2ccccc2O1
+,,,,,0.0,,,,,,0.0,,,,,,CID589052,O=S1(=O)C=CC(Nc2ccccc2)C1
+,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID645408,CCOC(=O)c1c(NC(=O)Cn2nnc3ccccc32)sc2c1CCC(C)C2
+0.0,,,,,,,,,,,,,,,,,CID3245519,Cc1ccc(NC(=O)N(Cc2ccco2)C(C)c2ccco2)cc1C
+,,0.0,,0.0,0.0,,,,,,,,,,,0.0,CID3239505,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)ccc21
+,0.0,,,,0.0,,,,,,,,,,,,CID2331284,Cc1cc(-c2nnc3n2CCCCC3)c(C)n1-c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID1258635,CC(=O)Nc1cccc(OC(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID4193540,COc1ccccc1NC(C)C(=O)Nc1ccc(C(C)=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID3245276,COCCN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2=O)C1c1c[nH]c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID3806009,C/C(=N\Oc1nc(C)cc(C)n1)c1ccc(Cl)cc1Cl
+,,,,0.0,,0.0,,,,,,,,,,,CID2953396,CC1CCN(S(=O)(=O)c2cccc(C(=O)N(C)C3CCS(=O)(=O)C3)c2)CC1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID714553,CCOC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C
+,,0.0,,,,,,,,,0.0,,,,,,CID664658,N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCC(C(N)=O)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID5309854,O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)NCC1CCCO1
+,,,,,,,,,0.0,0.0,,,0.0,0.0,,,CID2566033,CC(C)(C)NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID1400830,Cn1c(N/N=C2\CCCc3ccccc32)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID345002,COC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID700091,C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C
+,,,,,,,,,,,0.0,,,,,,CID11957264,CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID653939,Cc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1
+,,,0.0,,,,,,,,,,,,,,CID3237322,O=C(Cn1cnc2ccccc2c1=O)NCC(=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3262567,CC1(C)CC(=O)C(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)C(=O)C1
+,,,,0.0,,,,,,,,0.0,,0.0,,,CID665400,Cc1cccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c1
+,,,,,,,,,,,,,,0.0,,,CID12004682,CC1=CC(NN/C=C2\C=CC(=O)C(C)=C2O)=N/C(=C2/C=CC=CC2=O)N1
+,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,CID975485,COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID5203279,O=C(NCC1CCCO1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1
+,0.0,,,,,,,,,0.0,,,,,,,CID848757,c1ccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2946221,Cc1ccc(NC(=O)C(C)Sc2nc(=O)cc(N)n2-c2ccccc2)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308447,O=C(NCc1ccccn1)c1nnc(Cc2ccc(Cl)cc2)o1
+,,,,,,,,0.0,,,,,,,0.0,,CID650455,CCCNC(=O)CCC(=O)Nc1ncc(-c2ccc(C)cc2)n1C
+,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,CID2958111,COc1ccc(NC(=O)C(Cc2ccccc2)NC(=O)c2ccco2)cc1OC
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2857352,Cc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1
+,,,,,,,,,,0.0,,,,,,,CID3140425,CCOC(=O)c1cnc(SCC(=O)Nc2ccccc2C(=O)OC)nc1N
+,,,,,,,,,,0.0,,,,,,,CID1484996,CSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID748264,CC1(C)Cc2ccccc2C(NNC(=O)c2cccnc2)=N1
+,,,,,0.0,,,,,,0.0,,,,,,CID6402388,O=C(CSc1nnc2c3ccccc3c3ccccc3c2n1)Nc1ccccc1F
+,,,,,,,,,,,0.0,,,,,,CID3161619,CC(C)(C)N1CC(c2nc3ccccc3n2CCOc2ccccc2)CC1=O
+,,,,,,,,,,,0.0,,,,,,CID842434,C/C(=N\NC(=O)c1cccc(C)c1)c1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID4270974,CCOc1ccc(NC(=O)CN2C(=O)C3CCCN3C2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID3238418,O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,0.0,,,,,,,,,,,,,,,,CID4898223,CCN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,,CID3240123,CCOC(=O)Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O
+0.0,,,,,,,,,,,,,,0.0,,0.0,CID665958,Cc1cc(N2CCN(C(=O)c3ccco3)CC2)n2nc(C)c(-c3ccccc3)c2n1
+,,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,CID2215855,COc1cccc(OC)c1OCCCSc1nc(=O)cc(C)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID953646,Cc1ccccc1OCC(=O)Nc1ccccc1N1CCC(C)CC1
+,,,,,,,,,,,,,,0.0,,,CID16189010,CCOC(=O)C1(Cc2ccccc2Cl)CCN(C(=O)CCn2ccnc2C)CC1
+,,,,,0.0,,,,,,,,,,,,CID697249,Cc1cc(NCc2ccccc2)nc(N2CCOCC2)n1
+0.0,,,,,,,,,,,,,,,,,CID5191194,CC(=O)N1CCN=C1SCc1ccc(Br)cc1
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+,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0,CID647651,CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1
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+,0.0,,,,,,,,,,0.0,,,,0.0,,CID2571277,CCCCn1c(N)c(N(CCC(C)C)C(=O)CSc2nnc(C)s2)c(=O)[nH]c1=O
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+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3245755,CC1CC(C)CN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)C1
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+,,,0.0,,,,,,,0.0,,,,,,,CID3238088,O=C(O)CCCCCNc1nc(=S)[nH]c2ccccc12
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+,,,,,,,,,,,,,,,0.0,,CID1021979,COc1ccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC
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+,0.0,,,,,,,0.0,,0.0,,,,,,,CID2545261,CCn1c2ccccc2c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3nc21
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+0.0,,,,,,0.0,,,,,,,,0.0,,,CID2529131,O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCCC1=CCCCC1
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+,0.0,,,,,,,,,,,,,,,,CID3000117,CC(C)n1nc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c2ccccc2c1=O
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+0.0,,,,,,,,,,0.0,,,,,,,CID5308646,Cn1cccc1Cc1nnc(SCC(=O)N2CCCCCC2)n1-c1ccc(F)cc1
+0.0,,,,,,,0.0,,,0.0,,,,,0.0,,CID651598,COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCc3ccccc32)c1
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+0.0,,,0.0,,,,,,,,,,,,,,CID3238164,O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID1129331,COc1ccc(OCC(=O)N2c3ccccc3CCc3ccccc32)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID3241999,CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O
+,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID872263,C1CCN(c2nc3nonc3nc2N2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1714535,N#C/C(=C\C=C\c1ccccc1)C(=O)NCc1ccco1
+,,,,,,,,,,,,,,,0.0,,CID2895145,CC(=O)Nc1cc(NC(=O)C2C3C=CC(C3)C2C(=O)O)ccc1Cl
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID661039,N#CC1=C(N)C(C#N)(C#N)C(c2c(F)cccc2F)C2CC3(CC=C12)OCCO3
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID2529884,CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc3c(c2c1=O)CCCC3
+,0.0,,,,0.0,,,,,,,,,,0.0,0.0,CID3239453,CCOC(=O)N1CCC(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)CC1
+,0.0,,0.0,,,,,,,,,,,,,,CID651126,CCCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N
+,,,,,,,,,,,,,,,,0.0,CID3115332,CCOC(=O)C(O)(c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)C(F)(F)F
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+,,,,0.0,,,,0.0,,,,,,,,,CID2997783,Cc1nc(NS(=O)(=O)c2cccs2)c2c3c(sc2n1)CCC3
+,,,,,,,,,,,,,0.0,,,,CID1129725,CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N
+,,,,,,,,,0.0,,,,0.0,,,,CID1151515,CC(C)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID836334,Cc1ccc2nc(NC(=O)Cc3cccs3)sc2c1
+,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID3241743,C=C1N(CCCCCC(=O)O)C(=O)OC12CCCCC2
+,,,,,,,,,,,,,,,0.0,,CID666954,c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccncc3)nn12
+,,,,,,,,0.0,,,,,,,,,CID2950733,CC(=O)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
+,,,,,,,0.0,,,,,,,,,,CID5389150,O=N/C(Nc1ccccc1)=C(/NO)Nc1ccccc1
+,,0.0,0.0,,,,,,,,,,0.0,,,,CID719933,CCOC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
+0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID651877,COc1ccc(Cn2nnnc2CN2CCC(c3nc4ccccc4s3)CC2)cc1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID3242807,COc1ccc(C2C(C(=O)NCc3cccnc3)c3ccccc3C(=O)N2C)cc1OC
+0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID663090,COc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID718473,Cc1nc(N2CCCCC2)c2sc(=S)n(C)c2n1
+0.0,,,,,,,0.0,,,,,,,,,,CID3244060,O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCCC1=CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5225717,CN(C)S(=O)(=O)c1cccc(C(=O)NC2CCCc3ccccc32)c1
+,,,,,,,,,0.0,,0.0,,,,,0.0,CID2416361,Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1O
+,,,,,0.0,,,,,,,,,,,,CID599043,Cc1ccccc1N1C(=O)CC(SC2=NCCS2)C1=O
+,,,,0.0,,,,,,,,,,,,,CID396455,Cc1cc(C)n(C(=O)CSc2nnc(SCC(=O)n3nc(C)cc3C)s2)n1
+,,,,,0.0,,,,,,,,,,,,CID3219238,Cc1ccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccs2)cc1
+,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,CID1300325,CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID1287754,CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
+,,,,,,,,,,,,0.0,,,0.0,,CID5308495,Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1
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+0.0,,,0.0,,,,,,,,,,,,,,CID3241278,O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
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+,0.0,0.0,,,,0.0,,,,,,,,,,,CID666454,COc1ccc(F)cc1CN1CCN(c2cc(C)nc3c4c(C)cc(C)nc4nn23)CC1
+,,,,,,,,,,0.0,,,,,,,CID2829891,CCCNC(=O)NC(C)C12CC3CC(CC(C3)C1)C2
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+,,,,,0.0,,,,,,,,,,,,CID979726,Cc1ccc2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)n2c1
+,,,,0.0,,,,,,,,,,,0.0,,CID648968,CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1
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+,,,,,0.0,,0.0,0.0,,,,,,,,,CID663918,N#Cc1nc(-c2ccco2)oc1N1CCOCC1
+,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,,CID5307751,CCC(C)NC(=O)c1cc(CC(C)C)on1
+0.0,,,,,,0.0,,,,,,,,,,,CID1245223,O=C(c1cccnc1)N(Cc1ccccc1)c1ccccc1
+,,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,CID658588,COc1[nH]c(/N=C/c2ccccc2)c(C#N)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID4053664,COc1ccc(-n2nc(C(=O)NCc3ccco3)c3ccccc3c2=O)cc1
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+,,,,,,,,0.0,,,,,,,,,CID2947420,Cc1ccc(S(=O)(=O)C2CCOC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2458500,CCc1ccc(C(=O)COC(=O)c2cncc(Br)c2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2498201,O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)NCCN1C(=O)CSC1=O
+,,,,0.0,,,,,0.0,,,,,,,,CID662980,CCOc1cccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)n2N)c1
+,,,,,,,,,,,,0.0,0.0,,,,CID3242889,CCN(CCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccccc1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,CID2242362,Cc1ccc(NC(=O)NCCCN2CCOCC2)cc1
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+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID1245528,Cc1cnn(C(=O)c2ccccc2Br)c1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID767491,Cn1c(=O)n(C)c2ncc(Cl)cc21
+,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0,CID975566,COc1ccc(S(=O)(=O)N2CCn3c2nc2ccccc23)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1917244,C=C(C(=O)c1ccccc1)C(C)C(=C)C(=O)c1ccccc1
+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID1355632,COc1cc(C(=O)Oc2ccccc2N)cc(OC)c1OC
+,,,0.0,,,,,,,,,,,,0.0,,CID647674,Cc1nc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c2c3c(sc2n1)CCCC3
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID644947,Cn1cccc1-c1cc(C(=O)O)[nH]n1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID2332522,COc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1cccnc1
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+,,,,,,,,0.0,,,0.0,,,,,,CID976805,CCOC(=O)N1CCC(Nc2nc(OC)nc(OC)n2)CC1
+,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,,CID2615834,Cc1ccc(-n2nnnc2SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cc1
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2970422,CCC(C(=O)N1CCC2(CC1)OCCO2)c1ccccc1
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+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID2228311,c1csc(-c2noc(COc3ccc4c(c3)CCCC4)n2)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID697326,Cc1[nH]c(=S)[nH]c(=O)c1Cc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID5309146,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21
+,,,,,,,,,0.0,,,,,,,,CID2398938,Nc1nc(SCC(=O)Nc2ccccc2-c2ccccc2)n[nH]1
+0.0,,,,,,,,,,,,,,,,,CID2375568,COc1ccc(CC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2212554,CC(C)OCCCNC(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID979678,CCOc1cc(CNc2ccc3c(c2)OCCO3)cc(Br)c1OCC
+,,,,,,,,0.0,,,,,,,,,CID1248075,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)C1CCCCC1
+,,,,0.0,,,,,,,,,,,,,CID1251793,O=C(CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1)Nc1ccccc1Cl
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID647564,CCn1c(SCC(N)=O)nnc1-c1ccc(OC)c(OC)c1
+0.0,,,,,,,,,,,,,,,,,CID2953653,Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12
+,,0.0,,,,0.0,,,,,,,,,,,CID5390062,COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2ccc(C)cc2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID1418739,CCc1cc(C(=O)O)c(NC(=O)C(c2ccccc2)c2ccccc2)s1
+,0.0,,,,0.0,0.0,,,,,,,,,,,CID5308802,COc1cccc(Nc2cc(C)nc3nc(C)nn23)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID649686,Cc1ccc2c(c1)cc(CN(Cc1ccc3c(c1)OCO3)S(=O)(=O)c1ccccc1)c1nnnn12
+0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,CID673608,CCOc1ccccc1C(=O)Nc1ccccc1C(N)=O
+,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID667132,CCOC(=O)CN1C(=O)C(O)(CC(=O)c2cccc(OC)c2)c2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,,CID2327907,c1nnc(NC2=NCCCCC2)s1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID2979135,O=C1CC(N2CCC(c3nc4ccccc4o3)CC2)C(=O)N1Cc1cccs1
+,,,,,,,,,0.0,,,,,,,0.0,CID650696,CC(C)CC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,CID3236007,CCOc1ccc(OCC)c(NC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1432034,Cc1ccc(NC(=O)c2ccc(Nc3ccccc3F)nc2)cc1
+,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,,CID795012,CCOc1cccc(C(=O)Nc2cccnc2)c1
+,,,,,,,,,,,,,,0.0,,,CID16187961,CCc1cc(C(=O)N2CCCC(CNS(=O)(=O)c3cccs3)C2)n(C)n1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID3236626,CCOc1cc2c(cc1OCC)C(c1cc(OC)c(O)c(OC)c1)NCC2
+,,,,,,0.0,,,,,,,,,,,CID5389732,O=C1C2C3CCCN3C3(C(=O)Nc4ccccc43)C2C(=O)N1c1cc(Cl)cc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID1480667,COc1ccc(Oc2cnn(-c3ccccc3)c(=O)c2Br)cc1
+,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID1942568,COc1ccc(OC)c(Nc2nc(N)nc(-c3cc4ccccc4o3)n2)c1
+,,,,,,,,,,,,,,0.0,,,CID2212207,Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)Nc3ccc(F)cc3F)cc2)cc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID785362,COc1ccc2c(CC#N)c[nH]c2c1
+0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID646992,CC(C)(C)NC(=O)C(c1ccccc1)N(C(=O)c1csnn1)C1CC1
+,,,,0.0,,,,,,,,,,,,,CID3236707,CCCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC
+0.0,,,,,0.0,,,0.0,0.0,,,,,,,0.0,CID661503,COc1ccc(CCNc2oc(COc3ccccc3)nc2C#N)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3214183,COc1cccc(C(=O)CSc2nc3cccnc3n2C)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID692041,COc1cc(SC)ccc1C(=O)Nc1ccc(Cl)cn1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID3238676,COc1ccc(C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID1301815,CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID800760,Cc1c(C=O)c(C=O)c(C)n1Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3192193,O=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21
+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,CID3238397,Cn1/c(=N/C(=O)CSCC(=O)N2CCCC2)sc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID722105,CCOC(=O)c1sc(SC)c(C(C)=O)c1C
+,,,,,,,0.0,,,,,,,,,,CID2935429,CC(Oc1ccccc1F)C(=O)NCCN1CCCCC1
+,,0.0,,,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,CID645394,CS(=O)(=O)N1CCc2cc(C(=O)OCC(=O)c3ccccc3)ccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID1473461,Cc1nc(CCN2C(=O)c3ccccc3C2=O)cs1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID6400962,CCOC(=O)CSc1nncc2ccc(OC)c(OC)c12
+,,,,,,,,,,,,,0.0,,,,CID2122407,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1305910,O=C(c1ccccc1NS(=O)(=O)c1ccc(Br)s1)N1CCCC1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID2828564,CC12CCC3(CO)COC(c4ccccc4O1)C2C3
+,,,,,,,0.0,,,,,,,,,,CID2974193,CCCNC(=O)CCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)NCCC
+,,,,,,,,,,,,,0.0,,,,CID656298,O=C(c1ccc2c(c1)OCCCO2)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2380804,O=C(CSc1ccc(Br)cc1)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID5056985,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCC(C)CC2)cc1
+,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,,,,CID648972,O=C1CC(C(=O)N(CC2CCCO2)C(C(=O)NC2CCCCC2)c2ccncc2)CS1
+0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,CID2927293,CCn1c(SCc2nc(-c3ccccc3)no2)nc2ccccc21
+,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,,CID651389,Cc1ccc2nc(-c3ccc(SCC(=O)Nc4cc(C)on4)nc3)[nH]c2c1
+,,,,0.0,,,,,,,,,,,,,CID2940774,Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1S(=O)(=O)N1CCOCC1
+0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,CID1292142,COc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2OC)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID663802,CCCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
+0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID2919458,Cc1c(N2C(=O)CSC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,,0.0,,CID2192628,CC(C)c1ccc(OC(=O)NCCO)cc1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3241905,COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1355435,Cc1cn(S(=O)(=O)c2ccc(Br)c3ccccc23)cn1
+0.0,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,CID974086,CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1
+,,,,0.0,,,,0.0,0.0,,,,0.0,,,,CID1263683,COc1ccc(CCNS(=O)(=O)c2cccc(C(=O)O)c2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID897141,CCn1cc(CNC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cn1
+,,,,,,,,,,,,,,0.0,,,CID4214545,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2)c(C)c1
+,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,CID584975,COc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID9551253,CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3F)CC2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2148819,O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID2214185,C=CCOc1ccc(CNc2nccs2)cc1OCC
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+,,,,,,,,,,,,,0.0,,,,CID852879,O=C(CCc1ccccc1)Nc1cc2c(cc1Cl)OCCO2
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+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID3236710,COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)c1
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+,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID650691,CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC(C)C)o1
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+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID5153448,CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCc2cccnc2)cc1
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+,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID2959773,CCN(CC)C(=O)C(C)N(C#N)c1nc(SC)nc(N(C)C)n1
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+,,,,,,,,,,,0.0,,,,,,CID2874943,O=C(NCc1cccnc1)/C(=C/c1ccco1)NC(=O)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID3461857,O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)Cc2cccc(Cl)c2)o1
+,,,,,,,,,,,0.0,,,,,,CID566520,Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID1432785,Cc1cc2nc(-c3ccc(SCC(=O)N4CCc5ccccc54)nc3)[nH]c2cc1C
+,0.0,,0.0,,,,,,,,,,,,,,CID1169203,O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1nc2ncccn2n1
+,,,,,,0.0,,,,,,,,,,,CID3802283,COC(=O)C(C)Sc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4
+,,,,1.0,,,,,,,,,,,,,CID3137831,CC1=C(SCCC#N)S/C(=C2\SC(C)=C(SCCC#N)S2)S1
+,,,,,0.0,,,,,,,,,0.0,,,CID988917,CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccccc2C)c1=S
+,,,0.0,,,,,,,,,,,,,,CID667134,Cc1cccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID1294585,COc1ccc(Cl)cc1Nc1nc(N2CCCC2)nc(N2CCCC2)n1
+,,,0.0,,,,,,,,0.0,,,,,,CID684139,CC1(C)Cc2ccccc2-c2nnnn21
+,,,,,,,0.0,,,,,,,,0.0,,CID1242554,COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
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+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID665281,O=C(Nc1nnc(CCN2CCCCC2)s1)C1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID1099333,O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,,,,,,,,,CID659926,CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
+,,,0.0,,,,,,,,,,,0.0,,,CID2548067,Cc1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc(-c4nnco4)cc3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID697152,COc1cc(C(=O)Oc2cc(C)cc(C)c2)cc(OC)c1OC
+,,0.0,,,,,,,,0.0,,,0.0,,,,CID5389657,CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccn2)cc1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID2997988,CC1CCc2c(C(=O)N3CCN(S(=O)(=O)c4cccs4)CC3)csc2C1
+0.0,,,,,,,,,,,,,,,,0.0,CID712208,COC(=O)c1oc2ccc(Br)cc2c1NC(C)=O
+,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,,CID217791,COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccccc2)C1
+0.0,,,,,,,,,,,,,,,,,CID2940132,CC1(C)C(C=C(Cl)Cl)C1C(=O)N1CCN(c2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID3243050,COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2827442,CCCCN1CCc2c([nH]c3ccc(C)cc23)C1=O
+,,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID776118,COc1ccc(O)c(C(=O)CC(=O)c2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID942915,CCOc1ccc2nc(NC(=S)N(C)C)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID3322324,CN1c2ccccc2C(=O)NC1c1ccc(Cl)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID3241556,O=c1c2cc(Cl)ccc2nc2ccc(N3CCCC3)nn12
+,,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,CID776717,CC(C)CC(=O)N1CCN(C(=O)CCC2CCCC2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3792007,COc1ccc(NC(=O)c2ccc(-n3cccn3)nc2)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID647005,CCCOC(=O)CCn1c(=S)oc2ccccc21
+0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,,CID660782,Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1567779,NC(=S)N/N=C/c1cccc(Br)c1
+,,,,,,,,0.0,,,,,,,,,CID2973101,O=C(Nc1cccnc1)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID2997784,CC(C)CN(C(=O)COC(=O)Cn1cnc2ccccc2c1=O)C1CCS(=O)(=O)C1
+,,,,,0.0,,,,,,,,,,,,CID9550280,CCc1ccc(NC(=O)CNC(=O)c2cn(-c3ccccc3OC)c(=O)c3ccccc23)cc1
+,,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID649131,CCOC(=O)c1cc2sccc2n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4187107,O=C(Nc1c2c(nc3ccccc13)CCCC2)c1ccccc1F
+,,,,,0.0,,,0.0,,0.0,,,0.0,,,,CID758254,O=C(c1c(O)oc2ccccc2c1=O)C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID870049,Cc1ccsc1/C=N/N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1143779,CCOC(=O)c1cnc(SCC(=O)c2ccc(Cl)cc2)nc1N
+,,,,0.0,,0.0,,,,,,,,,,,CID890595,Cc1ccc(CC(=O)Nc2cccc(C)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID677888,O=c1c2ccccc2ncn1Cc1ccc(Cl)cc1
+0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID1191191,O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCc2ccccc21
+,0.0,,,,,,,,,,,,,,,0.0,CID651496,Cn1c(=O)n(CC(=O)O)c(=O)c2c1nc1n2CCS1
+,,,,,,,,,0.0,,,,,,,,CID5054376,CCc1ccc(NC(=O)C(CC)Sc2nc3cc4c(cc3c(=O)n2Cc2ccco2)OCO4)cc1
+,,,,,0.0,,,,,,,,,,,,CID2532242,O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NCCc1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID655886,CCOC(=O)c1nnn(-c2nn3nnnc3c3ccccc23)c1C
+,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID651897,COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)c1
+,,,,,0.0,,,,,,,,,,,,CID7312199,CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(C)cc2)c(C)cc1C
+0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,CID660584,O=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID9551572,Cn1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(=O)n(C)c1=O
+,,0.0,,,,,,,,,,,,,,,CID5310652,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1/C=C/c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1121197,COc1ccccc1-n1c(C)cc(C=O)c1C
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID760210,O=C(Nc1ccc2ccccc2c1)c1cnccn1
+,,,,,,,,0.0,,,0.0,,,,,,CID3239217,COc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1
+0.0,0.0,,,,,0.0,,0.0,,,,,,,,,CID664608,Cn1c(=O)c2c3c(sc2n2c(SCC(N)=O)nnc12)CC(C(C)(C)C)CC3
+,,,,,0.0,,,0.0,,,,,,0.0,,,CID2475651,CC(C)n1nc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID970153,CCOc1cc(S(=O)(=O)N2CCCC2)c(C)cc1C
+,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID3151071,CCOCCn1c(SCc2ccc(F)cc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2237216,CCOc1ccc(NC(=O)CNC(=O)c2cccs2)cc1
+,,0.0,,,0.0,,,,0.0,,,,,,,,CID802824,CC(=O)Nc1nnc(SCC(=O)NC(C)(C)C)s1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID691987,CN(C)c1ccc(C(=S)N2CCOCC2)cc1
+,,,,,,0.0,,,,,0.0,,,,0.0,,CID880362,Fc1ccc(COc2ccc(/C=N/n3cnnc3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2769256,CCn1ncc(N(C)N)c(Cl)c1=O
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID5309012,C1=C(c2ccccc2)CCN(c2nc3ccccc3n3cnnc23)C1
+,,,,,0.0,,,,,,0.0,,,,,,CID1358578,Cc1cccc(NC(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c1C
+0.0,,,,,0.0,,,,,,,,,,,,CID3243857,O=C1c2cccnc2C(O)N1C1CCCCC1
+,,,0.0,0.0,,,,,,,,,,,,,CID2997949,Cc1cc(C)n2cc(CSc3nnnn3-c3ccccc3C)nc2n1
+,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID644701,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1511382,CCCN1CNc2c(c(=O)[nH]c(=S)n2-c2ccc(Cl)cc2)C1
+,,,,,,,,0.0,,,,,,0.0,,,CID673926,Nc1nnc(SCc2ccccc2Cl)s1
+,,,,,,,,,,,0.0,,,,,,CID3195169,Cc1ccc(-n2nnnc2SCC(=O)Nc2sc(C)c(C)c2C#N)cc1C
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3236004,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21
+,,,,,,,,,,,0.0,,,,,,CID2954228,Cc1cc(C)cc(NC(=O)CC2NCCNC2=O)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID5308763,CC(=O)c1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1
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+0.0,,,,,,,,,,,,,,,,,CID2052819,COCCN1C=C(C(=O)OC)C(c2cc3c(cc2Br)OCO3)C(C(=O)OC)=C1
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+,,,0.0,,,,0.0,,,,,,,,,,CID1253251,COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccccc2F)o1
+0.0,,,,,,,,,,,,0.0,,,,,CID1086088,CC(C)(CSc1nncn1N)NS(=O)(=O)c1ccc(Cl)cc1
+0.0,,,,,0.0,,0.0,,,,0.0,,,,,0.0,CID663736,COC(=O)C(Cc1ccccc1)NC(=O)N1CCN(Cc2ccccc2)CC1
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+,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID645677,CCc1nnc(NC(=O)C2CCN(c3nccc(C)n3)CC2)s1
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+,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID652135,COc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(C(C)C)s1
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+,0.0,,,,,,,,0.0,,,0.0,,,,,CID647671,Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
+,0.0,,,,,,,,0.0,,,,,,,,CID5310659,CCCCCN/C(C)=C1/C(=O)Oc2ccccc2C1=O
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+,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,0.0,CID565804,Cc1cc(C)n(C2=NS(=O)(=O)c3ccccc32)n1
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+0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID2145574,Cc1oc(-c2ccccc2Cl)cc1-c1nn2c(-c3ccco3)nnc2s1
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+,0.0,,,,,,0.0,,,,,,,,,,CID659867,CN1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1
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+,,,,,,,,,,,,,0.0,,,,CID2906396,O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1
+0.0,,0.0,,,,,,0.0,,,0.0,,,,,,CID665472,COc1cc(-c2noc(CCC(=O)Nc3cccnc3)n2)cc(OC)c1OC
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+,0.0,,,,0.0,0.0,,,,,0.0,,,,,,CID666626,CC(=O)c1c(O)n(C)c(=S)n(-c2ccccc2)c1=O
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+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3242350,Cn1cnnc1SCc1ccccc1Br
+,,,,,,,,,,,,,,0.0,,,CID2349370,COc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1
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+0.0,,,,,,,,,,,,,,,,,CID1346216,O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1
+0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID646993,Cc1occc1-c1nnc(SCC(=O)NCc2cccs2)n1CC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID1363467,COc1ccc(Br)cc1C(=O)Nc1ccc(Cc2ccncc2)cc1
+,,,,0.0,,,,0.0,,,,,,,0.0,0.0,CID3242430,COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3cccs3)o2)cc1OC
+,0.0,0.0,,,,,,,,,,,,,,,CID5390067,COc1cccc(C2C(C(=O)NCc3ccccc3)=C(C)N=C3N=CNN32)c1
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+,,,,,,,,,,,0.0,,,0.0,,,CID1394690,CNC(=O)c1cc(Nc2nnc(C)c3ccccc23)ccc1OC
+,,,,0.0,,0.0,,0.0,,,,0.0,,,,,CID654019,COc1ccc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID1294784,CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID3093946,COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\Cc3ccccc3)N(c3ccccc3)C1=O)S2
+,,0.0,,,,0.0,,,,,,,,,,,CID785951,Cc1cc(C)n(-c2nc(C)nc(N)n2)n1
+,,,,,,,,,0.0,,,,,,,,CID2045154,Cc1ccc(CSc2ncnc3c2cnn3Cc2ccccc2)cc1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID2035523,COCCn1c(-c2ccccc2)nc(=S)c2c1CC(C)(C)OC2
+,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,CID2202721,CSc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O
+,,,,,,,,0.0,,,0.0,,,,,,CID2953737,Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(=O)NC1CCCCC1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID660748,CCOC(=O)C1/C(=N/O)CC(C)(O)C(C(=O)OCC)C1c1ccc(N(C)C)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID4227132,CCSC1=C(C#N)C(c2cccc(O)c2)CC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID6537362,O=C1C=CC=C/C1=C\Nn1c2ccccc2c2ccccc21
+,,,,,,,,,,,,,,,0.0,,CID5307616,Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)ccc1Br
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,CID2998221,CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)s1
+,,,,,,,0.0,,,,,,,,,,CID5771350,COc1cc(C2=NC3=NC4=C(C(=O)CCC4)C(c4cccc(OC)c4OC)N3N2)cc(OC)c1OC
+,,,,,,,,,,,,,,,0.0,0.0,CID4252310,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID16189143,c1ccc(Cn2cc(CN3CCCCO3)c(-c3ccc4c(c3)OCO4)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID893001,Cc1cccc(-c2noc(-c3ccc4c(c3)OCO4)n2)c1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID2106749,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1C
+0.0,,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,CID1088681,COC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl
+,,,,,,,,,0.0,,,,0.0,,,,CID1818631,CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC
+,,,,0.0,,,,,,0.0,,,,,,,CID650490,COc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(C)CC1
+,,,,,,,,,0.0,,,0.0,,,,,CID3239432,O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2cccc(F)c2)c1=O)NCc1ccco1
+,,,,,,,,0.0,,0.0,,,,,,,CID656077,O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2792004,CCn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O
+,,,,,,,,0.0,0.0,,,,,,,,CID2961449,Cc1cc(C)cc(C(=O)N2CC(C)OC(C)C2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID2218351,COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID651978,COCCSc1nnc(-c2cnccn2)o1
+,,,,,,,,,,,0.0,,,,,,CID1008789,C/C(=N\NC(=O)c1cccs1)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2098298,Nc1c(Cl)cc(Cl)cc1C(=O)OCC(=O)NC1CC1
+,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID649682,COc1cccc(-n2nnnc2SCC(=O)Nc2cccc(C)n2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID2288011,CC(C)(C)SCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1
+0.0,,,,,,,,,,,,,,,,,CID5309561,N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1c(Cl)cccc1Cl
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID645056,CCCCCOc1ccc(NS(C)(=O)=O)cc1
+,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,CID646156,Cc1ccccc1NC(=O)C1CCN(c2cnccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2282892,COc1cc(C)ccc1OCCOCCOc1ccc([N+](=O)[O-])cc1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1242143,CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Br)o2)CC1
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,,CID3243822,COc1ccc(-n2nnc3c(SCC(=O)Nc4ccc5c(c4)OCCO5)ncnc32)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID663347,Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2cccnc2)cc1
+0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID648243,CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2832668,O=C(Nc1ccc(Br)cc1)C1CC=CCC1C(=O)OCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID7157941,CCCC(=O)Nc1ccc2c(c1)C(=O)NC2=O
+,,,,,,,,,,,,,0.0,,,,CID843896,Cc1ccccc1NC(=S)NNC(=O)c1ccoc1C
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID801474,COc1cc(C)c(S(=O)(=O)N2CCN(C)CC2)cc1C
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,,,CID75526,CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1C
+,,,,,,,,,,,,,0.0,,,,CID2198602,COc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID659041,CSCCC(CO)NC(=O)OCc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID1084417,CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O
+0.0,0.0,,,,,,,,,,,0.0,,,,0.0,CID2153219,CCCSc1nc2n(-c3ccc(C)c(C)c3)[nH]cc-2c(=O)n1
+0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,,,CID3242682,Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(F)cc4)n3n2)no1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID5310641,Cc1c(N/C=C2/C=CC=N2)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID9550954,O=C(NCc1ccc(F)cc1)c1cnn2ccccc12
+,,,0.0,,,,,,,,,,,,,,CID645666,C#CCNc1nc(C)nc2c1nnn2Cc1ccccc1F
+,,,0.0,0.0,,,,,,,,,,0.0,,,CID3235767,COCCCNC(=O)CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccccc3)C(=O)N12
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID779947,Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1[N+](=O)[O-]
+,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID1301791,CCn1cc(Br)c(C(=O)N2CCN(c3ccccc3)CC2)n1
+,,,,,,,,,0.0,,,,,,,,CID5893661,N/C(Cc1ccc(Cl)cc1)=N\OC(=O)c1ccccc1
+,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID533807,CCOC(=O)COc1ccc2nsnc2c1Cl
+,,,,,0.0,,,,,,,,,0.0,,,CID2963042,Cc1ccc(S(=O)(=O)C(C)C(=O)c2ccc3c(c2)OCCO3)cc1
+,,,,,0.0,0.0,,,0.0,,,,0.0,,0.0,,CID649260,COc1ccc(N2C(=O)C(Cl)=C(N3CCCC3)C2=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID1132233,CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2Cl)nc1C
+,,,,,,,,,,,0.0,,,,,,CID866174,Fc1ccc2c(c1)=C(c1ccncc1)NN=C(c1cccnc1)N=2
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID3245332,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)N2CCCCC2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3235997,O=C(O)Cn1cc2c(n1)CCCC2
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0,CID3236474,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccco2)C1
+,,,,,,,,,,,,,,0.0,,,CID1321747,CC(C)(C)c1nnc(NC(=O)Cc2ccc(Br)cc2)s1
+,,,,,0.0,,,,,,,,,,,,CID6622503,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)c1
+,,,,,,0.0,,,,,,0.0,0.0,,0.0,,CID795779,CCC(CC)C(=O)NCc1ccccc1OC
+,0.0,,0.0,,,,,,,,,,,,,,CID2851017,CCC12CC3CC(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2
+,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,CID651118,O=c1[nH]n(CC2COC3(CCCCC3)O2)c(=O)c2ccccc12
+0.0,,,,,,,,,,0.0,,,,,,,CID1367143,COc1ccccc1N1CCN(C(=O)COc2ccc(Cl)cc2Br)CC1
+0.0,,,,,,,,,,,,,0.0,,,,CID3238359,O=C(NCCCN1CCN(C2CCCCC2)CC1)Nc1ccccc1C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID88881,COc1cc(OC)c2c(=O)cc(-c3ccccc3)oc2c1
+0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID3237150,COc1ccccc1/C=c1\sc2nc(-c3ccco3)nn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID747868,Cn1ncc([N+](=O)[O-])c1C(=O)Nc1ccc(C2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID874795,O=C(COc1ccc2ccccc2c1)NC1C2CC3CC(C2)CC1C3
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID249097,c1ccc2[nH]c(-c3nc4ccccc4[nH]3)nc2c1
+,,,,,,,,,,,0.0,,,,,,CID1767917,Cc1nn(CCC(=O)NNC(=S)NCC(C)C)c(C)c1Br
+,,,,,,,,,,,,,0.0,,,,CID3472610,COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1
+,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,CID645361,CC(C)CC(C(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)c2ccccc2C1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID1001748,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1
+,0.0,,,,,,,,,,,0.0,,,,,CID661740,CCOC(=O)C(N)CSC1CC(=O)N(c2ccc(C(=O)OC)cc2)C1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID5497819,CCN1C(SCC(=O)N2CCc3ccccc32)=NN/C1=C1/C=Nc2ccccc21
+0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID2998363,COc1cccc(-n2c(SC3CCOC3=O)nc3ccccc3c2=O)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID836723,CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccccc1C)OCO2
+,,,,,,0.0,,,,,,,,,,,CID663858,Cc1ccc2c(C)nc(NC3=NCN(CCc4ccccc4)CN3)nc2c1
+,,,0.0,,,,,,,,,,,,,,CID652999,CCNc1nc(NC(C)(C)C)nc(N(C#N)CC)n1
+,,,,,,0.0,,,,,0.0,,,,,,CID648001,CCc1nnc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)s1
+0.0,,,0.0,,,,,,,,,,,,,,CID665879,COc1ccc(N2CCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3235779,CC1CCN(S(=O)(=O)c2ccc3[nH]cc(C(=O)NCCN4CCOCC4)c(=O)c3c2)CC1
+,,,,,0.0,0.0,0.0,0.0,,,,,,,,,CID646328,CCOC(=O)C1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1886670,COc1ccc(CN(CCC#N)C(=S)NC(=O)c2ccccc2)cc1
+,,,,0.0,,,,,,,,,,,,,CID659334,Cc1cc(=O)oc(C)c1C(=O)NCCNC(=O)c1c(C)cc(=O)oc1C
+,,,,,0.0,,,,,,,,,,,,CID1969203,CCCOc1ccc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID66759,Cc1ccccc1NCCNc1ccccc1C
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID664516,CCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID2969506,C=CCN1C(=O)C(O)(CC(=O)c2ccc(-n3cccc3)cc2)c2ccccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID2080637,O=C(NCCCN1CCCC1=O)c1ccc(OCc2ccccc2)cc1
+,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,,CID3242735,CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3cc(C)cc(C)c3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID1146584,COc1ccc(C(=O)NNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3105000,CCCC12C(=O)C(C)(C(c3ccccc3)=C1c1ccccc1)C1C(=O)N(c3ccc(C)cc3)C(=O)C12
+0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,CID656384,CCc1nnc(NC(=O)c2ccc(COc3ccccc3)o2)s1
+,,,,,,,,,,,0.0,,,,,,CID11839289,Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc(C(=O)O)c2)C1=O
+0.0,,,,,,,0.0,,,,,0.0,,0.0,,,CID649492,Cn1c(-c2ccco2)nc2cc3ccccc3cc21
+,,,,,,,,,0.0,,0.0,,,,,,CID5611824,CCOC(=O)c1oc2cc(C)cc(O)c2c(=O)c1-c1csc(C)n1
+,,0.0,0.0,,,,,,,,,,,,,,CID2963489,CCOCCCn1c(=N)c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc21
+,,,,,,,,,,0.0,,,,,,,CID743519,Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)cc1
+,,,,,,,,,,,0.0,,,,,,CID741078,Cc1ccc(C)c(NC(=O)c2ncn[nH]2)c1
+,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,CID805006,O=C(CSc1ncnc2nc[nH]c12)NCCc1ccccc1
+,,,,,,0.0,0.0,,,,,,,,,,CID602728,CC12CN3CCN(CC(C3)C1O)C2
+,,,,,,,,,,0.0,,,,,,,CID2366096,CC/N=c1\scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1
+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID3244005,Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1
+,,,,0.0,,,,,,,,,,,,,CID3238169,CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)s1
+,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0,CID887018,CN(C)S(=O)(=O)n1cnc(-c2ccccc2)c1-c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID2052992,Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1
+,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,CID654483,CC(=O)c1ccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)cc1
+,,,,,,,0.0,,,,,,,,,,CID6400931,CNC(=O)c1ncnnc1N(C)C(=O)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID835741,O=C(COc1cccc2ccccc12)NCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1007679,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccccc4)CCCC3)cc2)n1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID3243017,CCn1c(=O)cc(SCC(=O)NCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1223133,O=C(NCc1ccco1)c1ccc(COc2ccccc2Cl)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID3245235,CCSc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(C)cc2)s1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID652948,OC(COc1ccc2ccccc2c1)Cn1ccnc1
+,,0.0,,,,,0.0,,,,,,,,,,CID3242820,C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3c2c(=O)oc2ccccc32)c2ccccc21
+,,,,,,,,,,,0.0,,0.0,,,,CID1292146,Cc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1
+,,,,,,,,,0.0,,0.0,,,,,,CID2767926,COC(=O)c1sccc1-n1cccc1C(=O)C(=O)N1CC(C)OC(C)C1
+,,,,,,,,0.0,0.0,,,0.0,0.0,,,,CID2322057,Cc1cc2ccccn2c1C(=O)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID775100,Cc1ccc(CSCC(=O)N2CCOCC2)cc1
+,,,,0.0,0.0,0.0,,,,,,,0.0,,,,CID1051351,COC(=O)c1sc(S(=O)(=O)N2CCCCC2)c(C(=O)OC)c1C
+,,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID648728,CCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,,,,0.0,,,,,,,,,,CID2849727,CCCOc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
+0.0,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,,CID665437,CCOc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID1386806,CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2c(CN2CCN(C)CC2)c1O
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID755499,COC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2109636,Cc1ccnc2nc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)nn12
+,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID1299609,Cc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4
+,,,,,,,0.0,,,,,,,,,,CID646978,CCCn1c(SCC(=O)NCCc2ccc(OC)c(OC)c2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID2901510,CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1
+,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,CID734787,CCCc1cc(=O)nc(Nc2ccc(OC)c(Cl)c2)[nH]1
+,,0.0,,,,,,,0.0,,0.0,,,,0.0,,CID974881,COc1ccc(OCCC(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5694222,COc1ccc(CCNC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1
+0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,,,CID878057,CCOC(=O)c1ccc(-c2ccc(C(=O)Nc3cccnc3)o2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3242259,CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccccc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID4357675,O=C(Nc1nc(-c2ccccn2)cs1)C1COc2ccccc2O1
+,,,,,,,,,,0.0,0.0,,,,,,CID2955511,O=C(CCc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID1420690,Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(C)s3)nnc2-c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2887723,O=C1c2ccccc2NC(c2ccccc2F)N1c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2343763,CN(C)/N=C/c1ccc(N2CCOCC2)cc1
+,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,CID666692,CC(=O)N(Cc1cccnc1)Cc1cc2ccccc2[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2126689,O=C(CSc1nnc(-c2ccncc2)o1)NCc1ccc(Cl)cc1
+,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,CID742551,Cn1cnc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID2563735,Cc1ccc(-c2csc3ncnc(N4CCN(C(=O)c5ccccc5)CC4)c23)cc1
+,,,,,,,,0.0,,,,,,,,,CID2974126,Cc1ccc(N(C(C)C(=O)N2CCC(C)CC2)S(C)(=O)=O)cc1C
+,,,,,,,,,,0.0,,,,,,,CID3174716,Cc1ccc(-c2nnn(CC(=O)N(CC3CCCO3)C(C(=O)NC3CCCC3)c3ccc(F)cc3)n2)o1
+,0.0,,,,,,,,0.0,,,,,,,,CID3242308,CN1C(=O)CC(c2ccco2)Sc2ccccc21
+,,0.0,,,0.0,,,,,0.0,,,,,,,CID5389934,CC(=O)C(C#N)=C1Nc2ccccc2N1
+,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,CID660561,Cc1cc(NC(=O)CSc2nc(-c3cccnc3)ccc2C#N)no1
+,0.0,,,,,,,0.0,,,,,,,,,CID666998,Cc1csc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)n1
+,,,,,,,,,0.0,,,,,,,,CID3236563,Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID840315,Cc1cc(NC(=O)c2cnccn2)no1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID756661,Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(F)cc2)cc1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID3153881,CC(=O)Nc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5308574,COc1cc(NC(=O)c2cc(C(C)C)on2)cc(OC)c1OC
+,,0.0,0.0,,,,,,,,,,0.0,,,,CID648333,COC(=O)c1ccccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1
+,,,,,,,,,0.0,,,,,,,,CID1992902,COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID3972597,CCCNCCC(c1ccco1)c1ccccc1OC
+,,,,,0.0,,,,,,,,,,,,CID2789930,Cc1ccc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID3690580,COc1ccc(CN2CC(C(=O)NCC3CCCO3)CC2=O)cc1
+,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,CID616884,CC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID985344,CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1OC(C)=O
+,,,,,,,,,,,,,,0.0,,,CID1438565,CS(=O)(=O)NCc1nnc(SCc2c(F)cccc2Cl)o1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID5742467,C/C(N)=C(/C#N)C(=O)COC(=O)C1Cc2ccccc2CN1S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID15944910,CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID3240290,COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID2423353,C=CCn1c(C)cc(C(=O)CSc2ccc(NC(C)=O)cc2)c1C
+,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID851524,Cc1ccsc1CNn1cnnc1SCc1ccccc1F
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2159338,COc1ccc(OC)c2c1s/c(=N\C(=O)c1ccco1)n2C
+,,,,,,,,,,,0.0,,,,,,CID645936,CCC(C)(C)NC(=O)C(c1cccnc1)N(CCOC)C(=O)Cn1nnc2ccccc21
+,,,,,,,,,0.0,,,,,0.0,,,CID2175232,O=C(OCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(F)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2099550,CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)cc1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,CID742752,O=C(CSc1nc(=O)c2ccccc2[nH]1)c1cccs1
+,,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID657501,N#Cc1c(N)n(C2CCCCC2)c2nc3ccccc3nc12
+,,,,,,,,,,0.0,,,,,,,CID3196702,COc1cccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2OC)C(=O)c2ccco2)c1
+,,,,,,,0.0,,,,,,,,,,CID6603748,N#CSc1ccc2oc(C3=NCCN3)cc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID889659,Cc1cccc(C(=O)N2CCc3ccccc3C2)c1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID3247741,CC(=O)Nc1cc(C(=O)N2CCCC2)ccc1Sc1ccc(Cl)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID5293365,CC(O)c1nc2ccccc2n1C/C=C/c1ccccc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2207151,COc1ccc(Cl)cc1NC(=O)N1CCN(S(C)(=O)=O)CC1
+0.0,0.0,,,,,,,,,,,0.0,0.0,,,,CID5308280,CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCN(C)CC2)c1C
+,,,,,,,,,0.0,,0.0,,,,,0.0,CID647557,COc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCCCC3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID227593,CCOC(=O)c1c(C)[nH]c(C)c1C=O
+,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID663573,CCN(CC)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
+,,0.0,,0.0,,,,0.0,,,,,0.0,,,,CID667398,COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID2480797,COc1ccc(C)cc1-n1nnnc1SCC(=O)N1CCC(C(=O)Nc2nccs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5310168,Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccs4)n3n2)no1
+,,,,,,,,,,,0.0,,,,,,CID764881,CNc1nc2c(C)cccn2c(=O)c1/C=N/Cc1ccccc1
+0.0,,0.0,,,,,0.0,,,0.0,,,,,,,CID2973043,Cc1ccc2oc(-c3cccc(NC(=O)C4CCCO4)c3)nc2c1
+,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,CID1978135,Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2321890,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2nncn2C)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID4895205,O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2ccccn2)N1CCCN1CCOCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID653803,COc1ccc(N2CC(C(=O)NCc3cccnc3)CC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2359389,CSc1ccccc1NC(=O)COC(=O)c1ccccc1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5768010,COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1274193,Cc1c(N2C(=O)CSC2=S)c(=O)n(-c2ccccc2)n1C
+,0.0,,,,0.0,,0.0,,,,,0.0,,,0.0,,CID3593872,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC3CC3)o2)cc1
+0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,0.0,CID647919,Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)NCc3ccco3)n12
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID5307531,CCCc1cc(C(=O)NCCc2ccccc2)no1
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID1747704,CC(C)=C(NC(=O)c1ccccc1)C(=O)NCCCC(=O)O
+,,0.0,,,0.0,0.0,,,,0.0,,,,,,,CID603360,O=S1(=O)CC=C(CSc2nc3ccccc3[nH]2)C1
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+,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID873976,O=C1C(=CNCc2cccnc2)C(=O)c2ccccc21
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+,,0.0,,,,,,,,,,,,,,0.0,CID652391,O=C1C2C3CCCC3=C3CCCC3C2C(=O)N1c1ccc(Cl)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1092427,O=C1c2ccccc2-c2ccc(C(=O)N3CCCCC3)cc21
+,,,,,,,,,,,0.0,,,,,,CID5423670,COc1ccc(CN2CN=C3Nc4ccccc4N3C2)cc1
+,,,,,,,,,,,,,,,0.0,,CID3241126,Cc1nnc(SCCn2c(N3CCC(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1
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+,,,0.0,0.0,,,,,,,,,,,,,CID654634,Fc1ccccc1Cn1nnc2c(NCCc3ccccn3)ncnc21
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID951672,Nc1[nH]c(SCC(=O)N2CCCC2)nc(=O)c1-c1ccccc1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2998923,O=S1(=O)CCN2C(c3ccc4c(c3)CCCC4)=CSC2=N1
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+,,,,,,,,,,,,,,0.0,,,CID2982726,CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID1788577,Cc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID5347464,O=C(NCc1ccco1)C1=CC2=NC(c3ccc(Br)cc3)CC(C(F)(F)F)N2N1
+,,,,,,,,0.0,,,,,,,,0.0,CID789094,O=S(=O)(NC1CCCCC1)c1ccc(Br)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID3806837,COc1cccc(NC(=O)CCc2nc(-c3ccccc3F)no2)c1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID1114880,COc1cc(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc(OC)c1OC
+,0.0,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID644993,COCCNS(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
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+,,,,,,,,,0.0,0.0,,,,,,,CID1138785,CCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3236929,CNC(=O)Cn1ncc2c(C)n(Cc3ccc(C)cc3)c(C)c2c1=O
+,,,,,,,,,0.0,,,,0.0,,,0.0,CID644427,CCCc1cc(=O)oc2cc(OCC(=O)N(C)C)c(Cl)cc12
+0.0,,,0.0,,,,,,,,,,,,,,CID2998510,Cc1ccc2c(Cl)cc(Cl)c(OCc3c(C)noc3C)c2n1
+,,,0.0,,,,,,,,,,,,,,CID3241372,CCOCCCn1c(=S)[nH]c2ncccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID11958529,CCCCN(CCCC)CCCNC(=O)C1CC(c2cccc([N+](=O)[O-])c2)=NO1
+,0.0,,,,0.0,,,0.0,,,,,,,,0.0,CID662333,CC(C)(C)C1=Nn2c(nnc2-c2ccco2)SC1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID3240208,O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCCC1
+,,,,0.0,,,0.0,,,,0.0,,,,0.0,,CID3244009,CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)noc1C
+,,,,,,,,,,0.0,,,,,,,CID2464322,Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)n1
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,0.0,CID3244432,CCOc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccncc2)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID2606735,O=C(CSc1ccc2c(c1)OCCO2)NC(=O)NC1CCCC1
+,,,,,,,,0.0,,,,,0.0,,,,CID3216344,CC(C)N(C(=O)C(F)(F)F)C(C(=O)NC1CCCCC1)c1ccncc1
+,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,CID650239,O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1
+,0.0,0.0,,,,,0.0,0.0,,,,,,,,,CID1291165,O=C(CCn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,,0.0,,CID662613,Cc1cccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c1
+,,,,,,,,,,,,,0.0,,,,CID6669643,CC(=O)n1cc(C2C=C(C(=O)O)OC(OCCCCO)C2)c2ccccc21
+0.0,,,,,,,,,,,,,,,,0.0,CID663150,CC(C)(C)C(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1077862,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1
+,,,,,,,,,,,,,,,,0.0,CID3244168,COC(=O)C(O)(c1cn(C)c2ccccc12)C(F)(F)F
+,,0.0,0.0,,0.0,0.0,,,,,,,,,,,CID661406,CC1(C)CC(=O)C(CCCN2C(=O)c3ccccc3C2=O)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2164180,COc1cc(NC(=O)c2c(Cl)cnn2C)c(OC)cc1Cl
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID664810,CC(C)Sc1nc(SCC(=O)NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3
+,,,,,0.0,,,,,,,,,,,,CID1257248,CCc1cccc(-n2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(=O)Nc3ccc(F)cc3)n2)c1
+,,,,0.0,,,,,0.0,,,,,,,,CID2098823,Cc1ccc(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID5260656,CN(C)Cc1cnc2ccc(Cl)cn12
+,,,,,,,,,,,,,0.0,,,,CID5529576,CCNC(=S)N/N=C1\C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,CID3236324,O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1
+,,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID665524,CC1=Nn2c(nnc2-c2cc(-c3ccccc3)n[nH]2)SC1
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID3239478,CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cc(Cl)ccc1C)C(=O)N1CCOCC1
+,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,CID1295310,Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2N(C)C)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID659753,C1=Nc2c(NCc3ccccc3)ncnc2Oc2ccccc21
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID2125696,O=C1COc2ccc(C(=O)CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc2N1
+,,,,,,,,,,,,,,0.0,,,CID893172,CC(=O)Nc1ccc(C(=O)OCc2ccc(Br)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4573991,O=C(NCCc1ccc(Cl)cc1)C1CCC(=O)N1Cc1ccccc1Cl
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID661592,CN1CCN(c2nc(C(N)=O)cc(-c3ccccc3)n2)CC1
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID647370,CC(=O)Nc1cccc(NC(=O)CSc2nnnn2C(C)C)c1
+0.0,,,,,,,,,0.0,,,,,,,,CID655944,CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID667799,O=C(COc1ccccc1)N1c2ccccc2Sc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID1010889,CCN(CC)C(=O)c1sc(NC(=O)c2ccoc2C)c(C(=O)OC)c1C
+,,,,,0.0,,,,,,,,,0.0,,,CID787228,CC(=O)Oc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID649706,CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(Cn2nnc3ccccc32)s1
+,,,,,0.0,,,,,,,,,,,,CID690568,COC(=O)c1cc(C(=O)N2CCc3ccccc3C2)cc([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID1285279,CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccco1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2998436,c1ccc(NC2=Nc3ccccc3CS2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID4086499,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1
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+,,,,,,,,0.0,,,,,,,,0.0,CID2180784,O=C(Nc1c(F)c(F)c(F)c(F)c1F)NC1CCCCC1
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+,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID5307727,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(C)c3)ccc21
+0.0,,,0.0,,,,,,0.0,,,,,,,,CID747784,CC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID843897,Cc1cccc(-n2c(-c3csc(C(C)C)c3)n[nH]c2=S)c1
+,,,,,,,,,,,,,,0.0,,,CID725603,COC(=O)c1ccc(NC(=O)CCOc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID186315,COc1ccc(NC(=O)OC(C)C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2913848,CC(Oc1ccc(Cl)cc1Cl)c1nc(-c2ccccn2)no1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID664482,COc1ccc(-c2ccc(-c3noc(-c4cccs4)n3)c(OC)n2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID2335665,O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccccc1
+,0.0,,,,,,,,,,0.0,,,0.0,,,CID5752531,COc1ccc(C/C(N)=N/n2cnnc2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID3787031,CCOC(=O)c1cc(CC)sc1NC=C1C(=O)CCCC1=O
+,0.0,,,0.0,,,,,,,,,0.0,,,0.0,CID661711,CC(=O)/C(C#N)=C1\NC(=O)C(Cc2ccccc2Cl)S1
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+,,,,,,,,0.0,,,,,,,,0.0,CID2997965,COc1ccc(NC(=O)c2cncc(Br)c2)c(S(=O)(=O)N2CCOCC2)c1
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+,0.0,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID646267,CN(C(=O)c1cccnc1)c1nnc(-c2ccccn2)s1
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+0.0,,,,,,,0.0,,,,,,,,,,CID3243049,COc1ccc(CCNC(=O)C2CCC(CNc3c(N4CCCC4)c(=O)c3=O)CC2)cc1OC
+,,,0.0,,,,,,,0.0,,,,,,,CID3237918,COC(=O)CC1Oc2ccccc2N(Cc2ccc(C)cc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID5422049,O=C1C=CC([N+](=O)[O-])=C/C1=C\Nn1cnc2ccccc21
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+,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,,CID665796,CCOc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1
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+,,,,,,,,,,,0.0,,,,,,CID1225458,O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1ccc([N+](=O)[O-])cc1
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+0.0,,,,0.0,,,,,,,,,,,,0.0,CID653099,CC1CCCCN1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21
+,,,,,,,0.0,0.0,,,0.0,,0.0,,0.0,,CID650763,O=C(O)CCc1ccc(-c2cccs2)n1CCC(=O)O
+,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,CID2232918,CCSCc1nnc(SCC(=O)c2ccc(OC)cc2)n1C
+,0.0,,,,,,,,,,,,,,,,CID3244646,CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID5308033,CN(CC(=O)NCCC1=CCCCC1)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID2915104,COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)C3COc4ccccc4O3)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID879377,O=C(/C=C/c1ccccc1)Nc1nnc(-c2ccccc2)s1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID3237201,CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cc(OC)ccc1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID1466618,CCc1nc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c2c(C)c(C)sc2n1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID2239011,Cc1cccc(OCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID2483463,Cc1cc(NC(=O)COC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)no1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,CID2125074,Cc1cc(NC(=O)Cn2cnc3sc(C)c(-c4ccccc4)c3c2=O)no1
+,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,,,CID695003,O=C(COc1ccccc1)N1CCN(C(=O)Cc2ccccc2)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID646956,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
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+,,,,,,,,,0.0,,,,,,,,CID972500,Cc1cccc(C)c1OCc1n[nH]c(=S)o1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID5307878,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCCC1C)O2
+0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0,CID1867624,CC(C)OC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1
+,0.0,,,,0.0,,0.0,,,,,,,,,0.0,CID2121656,Cc1ccc(NC(=O)NC2=N/C(=C(/C#N)C(=O)N3CCCC3)c3ccccc32)cc1
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+,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID2098678,COc1ccc(NC(=O)CCNC(C)=O)cc1NS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID1971455,Clc1ccc(OCCCc2nc(-c3ccncc3)no2)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID3304383,O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1Cc1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID5453598,Cc1ccccc1N1NC(C(=O)c2cccs2)=CC(=C2N=c3ccccc3=N2)C1=N
+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,CID647929,CC(C)CNC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3560269,O=C(NC(C(=O)N/N=C/c1c2ccccc2cc2ccccc12)c1n[nH]c(=O)c2ccccc12)c1ccccc1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID2999229,CC1CN(C(=O)C(C)Sc2nc3ccccc3s2)CC(C)O1
+,,,,,,,,,,,,,0.0,,,,CID970707,Cc1cc(=O)oc2cc(NC(=S)NCc3ccccn3)ccc12
+,,,,,,,,,,,0.0,,,,,,CID788029,CC(=O)NC1=NN(c2ccccc2)C(=O)C1
+,,,,,,,0.0,0.0,,,0.0,,,,,0.0,CID3241022,Cc1ccccc1CN1CCN(CC(=O)NCc2ccc3c(c2)OCO3)C1=O
+,,,,,,,,,,,,,,0.0,,,CID1093929,Cc1cc(C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CCC4)nc2n1
+,,,,,,,,,0.0,,,,,,,,CID1094080,Cc1c(OCC(F)(F)F)ccnc1CSc1nc2ccccc2[nH]1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID3236759,c1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1
+,,0.0,,,,,,0.0,,,,,,,,,CID929015,COc1cccc2c1nc(C)c1cc(C)oc12
+,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID3239945,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc(F)ccc1F
+0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0,CID1047583,COc1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1NC(=O)c1ccco1
+,,,,,,,,,,0.0,,,0.0,,,,CID729970,CCCc1cc(=O)nc(SCc2ccc(Cl)cc2)[nH]1
+,,,,,,,0.0,,,0.0,0.0,,0.0,0.0,,,CID2843656,CCOC(=O)c1cnc(-c2ccccc2)nc1N
+,,,,,,,,,,,,,,,0.0,,CID2946270,CC(C(=O)NCc1ccccc1)N1C(=O)C2CC=C(Cl)CC2C1=O
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID2394567,O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,,,,,,,,,,CID678575,CN(C)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID664704,Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4cccnc4)n(CC4CCCO4)c3nc12
+,,,0.0,,,,,0.0,,0.0,,,,,,,CID1017333,CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)ccc1OCC(=O)NC(C)(C)C
+,,,,,,,,,,,,,,0.0,,,CID2915284,COc1ccc([N+](=O)[O-])cc1N(CC(O)CN1CCCC1)S(=O)(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID847640,Cc1ccc(/C=N/NC(=O)Cn2nnc3ccccc32)o1
+,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID220776,c1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID5389393,Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID660693,CCCc1[nH]nc2c1C1(CCN(C(=O)OCc3ccccc3)CC1)C(C#N)=C(N)O2
+,,,,0.0,,,,,,,,0.0,,,,,CID2891038,COCCCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2995778,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1O
+,,0.0,,,,0.0,,,,0.0,0.0,,,,,,CID2947717,COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(N3CCN(c4ccccc4)CC3)C2=O)c1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID657806,Cn1c(NCc2ccccc2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C
+,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID3242893,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCCC3CC)c21
+,,,,,0.0,,,,,,,,,,,,CID9550554,CC1CCN(CC(C)CNC(=O)c2cc(-c3ccccn3)nc3ccccc23)CC1
+,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID892486,CCn1c(C)c(C(C)=O)c(NCc2ccccc2)nc1=S
+,,,,,0.0,,,,,,,,,,,,CID5347990,COc1ccc(N/C(C)=C/C(=O)c2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4889021,COc1ccc(C2=NOC(COc3ccc(Cl)c4cccnc34)C2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1216177,COc1ccc(C2OCC3(CO2)SC(=O)NC3=O)cc1OC
+0.0,,,,,,,,,,,,,,,,,CID645981,COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)N(C(C)C)C(C)C)CC2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID974070,CNc1nc(N2CCc3ccccc32)ncc1F
+,,,,0.0,,,,,,,,,,,,,CID2316940,CCOC(=O)C1CCN(S(=O)(=O)C(F)(F)c2nc3ccccc3s2)CC1
+1.0,,,,,,,,,,,,,,,,,CID5308125,Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(CC(C)C)on1
+,,,0.0,,,0.0,,,,,,,,,,,CID2978111,O=C(CSc1nnc(Cc2ccccc2)o1)NC1CC2CCC1C2
+,,,,,0.0,,,,,,,,,,,,CID2948660,COc1ccccc1OC(C)C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
+,,,,,,,,,,,,,,0.0,,,CID1090393,COc1cc(N2CCOCC2)ccc1C=C(C#N)C#N
+,,,,,,,,,,,,,0.0,,,,CID2413037,CCN(c1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1)C(C)C
+,,,,,,,,,,,,,0.0,,,,CID2315948,Cc1ncsc1CCOC(=O)c1ccc(Cl)cc1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,CID97023,c1ccc(-c2nc3ccccc3nc2-c2ccccn2)nc1
+,,,,,0.0,,,,,,,,,,,,CID1345602,COc1ccccc1C(=O)NC(NC(=O)c1ccccc1OC)c1cccc([N+](=O)[O-])c1
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID663919,O=c1c2ccccc2nc(-c2ccco2)n1CCCn1ccnc1
+,,,,,,,,,,,,,0.0,0.0,,,CID751379,CC(C)Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1163202,COc1ccc(C2=C(Nc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID657449,Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CC(=O)NC1CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID3242827,COC(=O)c1cnn2c3c(c(C)nc12)CCCC3
+,0.0,,,,0.0,,,,,,0.0,,,,0.0,,CID649754,Nc1ncc(-c2ccccc2)n1CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID638276,O=C(/C=C/c1ccccc1)c1ccccc1O
+,,,,,,,,,,,,,,0.0,,,CID3089924,Nc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1
+,,,,,,,,,,,0.0,,,,,,CID900023,C/C(=C/c1oc2ccc(O)cc2c1[N+](=O)[O-])N(C)C
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID2999638,Cc1cc(NC(=O)CC2CCCC2)n(-c2nc3ccccc3[nH]2)n1
+,,,,,,,,,,,,,0.0,,,,CID1820000,Cc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C#N)CCC3)cc1
+0.0,0.0,,,,,,,0.0,,,,,,,,0.0,CID3243642,CCOC(=O)N1CCN(C(=O)c2nn(-c3cc(OC)cc(OC)c3)c(=O)c3ccccc23)CC1
+,,,,,,,,0.0,,,,,,,,,CID886372,COc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1OC
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID852246,Cc1csc2nc(=O)c3ccccc3n12
+0.0,,,,,,,,,,,,,,,,0.0,CID647431,Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C1CC1)C2
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID2023284,C=CCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1
+,0.0,,,,,,,,,,,,,,,0.0,CID2937099,COc1ccc(OC)c(C2C(C(=O)Nc3cccnc3)=C(C)NC3=C2C(=O)CCC3)c1
+,,,,,,,,,,,,0.0,,,,,CID2928994,CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1cc(Cl)ccc1Cl
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID5308685,COc1ccccc1CNC(=O)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID4372542,C/C(=N\NC(=O)c1cc(C)nc2ccccc12)c1ccco1
+,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID3238908,S=C1SCN(CCN2CCOCC2)CN1Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID980304,Nc1nnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1-c1ccccc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2931346,O=C(NCCN1CCN(C(=O)c2cccs2)CC1)C(=O)Nc1ccc(Br)cc1
+,0.0,,,,0.0,,0.0,,,,,,,,,0.0,CID621551,COc1ccc(C(c2c(O)ccc3ccccc23)N2CCOCC2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID781345,Nc1ccc(-n2nncc2-c2ccccc2)cc1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID659974,Cc1cc(C)c2c(N)c(C(=O)N3CCN(c4ncccn4)CC3)sc2n1
+,,,,,,,,,,,,,0.0,,,,CID1479381,CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2
+,0.0,,,,0.0,,,,,,,,,,,,CID3844097,CC(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
+,,,,,,,,,,,,,0.0,,,,CID1870462,COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)c1
+,,,,,0.0,,0.0,,,,,0.0,,,,0.0,CID3236030,CC1CCCC(C)N1CCNC(=O)CCn1nc(-c2ccccc2)ccc1=O
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID2119840,CC(C)CCn1c(=O)c2ccccc2n2c(COC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nnc12
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID5307609,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,0.0,,,,,,CID867004,CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)cc(C)c2)c1C
+,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,,,CID839995,O=C(CCc1ccccc1)Nc1ncn[nH]1
+,,,,,,,,,,0.0,,,,,,,CID2134323,COc1ccc(NC(=S)N/C(=N/CS(=O)(=O)c2ccccc2)c2ccccc2)cc1
+0.0,,,,,,,,,,,,,,0.0,,,CID5308554,CCOC(=O)N1CCN(C(=O)C2CCCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)C2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1302080,O=C(CCc1ccccc1)NC(=S)Nc1ccc2c(c1)C(=O)OC2
+,,,0.0,,0.0,,0.0,,,,,,,,,0.0,CID3238824,O=C(CSCCc1ccccn1)Nc1ccccn1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID662124,COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCN(C2CCCCC2)CC1
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID659901,CCCCNC(=O)Nc1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1
+,,,,,,,,,,,0.0,,,,,,CID3214093,C=CCN1C(=O)CN=C1Nc1ccccc1
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID664509,COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)c1
+,,,,,0.0,,,,,,,,,,,,CID2540858,COc1ccc2c(CC(=O)OCC(=O)NC(=O)c3cccn3C)coc2c1
+,,,,,,,,,0.0,,,0.0,,,,,CID653237,COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)cc2c1
+,,,,,0.0,,0.0,,0.0,,,,,,,,CID3237658,Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID5307977,CCOC(=O)c1cccc(NC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)c1
+0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,,,,CID2089189,O=C1c2ccccc2C(=O)N1CCCCn1c(=O)oc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4049580,COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc3nc(SC)sc3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4878712,Cc1ccc(NC(=O)CSc2ncc3ccccn23)cc1
+,,,,,,,,,,,,,,0.0,,,CID638439,COc1cc(/C=C/[N+](=O)[O-])ccc1O
+,,,,,,,,,,,,,,0.0,,,CID3171612,Cc1cccc(C)c1NC(=O)C1C2C=CC(C2)C1C(=O)NCc1ccccn1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,CID648409,Cn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O
+,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,0.0,CID652090,COc1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID5309439,CCOC(=O)N1CCC(NC(=O)Cn2nc(Cc3ccncc3)c3ccccc3c2=O)CC1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID5309175,CCc1ccccc1NC(=O)c1cc(C2CC2)on1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2056590,Cc1nn(Cc2ccc(C(=O)NC3CCCCC3)o2)c(C)c1Br
+,,,,,,,,,,,,,0.0,0.0,,,CID2434339,CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3238544,COCCCNC(=O)CCNS(=O)(=O)c1ccc(C)cc1
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID2961018,O=C(NCC12CC3CC(C1)CC(CNC(=O)N1CCCC1)(C3)C2)N1CCCC1
+,,,,,,,0.0,0.0,0.0,,,,,,0.0,,CID662035,O=C(NCCc1ccccc1)c1ccc(=O)oc1
+,,,,,0.0,,,,,,,,,,,,CID2887937,CCCN1C(=O)c2ccccc2NC1c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1036059,Cc1nc(-c2cccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)c2)cs1
+,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID649759,COc1ccc(-c2ccc(SCC(=O)N3CCCC3)nn2)cc1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID5090454,O=C(NCCc1ccc(Cl)cc1)C1CC(=O)N(C2CCCCC2)C1
+0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,,CID2525784,O=C(CSc1nncs1)NCc1ccc2c(c1)OCO2
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID3244908,CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID675426,O=C(CNC(=O)c1ccccc1F)NC1CC1
+,,,,,,,,,,,,0.0,,,,,CID657740,C/C(NCCCn1ccnc1)=C(\C#N)C(N)=O
+,,,,0.0,,,,,0.0,,0.0,,,,,0.0,CID3236365,O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2872371,COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1OC
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID3236243,Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,0.0,,,,,,,,,,,,CID306804,CC(=O)Oc1ccc(C2OC(=O)c3ccccc3N2C(C)=O)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID824462,CN(C)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1
+,,,,,0.0,,,,,,,,,0.0,,,CID2926136,Cc1ccc(OC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID883579,S=C(Nc1ccc(Cl)cc1Cl)N1CCOCC1
+,,,,0.0,,,,,,,0.0,,,,,,CID2969317,O=C(NC1(C(F)(F)F)NC(=O)N(C2CCCC2)C1=O)C1CC1
+,,,,,,,0.0,,0.0,0.0,,,,,,0.0,CID3239162,CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3240543,O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1
+,,,,,,,,,,,,,0.0,0.0,,,CID2908803,CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccc([N+](=O)[O-])c1
+,,,,0.0,,,,,,,,,0.0,,,,CID768206,CC1(C)CN=C(NC2CCCCC2)S1
+,,,,,,,,,,,0.0,,,,,,CID2263096,COc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID1523652,Cc1ccc(C)n1CCN1CCN(C(=O)c2ccco2)CC1
+,,0.0,,,0.0,0.0,,,,,,,,,0.0,0.0,CID3243980,Cc1ccc(C)c(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2)c1
+,,,,,,,,,,,0.0,,,,,,CID2110502,CN1CCN(C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID6827493,CO/N=C/C(=N\Nc1ccc(OC)cc1)C(=O)c1ccc(OC)cc1
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID1274397,O=C(O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1258102,COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID725621,Cc1cccc(NC(=O)CCOc2ccccc2)c1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID3238838,CCN(CC)CCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1
+,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,CID974204,Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1
+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID645307,c1ccc(-c2nc3ccccc3c3nncn23)cc1
+,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,0.0,,CID646833,CCOC(=O)Cc1nnc(NC(=O)Nc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID2130277,Cc1ccc2oc(=O)n(CCCOc3ccccc3C)c2c1
+,,,,0.0,,,,0.0,,,,,,,,,CID534279,CC1(C)CC(=O)C(=CNCCO)C(=O)C1
+,,,0.0,,,0.0,,,,,0.0,,,0.0,,,CID1252334,O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID645630,CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4OC)CC3)nnc12
+0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,,CID663915,CSc1nc(C)cc(OCNC(=O)c2cccs2)n1
+,,,,,,,,,,,,,,0.0,,,CID970437,CC1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,,0.0,,,,,,,,,CID3700536,CCCCCCCNC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2
+0.0,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,CID1262714,O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID1255740,COc1ccccc1CC(=O)Nc1cc(Cl)ccc1O
+,,,,,0.0,,,,,,,0.0,0.0,,,,CID2998236,CCN(CC)C(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID660621,CCNc1sc(C(=O)c2cccs2)c(N)c1C#N
+,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,CID2998705,CCOc1ccccc1C(=O)NC(C(=O)Nc1ccccc1N1CCOCC1)C(C)C
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID651955,O=C(NCC1CCCO1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,,,,0.0,,,,,,0.0,,,,,CID868062,COc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1
+,,,,,,,,,,,0.0,,,,,,CID1474582,COc1ccc(CN2CCn3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3C2=O)cc1
+0.0,,,,,,,,,,,0.0,,0.0,,,,CID3238857,CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1
+,,0.0,,,,,,,,,,,,,,,CID657793,CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=C(\C)N(CC)CC
+,,,,,,,,,,,,,0.0,,,,CID5964483,CC1=NC=C(CO)/C(=C/NNC(=O)c2cc(Br)ccc2O)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1248089,CC(=O)c1cccc(NC(=O)CSCc2ccc(Br)cc2)c1
+,,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID3242574,CC1Cc2nc(SCC(=O)Nc3ccc(F)cc3F)n(C)c(=O)c2S1
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,0.0,CID3245858,Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)N3CCc4ccccc43)ccc21
+,,,,,,,,0.0,,,0.0,,,,,,CID1262046,CCNS(=O)(=O)c1ccc(C(=O)Nc2ccccc2)cc1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3242941,CCN(CC)CCNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C
+,,,,,,,,,,,,,0.0,,,,CID901982,CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(C)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,,0.0,CID660879,Cc1cc(OCC(=O)Nn2cnnc2)ccc1Br
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID1362650,O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID909897,C/C(=N\NC(=O)c1ccncc1)c1cc2ccccc2oc1=O
+,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,CID2952987,CCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2999347,CC(NC(=O)c1ccco1)C(=O)Nc1nc(-c2ccccn2)cs1
+0.0,,,,,,,,,,,,,,,,,CID1279951,Nc1nnnn1/N=C/c1ccccc1OCc1ccc(Cl)cc1Cl
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID1252095,COc1ccc(NC(=O)c2ccccc2O)c(OC)c1
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID717930,O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)C1CC1
+,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,CID2206119,CCCNC(=O)c1ccccc1NC(=O)CN(c1ccccc1OCC)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID2856618,O=C(CCCO)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID5818021,COc1ccc(/C=C/C(=O)c2nc3ccccc3n2CC(=O)c2ccc(OC)cc2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID4524313,CCC(C)Sc1nc(C)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,,,,,,,,,,,,,,CID3245567,COc1cc(OC)c(NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1420420,Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N/N=C/c3ccco3)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3241906,COCCN(CCOC)c1ncnc2c1cnn2-c1ccc(Cl)cc1
+,0.0,,,,,,,,,,0.0,,,,0.0,0.0,CID671455,COc1ccc(S(=O)(=O)n2ccnc2)c2cccnc12
+,0.0,,,,,,0.0,0.0,,,,,,0.0,,,CID3243464,COc1cc(C(=O)NCCC(=O)NC2CCCCCCC2)cc(OC)c1OC
+,,,0.0,,0.0,,,,0.0,,,0.0,,,,,CID3238488,O=C(NCc1ccco1)c1cc(-c2ccc3c(c2)OCO3)on1
+,,,,,,,,,0.0,,,,,,,0.0,CID616408,COc1ccc(NC2CC(=O)N(C)C2=O)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3150699,CC(C)C(=O)Nc1ccc2c(c1)oc1ccccc12
+,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,CID2560274,CCOC(=O)CCCOC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1587414,CC1=C(C)/C(=N/OS(=O)(=O)c2ccc(C)cc2)C=CC1=O
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID3241481,Cc1nnc2ccc(N3CCC4(CC3)OCCO4)nn12
+,,0.0,,,0.0,,,,,,,,,,,,CID620536,COc1ccc(C2C3=C(N=C4SCC(=O)N42)c2ccccc2CC3)cc1
+,,,,,,0.0,,,,,,,,,,,CID2999909,CCCN(CCC)C(C(=O)Nc1cccc(OC)c1)c1ccccc1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID1088331,COc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID842580,Cc1scc(C(=O)N/N=C/c2ccc(Cl)s2)c1C
+,,,,,,,,,,,,,,0.0,,,CID1210295,O=C1CSC(NN=C2C3CC4CC(C3)CC2C4)=N1
+,,,,,,,,,,,,,0.0,,,,CID9550761,Cc1cccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2898384,CC12CCC(C(=O)N3CCCCCC3)(OC1=O)C2(C)C
+,,,,,,,,,,,0.0,,,,,,CID851519,c1ccc2c(CNc3ccc(CNc4ncn[nH]4)cc3)cccc2c1
+,,0.0,,,,,,,,,,,,0.0,,,CID2055736,COCCN1C=C(C(=O)OC)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C1
+,,,,,,,,,,,,,0.0,0.0,,,CID697376,Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID5341586,COc1ccccc1/C=C1/SC(=S)N(CNc2ccc(C)c(Cl)c2)C1=O
+,,,,,,,0.0,,,,,,,,,,CID3240511,CCCCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCOCC3)ccc2c1=O
+0.0,,,,,,,,0.0,,,0.0,,0.0,,,,CID802857,COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3237369,COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1
+,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1011052,COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)nc(OC)n1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID650321,c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1469535,CCOc1ccc(NC(=O)N2CCC(n3nnc4ccccc43)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3889772,COc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2476377,O=S(=O)(c1ccccc1)c1nc(NC2CC2)sc1Cl
+,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,CID2962523,CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC#N
+,,,,,,,,0.0,,,,,,,0.0,,CID3239591,O=C(CNS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2
+,,0.0,,,,,,,0.0,,,,0.0,,,,CID650510,CNc1nc(-c2ccc(Cl)cc2)cs1
+,,,,,,,,,,,,,0.0,,,,CID3216876,COCCN(Cc1cc2cc(C)ccc2nc1Cl)C(=O)Nc1ccccc1OC
+,0.0,,0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,CID200753,COc1ccc(NC(=O)N2CCCCC2)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID228684,Cc1ccc(C(=O)NC2CCCCC2)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID2997568,CN1C(=O)C(O)(c2sc(N)nc2-c2ccccc2)c2ccccc21
+0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,CID3236029,O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID124095,COc1ccc(/C=N/Nc2nncc3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2123569,Cc1cc(NC(=O)c2ccc(C)s2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID1233738,CCN1C(=O)/C(=C/c2cnn(CC)c2C)SC1=S
+,,,,,,,,,,,,0.0,,,,0.0,CID5308224,CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3c(c(C)nn3-c3ccccc3)c2C)CC1
+,,,,0.0,,,,,,0.0,,,,,,,CID1328093,O=C(NCc1ccco1)c1ccc(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2228401,CCOC(=O)CN1C(=O)CN(c2ccc(C)cc2)C1=O
+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID2855252,CCCSC1=C(C#N)C(c2cc(OC)ccc2OC)CC(=O)N1
+,,,,,,,,,,0.0,,,,,,,CID1444961,O=C(NCc1ccncc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID887181,O=C(Nc1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2
+0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID2087892,Cn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1488911,CCN(CC)c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccc(C)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID661625,Brc1cccc(/C=N/n2cnnc2)c1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID662228,N#CC(C(=O)OC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1
+0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID912364,COc1cccc(-c2nc(-c3ccccn3)no2)c1OC
+,,0.0,,,,,,,,0.0,,,,,,,CID890610,CC(C)CCOc1ccc(C(=O)NCCC(=O)N2CCOCC2)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID3242359,CCn1ncc(C2=NOC(C(=O)NCCc3ccccc3)C2)c1C
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID647433,CCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21
+,,,,,,,,,0.0,,,,,,,0.0,CID3244560,Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID953520,O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID865737,CCn1c(SCC(=O)Nc2ccccc2)nnc1C1CCCCC1
+,,0.0,,,,,0.0,,,,,,,,,,CID732397,O=C(NCCc1nc2ccccc2[nH]1)c1ccc(F)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2316733,O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,,,,CID1646757,CCCCN(CCCC)c1cn[nH]c(=O)c1Cl
+,,,,,,,,,,,0.0,,,,,,CID5739239,Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccc(Cl)cc3)C2c2cccc(Br)c2)no1
+,,,,,,,,0.0,,,,,,,,,CID1256172,O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C(C(F)(F)F)(C(F)(F)F)N1
+,0.0,,,,,0.0,,,,,,,,,,,CID6400923,c1ccc(-c2cnnc(N3CCCCC3)n2)cc1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID868608,CSc1ccccc1NC=C1C(=O)CC(C)(C)CC1=O
+,0.0,,,,0.0,0.0,,,,,,,,,,,CID2999584,O=C(NCC1CCCO1)c1cc(-c2ccco2)nc2ccccc12
+,0.0,,,,0.0,0.0,,,,,,,,,,,CID661608,CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OCCOC)CC1
+,,,0.0,0.0,,,,,,,,,,,,,CID874628,COC(=O)c1c(-c2cccc(C)c2)csc1N
+,,,,,,,,,,,,,0.0,,,,CID4232715,Cc1ccc(CNC(=O)CSc2ccsc2[N+](=O)[O-])cc1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID2849814,C=C(C)C(C)(C#CCN1CCCC1)OC(C)=O
+,,,,,,,,,,,,,0.0,,,,CID3399533,CCN(CC)c1ccc(/C=N/NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2947648,CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID2767984,C/C(=N\OC(=O)NC(C)C)c1sc(-c2ccccc2)nc1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3239982,Cc1c(C(=O)O)sc2nc3n(c(=O)c12)CCC(C)CC3
+,,,,,0.0,,,,,,,,,,,,CID2889841,CCc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1
+,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID3240507,CN(C(=O)CSc1nc(=O)c2c([nH]1)CCCC2)C1CCCCC1
+,,,,,,,,,,,,,,,,0.0,CID3238399,CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
+0.0,,,,,,,0.0,,0.0,,,0.0,,,,,CID5308601,O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccc2c(c1)OCO2
+,,0.0,,0.0,0.0,,,0.0,,,,,,,,,CID661211,O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCC1CCCO1
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID9551971,CCCCn1c(SC(C)C(N)=O)nc2cc(C(=O)OC)ccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID3850205,O=S(=O)(O/N=C1\CCCc2ccccc21)c1ccc(Cl)cc1
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+,,,,,,,,,,,,,0.0,,,,CID9550610,COCCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5346883,O=C1Nc2ccccc2/C1=C1/SC(=S)N(c2ccc(F)cc2)C1=O
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+,,,,,,,,,,,,,0.0,,,,CID1473716,Cc1cc(C)n2cc(-c3ccc(Cl)cc3)c(C(=O)O)c2n1
+,,,,,,,,,,,,,,0.0,,,CID16188916,COc1ccc(-c2[nH]ncc2CN2CCCO2)cc1F
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+,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,0.0,CID2576795,N#CCCN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)c1ccc2c(c1)OCCO2
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+,0.0,,,,,,,,,,,,,,,,CID3245705,Cc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12
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+,,,,,,,,,,,,,,0.0,,,CID1804392,CN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(C(=O)O)cc1
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+0.0,,,,0.0,,,0.0,,,,,,,,,,CID2669841,Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)n1
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+0.0,,,0.0,,,,,,,,,0.0,,,,,CID660968,CCCn1c(O)c(C(=O)Nc2ncccc2O)c(=O)c2c1CCCC2
+0.0,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,CID659862,COC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2920052,O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCOCC1
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+0.0,,0.0,,,,,,0.0,,,,0.0,,,,,CID2370375,O=C(OCC(=O)N1CCCC1)c1ccccc1OCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1044983,O=c1[nH]c(=O)n(Cc2ccccc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccco1)N2
+0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID645740,Cc1ccc(Cn2cccc(NC(=O)c3ccco3)c2=O)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID701126,COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCO)cc1
+,,,,,,,,,,,,,,,,0.0,CID2947923,O=C(NCC1CCCO1)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
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+0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,,CID4748,OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1
+,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,CID651063,COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1
+,,0.0,,,,,,,,,,,,,,,CID3236091,CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID3755487,O=C(CSc1nccn1-c1ccccc1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2784017,O=S(=O)(c1ccc(Cl)cc1)N1CC1c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID655165,COc1cccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)c1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID3243038,CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)CC1
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID677574,Nc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N
+,,,,,,,,0.0,,0.0,,,,,,,CID1581116,CCC(=O)NCCCOc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID12004844,O=C(Nn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O)c1cccnc1Cl
+,,0.0,,,,,,,,,,,,,,,CID5770894,COc1ccccc1NC(=O)C1=CC2=NC(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,,CID607825,Cc1cc(N2CC(C(=O)O)CC2=O)ccc1Br
+,,,,,,,,,,,0.0,,,0.0,,,CID1231176,CCOc1cc(/C=N/NC(=O)Cc2ccccc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID3238820,COc1cccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)c1
+0.0,,,0.0,,,,0.0,0.0,,,,,,,,,CID646947,CCc1ccc2[nH]c(=O)c(CN(CCO)C(=O)NCc3ccccc3)cc2c1
+0.0,,,,,,,,,,,,,,,0.0,,CID666848,CCc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2969861,COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2Cl)n1C
+,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,CID3148096,O=C(NCC1CCCO1)C1CCC(N2C(=O)c3ccccc3C2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID9586393,C/C(=N\NC1=NC(=O)C(CC(=O)Nc2ccccc2C)S1)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2426012,O=C(COC(=O)/C=C/c1ccccc1Cl)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID673854,COc1cc(C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC
+,,,0.0,,0.0,0.0,,,,,0.0,,,,,,CID2123296,c1ccc2c(CCNC3=NCCC3)c[nH]c2c1
+0.0,,0.0,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID651774,COCCNC(=O)C(c1ccccc1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID12006113,O=C(NCCCn1ccnc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID6625343,O=C(Nc1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2)NC1CC1
+,,,,,,,,,,,,,0.0,,,,CID542784,O=c1oc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID661958,CCNc1nc(N)c(C(=O)c2ccc(Cl)s2)s1
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID2999100,CC(CCc1ccccc1)NC(=O)CSc1nccc(=O)[nH]1
+,,,,,,,0.0,,,,,,,,0.0,,CID5389316,CCN1CCN(c2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID786550,Oc1ccccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1
+,,,,,,,,,,,,,0.0,,,,CID1262775,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)c(C)c1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID647331,COc1ccc(Cc2nnc(NC(=O)C3CCCO3)s2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID971706,O=C(CN1C(=O)CSc2ccccc21)N1CCc2ccccc21
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID645807,Cc1ccc(S(=O)(=O)C2(C(=O)O)CCCC2)cc1C
+,0.0,,,,,,,,,,,,,,,,CID3240876,Cc1ccc(C)c(NC(=O)CC(NCCCN2CCOCC2)C(=O)O)c1
+0.0,,,0.0,,,,,,,,,,0.0,,,,CID646403,COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID651970,CCCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID2997758,CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)CCCN1C(=O)c2ccccc2C1=O
+,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID2998314,C=CCn1c(=O)/c(=C\c2ccsc2)s/c1=C(/C#N)C(=O)NCCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2515073,Cc1cccc(NC(=O)COn2nnc3ccc(S(C)(=O)=O)cc32)c1
+,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID658100,CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID9551336,COC(=O)c1cc2ccsc2n1Cc1nc(-c2cccc(Cl)c2)oc1C
+,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,CID662915,COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2N)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID3103357,COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccccn1
+,,,,,0.0,,,,,,,,0.0,,,,CID2960169,COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)CCCC2)cc1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID663287,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc2c(c1)OCO2
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID5308119,CC1=C(C(=O)Nc2ccccc2)C(c2ccccn2)N2NC(CCCO)=NC2=N1
+0.0,0.0,,0.0,,,,,,,,0.0,,,,,,CID650941,O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccnc1
+,,,,,,,,,,,,,,,,0.0,CID3244762,CC1=C(C(=O)OC(C)C)C(c2cccc(F)c2)N2C(=O)C(C)SC2=N1
+,,,,,,,,,,,0.0,,,,,,CID1090604,CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID663237,CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4OC)n3N)ccc21
+,,,,,,,,,0.0,,0.0,,,,,,CID767062,CC(C)CNc1c(N)c(=O)oc2ccccc12
+0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID2388007,Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3c(C)noc3C)C2=O)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID2107666,COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3281351,COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C(C)(C)C)C2
+,,,,,,,,0.0,,0.0,0.0,0.0,,,,0.0,CID3240966,Cc1ccc(NC(=O)Cn2c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c3ccccc32)cc1
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,CID660523,CCOC(=O)c1cc(-c2ccc(N)cc2)sc1N
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID3245772,O=C(NCc1ccco1)c1cc(-c2cccnc2)nc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID5389690,C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(Cc2ccccc2)C1=O
+0.0,,,,,,,,,,,,,,,,,CID5309250,Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc43)cc12
+,,,,,,,,,,,,,0.0,,,,CID899617,Cc1nc(=O)c(Cc2ccccc2Cl)c(C)[nH]1
+,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,CID2255208,CCO/C=C1\C(=O)N(c2ccccc2)C(=O)c2ccccc21
+0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID655403,COc1ccc(N2CCN(C(=O)CSc3nnc(Cn4nnc5ccccc54)n3C)CC2)cc1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID1740388,CC1(C)CC(=O)C(=CNCCCN2CCCC2=O)C(=O)C1
+,,,,,,,,,,,0.0,,0.0,,,,CID1151569,CCc1nnc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)s1
+0.0,,0.0,,,,,,,,,,,,,,,CID2952511,O=C(C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,CID652403,COc1ccc2[nH]c(=O)c(CN(Cc3ccc4c(c3)OCO4)C(C)=O)cc2c1
+0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,CID652715,CCCC(=O)Nc1ccc(NC(=O)c2cccc(OC)c2)nc1
+,,,0.0,,0.0,,,0.0,,,,,,,,0.0,CID2087886,COc1ccc2c(C)cc(SCC(=O)N3CCOCC3)nc2c1
+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID3243697,COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1479579,Clc1ccc(SCc2cc(-c3ccccc3)no2)cc1
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID2566986,Cc1cc(C)n2nc(SCc3ncc(-c4ccccc4)o3)nc2n1
+,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,,CID650365,COC(=O)CC1=C(C(=O)OC)C(c2cccs2)C(C#N)=C(N)O1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID1049766,O=C(Cc1ccccc1)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID826924,CC(C)(C)c1cc(C(=O)Nc2ccccc2)ccn1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3240476,COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID831797,Cc1ccsc1C(=O)N/N=C/c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,0.0,,,,,,,CID3212967,CC1Cc2ccccc2N1C(=O)CSc1nnnn1C(C)C
+,,,,,,,,,,,,,0.0,,,,CID2970870,O=C(Nc1nnc(C2CC2)s1)C1CCCO1
+0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,CID1093368,COc1ccc(S(=O)(=O)N2CCC(C(=O)NC3CC3)CC2)cc1Cl
+,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID2222257,CCC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccc1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1246348,O=C(c1ccc(Br)s1)N1CCN(c2ncccn2)CC1
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID773039,CC1(C)CC(=O)C(=CNc2ccc3c(c2)OCO3)C(=O)C1
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID751719,COc1cc(C)nc(Oc2ccc(/C=N/O)cc2)n1
+,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,CID1332047,C/C(=C1/SC(=S)N(CCC(=O)O)C1=O)c1ccc(O)cc1
+,,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID799774,COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID5345273,COc1ccc(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2CCCn2ccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6062577,Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1
+,,,0.0,,,,,,,,,,,,,,CID5307135,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCc1cccs1)c1ccc(C(C)C)cc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID347743,O=C(NCNC(=O)c1ccccc1)c1ccccc1
+0.0,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,CID975586,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(OC(C)C)cc1
+,,,,,,,,,,,,,,,,0.0,CID3244411,CCCc1[nH]nc2c1C(c1cccc(OC(=O)c3ccco3)c1)C(C#N)=C(N)O2
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,CID656178,CCc1nnc(NC(=O)CSc2nnc(COc3ccccc3C)o2)s1
+,,,,,,,,,,,0.0,,,,,,CID1473656,COC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)cc1Sc1ccccn1
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID645749,COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCN(C(=O)c2ccco2)CC1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,CID2124981,O=C(CCCSc1nc2ccccc2s1)Nc1nccs1
+0.0,,,,,,,,,,,,,,,,,CID5307569,O=C(Nc1ccc(Br)cc1F)C1CCN(c2nnc(-n3cccc3)s2)CC1
+0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0,,CID2947864,CC1=Nc2ccccc2N=C(NC(=O)CSc2nnnn2-c2ccccc2)C1c1ccccc1
+0.0,,,,,0.0,0.0,,,,,,,,,,,CID2987845,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC(C)O1
+,,,,,0.0,,,,,,,,,,,,CID768487,CCCc1c(C)[nH]c2c(OC)cccc2c1=O
+,,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID2402161,Cc1c(C(=O)O)oc2c1ccc1ccccc12
+,,,,,,,,0.0,,,,,,,,,CID1155311,COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)o1
+,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID652242,Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCC3CCCO3)cc1-2
+,,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,,CID649046,Cc1ccc(O)c(CNc2ccccn2)c1
+,,,,,,,,,,,,,,,0.0,,CID5308032,O=C(O)C(c1ccccc1)N1Cc2ccccc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID2891839,O=C(NC(Nc1ccccc1)C(=O)c1cccs1)c1ccccc1
+0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,CID653778,COc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2cccnc21
+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID2941798,COc1ccc(C2C(C#N)=C(N)Oc3cc4c(cc32)OCO4)cc1
+,,,,,,,0.0,,,,,,,,,,CID6398912,Cc1nnc(C)n1/N=C/C=C/c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID2169782,O=C(Nc1ccccc1Cl)c1c(F)c(F)c(F)c(F)c1F
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID648804,Cc1ccc(S(=O)(=O)NC(=O)NCc2ccccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3921370,O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2cccc([N+](=O)[O-])c2)N1
+,,,,,,,,,,,0.0,,,0.0,,0.0,CID2827468,CN1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID3236931,Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1067657,CCSc1nc(-c2ccc(OC)cc2)cc(-c2ccc(OC)cc2)c1C#N
+,,,,0.0,,,,,,,,,,,,,CID2866174,CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(OC)cc2OC)C(C#N)=C(N)O1
+,,,,,,,,0.0,,,,,0.0,,,,CID703314,C=CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
+,,,,,,,,,,,,,0.0,,,,CID2549410,CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1c(Cl)ccc(C)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID831954,Cc1nn(C)cc1C(=O)Nc1ccccc1Br
+,,,,,0.0,,,,,,,,,,,,CID1205511,COc1cccc(/C=C2/SC(=S)N(CC(=O)O)C2=O)c1O
+,,,,,,,,,,,,,,0.0,,,CID2527785,Cc1noc(C)c1COc1ccc(C(=O)NCCc2ccccn2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID647689,Cc1c(C(=O)Nc2ccc(N3CCOCC3)cc2)oc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID5389125,CC1=CC(N2CCCC2)=N/C(=C2/C=CC=CC2=O)N1
+0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,,CID663010,O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1
+,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,CID2955543,Cc1ccc(CNC(=O)C2CC(=O)OC23CCCC3)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID1941171,Cc1cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)o2)no1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID5309121,CC1CCC(NC(=O)Cn2ncc3ccccc32)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1226381,CCCc1cc(C(=O)N/N=C/c2ccc(CC)s2)c2ccccc2n1
+,,,,,,,,,0.0,,,0.0,,,,,CID2961595,O=C(CNC(=O)c1ccco1)NCC(=O)OCc1cccc(C(=O)Oc2ccccc2)c1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID3242484,O=C(NCc1ccco1)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID16188047,CC(C)c1onc(C(=O)Nc2cccnc2Cl)c1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID1190250,COc1cc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2533027,Cc1csc(SCC(=O)NC2CCCCC2)n1
+,,,,,,,,,,,0.0,,,,,,CID3211570,CCCCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccc(OC)cc1
+,0.0,,,,,0.0,0.0,,,,,,,0.0,,0.0,CID651842,COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1
+,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,CID645786,O=C(Nc1ccccc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,CID3237799,COc1cccc2sc(Nc3nnc(-c4cccs4)o3)nc12
+,,,,,,,,,,,0.0,,,,,,CID1485000,CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1
+,,,,,,,,,,,0.0,,,,,,CID2477828,O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCc1ccc2c(c1)OCO2
+0.0,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,0.0,CID687454,CC(=O)Nc1nc2ccc(-c3nc4ccccc4o3)cc2s1
+,,,,,,,,,,,0.0,,,,,,CID1350585,Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID647004,CCOc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1
+,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,CID2958370,Cc1ccc(NC(=O)CSCC(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID644464,COc1ccc2[nH]c3ccc(OC)cc3c2c1
+,,,,,,,,,0.0,,0.0,,,,,,CID753642,CC(C)c1ccc(O)c(NC(=O)c2cccnc2)c1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID700610,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)CO
+,0.0,,,,,,,,,,,,,,,0.0,CID2215784,c1cncc(Nc2nc(-c3cccnc3)cs2)c1
+0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,,0.0,CID646217,O=C(CCCOc1ccc(Cl)cc1)Nc1nncs1
+,0.0,,,0.0,,,,,,0.0,,,,0.0,,,CID666689,CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nccc(C)n2)CC1
+,,,,,,,0.0,,,,,,,,,,CID3245384,CCOC1(OCC)N=C(N)C2(C#N)C(c3cccc(OC)c3OC)C12C#N
+,,,,,,,,,,0.0,,,,,,,CID992129,O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID2215934,Cc1cccc(C)c1OCCCCn1cnc2ccccc2c1=O
+,,,0.0,0.0,0.0,,,,,,,,,0.0,,0.0,CID876891,CC(=O)Nc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
+,,,,,,,1.0,,,,,,,,,,CID5351365,O=C1C(=C2C=Nc3ccccc3N2)C(=O)c2ccccc21
+,,,,,,,,0.0,,,0.0,,,,,,CID2147838,O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID3240703,O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID2998993,c1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2
+,,,,,,,,,0.0,0.0,,,,,,,CID1236431,Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID3240393,COc1ccc(C2C(C(=O)N3CCN(c4ccccn4)CC3)CC(=O)N2c2ccc(OC)cc2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1314305,COC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
+,,,,,,,,,,,0.0,,,,,,CID5308403,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)o2)cc1
+,,,,,,,0.0,,,,,0.0,0.0,0.0,,,CID651615,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N
+0.0,,,,,,0.0,,1.0,,,,,,,,0.0,CID1295289,O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1cncc(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID252022,COC(=O)C1(C)CCc2cc(OC)ccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID1977363,O=C(Nc1c(Cl)ccc2nsnc12)c1cccnc1
+,,,,,,,,0.0,,,,,,,,,CID2255012,CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/NC2CCCCC2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID1011742,CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccccc2Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID2444364,CCOc1ccc(CN(C)C(=S)NCCc2ccccc2)cc1OC
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID2866426,O=C1C=C(NCC2CCCO2)CC(c2ccccc2)C1
+,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,CID706004,CCOC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O
+0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,,,CID667295,O=C(c1ccncc1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID2012798,Cc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID1839930,CCOC(=O)NC(Nc1cc(C)ccn1)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID883460,CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID731639,COc1ccc(C)cc1NC(=O)c1cc2ccccc2o1
+,,,0.0,,,,,,,,,,,,,,CID2226469,CCCn1c(SCc2nc(-c3cccs3)no2)nnc1-c1ccncc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1041736,Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCOCC4)cc3C2=O)cc1C
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID2948558,O=C1OCCC1Sc1nc2ccccc2o1
+,,,0.0,,,,,,,,,0.0,,,,,CID2962189,Cn1ncc(C#N)c1NC(=O)C1CC(c2c(F)cccc2Cl)=NO1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3239928,CCN1CCCC1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2C)o1
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID2108615,COC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)o1
+,,,,,,,,,0.0,,,,0.0,,,,CID1147746,Cc1cccc(N2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1C
+,,,,,,,,,,,,,,,0.0,0.0,CID2998536,Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(CCCn3ccnc3)c2C)cc1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2204902,CCCNC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1
+0.0,,,,,,,0.0,,,,,,0.0,0.0,,,CID1253690,O=C(c1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)o1
+,,,0.0,,,,,,0.0,,,0.0,,0.0,,0.0,CID664892,Cc1cc(SCC(=O)N2CCCCC2)nc(C)n1
+,,0.0,,0.0,,,0.0,,0.0,,0.0,,,,0.0,0.0,CID646032,O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)OC1CCCCC1
+,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,0.0,,0.0,CID2999645,CCC(c1nnc(SCC(=O)Nc2nnc(-c3ccccc3)o2)o1)N(C)C
+,,,,,,,,,,,,,,0.0,,,CID1142876,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID645678,CCNc1oc(COc2ccccc2F)nc1C#N
+,,,,,,,,,,0.0,,,,,,,CID835664,O=C(CCC1CCCC1)NC1CCCCC1
+0.0,0.0,,,,0.0,,0.0,,,,,0.0,,,,,CID3235651,Cc1cccc(N2CCN(C(=O)CCn3c(=O)[nH]c4ccccc4c3=O)CC2)c1C
+,0.0,,,,,,,,,,,,,,,,CID2961703,CCOc1cc(C(=O)NCC(C)CN(C)C)cc(OCC)c1OCC
+,,,,,,,,,,,,,0.0,,,,CID831664,COC(=O)c1sccc1NC(=O)COc1ccccc1Cl
+0.0,,,,,0.0,0.0,,0.0,,,,,,,,0.0,CID3236213,COc1ccc(C2Nc3ccccc3C(=O)N2O)cc1OC
+,,,,,,0.0,,,0.0,,,,,,,,CID652268,Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCC(C)CC3)cc2c1
+,0.0,,,,,,,,,,,,,,,,CID5389286,N#CC(C(=O)NC1CC1)c1nc2ccccc2nc1N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,0.0,,,,,,0.0,,,CID829942,CC(C)CNc1oc(-c2ccco2)nc1C#N
+,,,,,0.0,,,,,,,,,0.0,,,CID1225528,O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccc([N+](=O)[O-])cc1
+,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,CID2079985,COc1ccc2nc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1
+,,,,,,,0.0,,,,,,,,,,CID2876004,CCN(CC)CCN1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
+,,,,,,,,,,,,,,0.0,,,CID753163,O=C1OCC=C1NNC(=O)c1cccnc1
+,,,0.0,,,0.0,,0.0,0.0,,,,,,,,CID652125,CC1(C)C(C(=O)NCc2ccco2)C1(C)C
+0.0,,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID663014,C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccco1
+0.0,,,,,,,,,,,,,,,,0.0,CID3237734,CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4cccc(OC)c4)cn23)CC1
+0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID876196,Cc1ccc(-c2ccc(/C=N/n3cnnc3)o2)cc1Cl
+,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID3653329,CC(C)n1c(SCc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID1378307,CCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1
+,,,,,,,,,,,,,0.0,,,,CID1033972,CCOc1ccccc1NC1=C(Cl)C(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID3152505,Nc1n[nH]c2c1C1(CCCC1)Cc1ccccc1-2
+,,,,,,,,,,0.0,,,,,,,CID1897631,CCCCc1nc(NCCN)c(C#N)c2c1CSC(C)(C)C2
+,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,,CID2364141,Cc1ccnc2nc(C(=O)OCCOc3ccccc3)nn12
+,,,,,0.0,,0.0,,,,,,,,,,CID5308789,COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2)cc1
+,,,,,0.0,,,,0.0,,,0.0,0.0,,0.0,,CID650172,COc1ccc(-c2sccc2C(C)C(=O)O)cc1
+0.0,,,0.0,,,0.0,,,,,0.0,,,,,,CID666751,COc1ccc2nc(NCc3ccccc3)[nH]c2c1
+0.0,0.0,,,,,,,,,,,,,,,,CID650358,O=C(CSc1nc2ccccc2o1)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID645067,CNC(=O)CSc1nnnn1-c1ccc(C)cc1C
+,,,,,,,,,,,,,,0.0,,,CID1136576,CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(C)cc3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1483408,O=S(=O)(c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccc(Cl)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID663285,CC(C)(C)C1=Nn2c(nnc2-c2ccccc2F)SC1
+0.0,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,0.0,CID2888583,Cc1cc(=O)n2[nH]c(-c3ccccc3Cl)cc2n1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2392716,O=C(CSc1ncccn1)c1ccccc1Br
+0.0,,0.0,,,,,,,,,,,,,,,CID645842,CCc1ccc2[nH]c(=O)c(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)cc2c1
+,,,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,CID2161667,N#Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)c1
+,,,,,,,,,,,0.0,,,,,,CID834134,CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccccc2)n1
+,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,0.0,,CID3238942,Cc1ccc(C)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1
+,,,,,0.0,,,,,,,,,,,,CID11958496,Cc1ccc(C)c(SCc2noc(C(=O)NCC3CCCO3)c2C(=O)O)c1
+,,,,,,,,0.0,,,,,,,,,CID5911553,COc1cc2cc(/C=C/C(=O)c3ccco3)c(Cl)nc2cc1OC
+,,,,,0.0,,,,,,0.0,,,,,,CID1484858,CCOC(=O)c1c2ccc(OCC(=O)N/N=C/c3ccc(C)cc3)cc2n2ccccc12
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID652929,COCCNC(=O)C(c1ccncc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(OC)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307243,O=C1c2ccccc2C(Nc2ccc3c(c2)OCCO3)N1Cc1ccco1
+,,0.0,0.0,,0.0,,,,0.0,,,,,,,,CID2867567,O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1
+,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID654780,CCCC(=O)Nc1cc(C)c(NC(=O)Cc2ccccc2)cn1
+,,,,,0.0,,,,,,,,,,,,CID5939037,Cc1ccc(/C=C/C(=O)c2c(C)nc3ccccn23)cc1
+,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,,,CID1121076,Cc1ccc(OS(=O)Nc2cccc3nccnc23)cc1
+,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,,CID653531,COc1ccc(OC)c(S(=O)(=O)N2CCc3ccccc32)c1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID2965813,Cc1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1Cl
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID2342150,O=C1Nc2cc3c(cc2Sc2ccccc21)OCCO3
+0.0,,,0.0,,,,0.0,,,,0.0,,,,,0.0,CID649790,Cc1ccc(NC(=O)N2CCCC2C(=O)NCCc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4366332,CC1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1
+,0.0,0.0,,,,,,,0.0,,,0.0,,,,,CID3235773,CC(C)NC(=O)c1cc(-c2ccco2)on1
+,,,,,0.0,,,,,,0.0,,,,,,CID1018417,COc1cccc(C(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)c1
+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID649135,COc1ccc(-c2nnn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1079722,Oc1ccc(Cl)cc1CNn1cnnc1
+,,,,,,,,,,,,,0.0,,,,CID825255,COc1ccc(-n2c(C)cc(C)c(C(C)=O)c2=S)cc1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID698667,CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1
+,,,0.0,,,,,,,0.0,,,,0.0,,,CID2110332,CCOc1ccc(C(C)=O)cc1COc1ccc(-n2cnnn2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID1530470,COc1ccc(OCC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID2847880,CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(OC)c1OC
+,,,,,,,,,,,,,,,0.0,,CID2832711,CC1C=CC(C)C(C(=O)O)C1C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID2220703,Cc1ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3cccnc3)nc2c1C
+,,,,,,,,,0.0,,,,,,,,CID2888021,COc1cccc(OCc2cc(C3Nc4ccccc4C(=O)N3Cc3ccco3)ccc2OC)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID789173,O=C(NCc1ccccc1)c1ccc(Cl)cc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID3817563,CC(C)C(=O)Nc1nc(=O)c2ncn(C3CC(O)C(CO)O3)c2[nH]1
+0.0,0.0,,,,,0.0,,,,,,,,,,0.0,CID1404393,Cc1n[nH]c(SCC(=O)NCc2ccc(Cl)cc2)nc1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID1871652,CCCCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C
+,,,,,0.0,,,,,,,,,,,,CID9550899,O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCOCC2)n1-c1ccccc1F
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID3239280,CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1
+,,,,,,,,,0.0,0.0,,,,,,,CID788761,COc1ccc(NC(=O)CSc2ccc(C)cc2)cc1
+,0.0,,,0.0,0.0,,,,,,,,,,,0.0,CID3240096,Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)n1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID71188,CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2389423,O=C(COC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)Nc1ncc(Cl)cc1Cl
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID5308103,CC(=O)c1ccc(N2CCN(C(=O)c3cc4c(-c5ccccc5F)nn(C)c4s3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1862431,O=C(CSc1ncccn1)N1CCc2ccccc2C1
+,,,,,,,,0.0,0.0,,,,,,,,CID847245,CC(C)CNC(=O)c1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,,,,,,,,,0.0,CID2998541,O=S(=O)(NCC1CCCO1)c1cccc(C(F)(F)F)c1
+0.0,0.0,,,,,,,,,,,,,,,,CID3242961,CCN1CCN(c2ncc(C(=O)Nc3cc(Cl)c(OC)cc3OC)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1767445,CCN1C(=O)/C(=C/c2cn(C)nc2C)SC1=S
+,,,,,0.0,,,,,,,,,,,,CID662799,O=C1C2ON(c3ccccc3)C(c3ccncc3)C2C(=O)N1c1ccccc1
+0.0,,,0.0,,,,,,,0.0,,,,,,0.0,CID86654,Nc1ccc(Cl)cc1/C(=N/O)c1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,,CID661483,COc1ccc(OC)c(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c1
+,,,,,,,,,,,0.0,,,,,,CID3117448,CC1=NC(=O)C(/N=N/c2ccccc2C)N1c1ccccc1
+,,,,,,0.0,,,,0.0,,,,,,,CID5309167,O=C(CC1Oc2ccccc2NC1=O)NC1CC1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID2969415,CC(NC(=O)C1CC2CCCC(C1)C2=O)c1ccccc1
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+,0.0,,,,,,,,0.0,,,,0.0,,,0.0,CID2433268,O=C(COC(=O)c1ccc2c(c1)OCO2)NCc1ccc(Cl)cc1
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+,,,,,,,,,,,,,0.0,,,,CID797519,Cc1ccccc1C(=O)NC(=S)NCCN1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID2766938,COc1ccc(-c2cn[nH]c2N)cc1
+,,,,,,,,,,,0.0,,,,,,CID4296362,CCOC(=O)COc1cccc2c(=O)n(CC(=O)N3CCN(C(=O)OCC)CC3)ccc12
+,0.0,,,,,,,,,0.0,0.0,0.0,,,,,CID655285,Cn1c(SCC(=O)c2ccccc2)nc2cccnc21
+,,,,,0.0,,,,,,,,0.0,,,,CID506610,O=C1c2ccccc2C(=O)c2c(NCc3cccnc3)cccc21
+,,,,,,,,,,,0.0,,0.0,,,,CID703785,CCOC(=O)c1cnn(-c2ccc(C)cc2)c1N
+,,,0.0,,,,,0.0,,0.0,,,,,,,CID2090740,O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1ccco1
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID3238210,O=C(NCCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1
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+,,0.0,,,0.0,,,,,0.0,,,,,,,CID2997774,O=C1CCCCCN1Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccn1
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID2106553,O=C(COc1nnnc2ccccc12)N1CCCc2ccccc21
+,,,,,0.0,,,,0.0,,,,,,,,CID950806,CCOC(=O)Cn1c(C)cc(=O)c2ccccc21
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID653228,Clc1ccccc1Cn1nnc2c(NCCN3CCOCC3)ncnc21
+,,,,,,0.0,0.0,,,,,,,,,,CID5389399,CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1cc(OC)ccc1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID1091554,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
+0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,CID664145,N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCC(C(N)=O)CC1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID2029348,S=c1[nH]nc(-c2ccc3ccccc3n2)o1
+,,,,,,,,,,,0.0,,,,,,CID3437911,Cc1nnc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID307332,COc1cc([N+](=O)[O-])ccc1NC(=O)Cc1ccccc1
+,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,CID2083600,Cc1ccccc1CN(c1ccc(C(N)=O)cc1)S(C)(=O)=O
+,,,0.0,,,,,,,0.0,,,,,,,CID2997966,CCn1c2ccccc2c2nnc(SCC(=O)N3CC(C)OC(C)C3)nc21
+,,,,,,,,,,,,,0.0,,,,CID2486717,c1ccc2sc(Sc3ncnc4sccc34)nc2c1
+0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID2383570,O=C1c2ccccc2C(=O)N1CCCCSc1nnnn1-c1ccccc1
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID649876,COC(=O)c1ccccc1NC(=O)CN1CCN(C23CC4CC(CC(C4)C2)C3)CC1
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID2238286,COC(=O)c1cccc(NC(=O)CSc2ncn[nH]2)c1
+,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,CID2560874,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSC3CCCC3)CC2)c(C)c1
+,,,,,,,0.0,,,0.0,,,,,,,CID665208,CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCN(C(=O)c4ccco4)CC3)c12
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID5389426,C=CCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN2CCOCC2)c1
+,,,,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,CID532276,COc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3829191,CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)nc3C)cc12
+,,,,,,,,0.0,,,,,,,,,CID1472812,COC(=O)Cc1cc(=O)n2[nH]c(C)cc2n1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID978132,CCc1nnc(NC(=O)c2cccc(NC(=O)C(C)C)c2)s1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID659851,Cc1c(C(O)CN2CCC(C(N)=O)CC2)c2ccccc2n1C
+,,0.0,,,,,,,,,,0.0,,,,,CID1148081,COc1cccc(C(=O)N2CCN(C(=O)c3cccs3)CC2)c1OC
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID63994,O=C1CCCN1CC(CN1CCOCC1)Sc1nc2ccccc2c(=O)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID5443072,C/C(NN)=C1\C(=O)N=c2ccc(Br)cc2=C1c1ccccc1
+0.0,,,,,0.0,,,,,,,,,,,,CID5309080,Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12
+,,,,,,,,0.0,,,,,,,0.0,,CID1246434,O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)s1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID5308748,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccc(F)cc1
+,,,,,,0.0,,,,,,,,,,,CID5310685,Cc1ccccc1N1C(=O)NC(=O)/C(=C/Nc2ccc3c(c2)OCO3)C1=O
+,,,,,0.0,,,,,,,,,,,,CID3763859,Cc1nn(CCOc2ccccc2)c(=O)n1-c1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID1166653,COc1ccc(C(=O)NNC(=O)CCn2nnc(-c3ccc(C)cc3)n2)cc1OC
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID654541,COCCSc1nnc(NC(=O)COC)s1
+,,,,,,,,,,,0.0,,,,,,CID226556,CCOC(=O)c1nc(N)sc1C(=O)OCC
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,CID1292671,Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1-c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID1017703,O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-n2cnnc2)ccc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID1221632,CC1CCN(C(=O)c2cc3ccccc3c(=O)o2)CC1
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID838554,O=C(O)c1ccc(CSc2ncn[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2419924,Cc1ccc(NC(=S)N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID1471242,Cc1nccc(-c2ccc([N+](=O)[O-])c(CS(=O)(=O)c3ccc(Cl)cc3)c2)n1
+,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,CID665912,Cc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)s1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID3239872,Cc1nn(Cc2ccc(C(=O)N3c4ccc(F)cc4CCC3C)o2)c(C)c1Br
+,,,,,0.0,,,,,,,,,,,,CID1912665,CCCCc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)s1
+,,,,,,,0.0,,,0.0,,,,,,,CID5307867,Cc1nn(C)c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1
+,,,,,0.0,,,,,,,0.0,,,,,CID3241198,O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCOCC1
+,,0.0,,0.0,,,,0.0,,,,,,,,0.0,CID654360,Cc1cccc(NC(=O)C2CCCN2C(=O)OCC(C)C)c1C
+,,,,,,,,,,,,,0.0,,,,CID902687,COc1ccccc1OC(=O)c1cc(Cl)nc2ccccc12
+,0.0,,,,,,,0.0,,,,,,0.0,,,CID733521,CC(=O)c1cc(C)ccc1OC(=O)c1cccnc1
+0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID650866,c1coc(Cn2c(-c3ccco3)nc3ccccc32)c1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID649562,CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID1034215,Cc1cccc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)n1
+,0.0,,,0.0,,0.0,,,,,0.0,,,,,,CID2112927,Cc1ccc(Nc2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID3236011,CS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
+,,,,,,,,,,,,,,0.0,,,CID3508367,COc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2ccco2)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID658568,CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CC(C)(C)OC2
+,,,,,,,,,,,,,,0.0,,,CID1075653,CCN(CC)C(=O)c1sc2[nH]c(=S)n(-c3ccccc3)c(=O)c2c1C
+,,0.0,,,,,,,,,,0.0,,,,,CID829946,N#Cc1nc(Cc2ccccc2)oc1NCc1ccccc1Cl
+,,,,,,,0.0,,0.0,,,,,,,,CID5309044,CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4ccc(OC)cc4OC)CC(=O)N3C2)cc1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID977368,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID2982730,CCSc1ccccc1C(=O)NC1=NC(=O)CC2C(=O)NCCN12
+,,,,,,,,,0.0,,,,,,,0.0,CID3245602,O=C(NC1CC1)c1ccc(COc2ccc(F)cc2)o1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID3237782,COCCN1Cc2cccc(C(=O)NCc3ccccc3OC)c2C1=O
+,,,,,0.0,,,,,,,,,,,,CID11842297,CCC(C)c1ccc(Nc2ncccc2C#N)cc1
+,,,,,,,,,,,0.0,,,,,,CID1469444,O=S(=O)(c1ccc(Cl)cc1)N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1
+,,,,,,,,,,,,,,0.0,,,CID2769284,O=C(O)c1ccccc1C(=O)NNc1cccc(Cl)n1
+,,,,,,,0.0,,,,,,,,,,CID2941664,O=C(O)c1cc(NC(=O)C2CCCO2)cc(NC(=O)C2CCCO2)c1
+0.0,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID5307866,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(OC)c2)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID2997982,Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)cc1
+,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,CID1746595,C=CCSc1nc(=O)c(-c2ccccc2NC(C)=O)n[nH]1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID2126151,Cc1nnc(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)n1Cc1ccccc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID647682,Cc1ccc(C(C(=O)NCc2ccc(F)cc2)N(C(=O)c2csnn2)C2CC2)o1
+,,,,,,,,,,,,,0.0,,,,CID839240,N#C/C(=C/c1ccc(N2CCOCC2)o1)C(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID16187229,CC(C)CCN1CCN(Cc2ccsc2)CC1CCO
+,,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID2174924,CCCCOc1ccc(NC2=NC3(CCCC3)N=C(N)N2)cc1
+0.0,,,0.0,,,,,,0.0,,0.0,,,,,,CID2315607,C=CCN1CC(=O)C(c2ccccc2)=C1N
+,0.0,,0.0,,,,,,,0.0,,,0.0,,,,CID2305032,Cc1n[nH]c(C)c1-c1nc2ccccc2[nH]1
+,,,,,,,,,,0.0,,,,,,,CID1655911,COC(=O)c1ccccc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1
+,,0.0,,,0.0,,,,,,,0.0,,,0.0,,CID1893572,COc1ccc(C(=O)/C=C/Nc2cc(C)on2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID3228602,COCCNC(=O)C(OC(=O)c1cc2oc(C)cc2n1C)C(C)C
+,,,,,,,,,0.0,,,,,,,,CID2877975,O=C1C=C(Nc2ccc(O)cc2)CC(c2ccco2)C1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID665688,Cc1cccc(Nc2ncc3c(n2)CC(C)CC3=O)c1
+,,,,,,,,,,,,,,,,0.0,CID5310247,COc1cc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc(OC)c1OC
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+,,,,0.0,,,,,,0.0,,,,,,,CID1204651,Cc1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1S(=O)(=O)N1CCOCC1
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+,,,,,,,,,,,,0.0,,,,,CID3238827,COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(c4cccc(C)c4C)CC3)c(=O)c2cc1OC
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+,,0.0,,,,0.0,,,,,,,,,,0.0,CID2885748,CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CC(C(=O)O)S3
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+,,,,,,,,,,,0.0,,,,,,CID2946623,CCOC(=O)C(Sc1cc(C)nc(N)n1)C(C)=O
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2862845,Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCO1
+,,,0.0,,,,,,0.0,,,0.0,,0.0,,,CID238491,Cc1nc2ccccc2nc1N1CCCCC1
+,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,CID2999433,CC(C)CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O
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+,,0.0,0.0,,,,,,,,,,,,,0.0,CID717275,CCOc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cc1
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+,,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,CID3238439,O=C(NCc1ccco1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID1183978,O=c1[nH]n(-c2ncnc3c2cnn3-c2ccccc2)c(=O)c2ccccc12
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+,,,,,0.0,,,,,,,,,,,,CID4821996,Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1C1CC1
+,,,,,,,,,,,,,,0.0,,,CID2947871,COc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCNCC2)cc1
+0.0,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,CID3543999,COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1
+0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,CID651211,COC(=O)Nc1c(-c2ccccc2)nc2ccc(C)cn12
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID728675,Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)NC(C)(C)C)n1
+,,,,,,,,0.0,,,0.0,,,,,,CID2079950,O=C(Cn1cnc2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,,0.0,,,0.0,,,,0.0,,,,,,CID647266,Cc1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2557934,CN1/C(=C\C=C2\N=C(c3ccc(F)cc3)OC2=O)C(C)(C)c2ccccc21
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID647486,Cc1cccc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID959473,O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID3193405,O=C(c1ccco1)N1CCN(C(c2cccs2)c2nnnn2C2CCCC2)CC1
+0.0,,,,0.0,,,,,,,,,,,,,CID667007,FC(F)(F)c1nnc2sc(-c3ccco3)nn12
+,,,,,,,,,,0.0,,,,,,,CID856149,COC(=O)CSc1nnc(-c2cccnc2)o1
+,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,CID1008238,CCn1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)n1
+,,,,,,,,,,,,,0.0,0.0,,,CID868108,O=[N+]([O-])c1cccc(-c2noc(COc3ccccc3)n2)c1
+,,,,0.0,,,,,,0.0,,,,0.0,,,CID2964580,CCOc1ccccc1N(CC(=O)N1CCOCC1)S(=O)(=O)c1ccc(SC)cc1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID654183,C=CCN(CC=C)C(=O)CN1C(=O)c2ccccc2C1=O
+,,,,,,,0.0,,,,,,,,,,CID3243462,Cc1nc2nc(C)c(CCC(=O)N3CCOCC3)c(C)n2n1
+,,,,,0.0,,,,0.0,,,,,,,,CID2885888,C=CCNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID1262756,COc1cc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(OC)c1OC
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+0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID662808,COc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1
+,,,,0.0,0.0,,,,0.0,,,,,,,0.0,CID3238224,COc1cccc(C2=NOC(C(=O)NC(C)C)C2)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID2970168,CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C3CCCC3)C2=O)cc1
+,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID5307545,CCOc1ccc(Cn2nnc(C(=O)Nc3cc(OC)cc(OC)c3)c2N)cc1
+,,,,,,,,0.0,,,,,,,,,CID3145956,CC1(c2cc(C(F)(F)F)n3nc(C(=O)O)cc3n2)CC1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID663425,CCOCCCn1/c(=N\C(C)=O)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+,,,,,,0.0,,0.0,,,,,,,,,CID647393,CCC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,0.0,CID662341,COc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3943100,CC(C)c1ccc(NC(=S)NN2C(C)CCCC2C)cc1
+,,,,,0.0,,,0.0,,,,0.0,,,,,CID666364,COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2Cc2ccco2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID1955982,COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(-c4ccco4)nc3oc2c1
+,,,0.0,,,,,,,,,,,,,,CID5309291,CC(=O)N1CSCC1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1472641,COc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1281408,CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCSc1nnc2ccccn12
+,,,,0.0,,,0.0,,,,,,0.0,0.0,,,CID2238278,Cc1ccc(NC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID668692,O=C(/C=C/c1ccco1)Nc1ccc(N2CCCC2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID2946691,CCN(CC)C(=O)CC(c1ccc(F)cc1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5340563,O=C(/C=C/c1ccc(-c2ccccc2)o1)c1ccc(F)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID5310510,Cc1ccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)cc1
+,,0.0,,,,,,,,,,,,0.0,,,CID1241177,c1ccc(COn2nnc3ccccc32)c(COn2nnc3ccccc32)c1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID2868601,Cc1cc(=O)n2ncnc2n1COCCO
+,,,,,,,,,,0.0,,,,0.0,,,CID1471573,COc1cccc(-n2nc(-c3ccnn3-c3ccccc3)c(=O)n(C)c2=O)c1
+,,,,0.0,,,,,,0.0,,,0.0,,,,CID653364,COc1ccc(NC2CS(=O)(=O)CC2NCc2ccco2)cc1
+0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0,0.0,,,CID652332,Cc1sc2nc(CN(Cc3cccs3)C(=O)C3CC3)[nH]c(=O)c2c1C
+,,,,,,,,0.0,,,,,,,,,CID1478734,NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(F)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID2997862,C=CCn1c(=O)c2ccccc2n2c(SCc3c(C(=O)OCC)oc4ccccc34)nnc12
+,0.0,,,,,,,,,,,,,,,0.0,CID3238440,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCCC3)ccc21
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+,,,,,0.0,,,,,,,,,,,,CID1482682,COc1ccc(Cn2c(SCc3ccccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3137359,CCN(CC)CCNC(=O)C(C)c1nn(C)c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2498562,Cc1cc(NC(=O)CSCc2ccccc2C)no1
+0.0,,,,,,,,,,,,,,,0.0,,CID3245808,O=C(Nc1ccc(Br)cc1)N1CCCCCCC1
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+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID755898,CN(C)c1ccnc(SCc2ccccc2Cl)c1C#N
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+,,,,,,,,0.0,,,,,,,,,CID2334154,O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1
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+,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,,CID645125,N#CCSc1nnc(-c2cccnc2)n1-c1ccccc1
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+,,,,,,,,0.0,,0.0,,,,,0.0,,CID647634,CCOC(=O)c1cc2ccccc2nc1C
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID1243718,CCn1nc(NS(=O)(=O)c2ccccc2)c2cc3cccc(C)c3nc21
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+,,,,,,,,,,,,0.0,,,,,CID833616,O=C1CN(C(=O)COc2ccccc2)CCN1
+,,,,,,,,,,,,,,0.0,,,CID986614,COc1cccc(C(=O)Nc2cc3c(cc2Br)OCCCO3)c1
+,,,,,,,,,,,,,,,0.0,,CID3244388,O=C(NCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1nccs1
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+,,0.0,,,,,,,,,,0.0,,,,,CID644835,Cc1cccc(C(=O)NC2CCN(CC(=O)N3CCOCC3)CC2)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID649994,CCOC(=O)CNC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C
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+,,,,,,,0.0,,0.0,,,,,,,,CID3238528,O=C(CCn1cccc1)NCc1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,0.0,CID647444,CC(=O)c1cccc(NC(=O)NCCS(C)=O)c1
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+,,,,,,,0.0,,,,,,,,,,CID65752,O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12
+,0.0,,,,,,,,,,,,,,,,CID2859054,Cn1c(C(O)c2ccccc2)nc(Cl)c1Cl
+,,,,,,,,0.0,,,,,,,,,CID3738563,CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1cccc2ccccc12
+,,0.0,,,,,,,,,,,,,,,CID657708,CC1(N2CCOCC2)CC2(O)C(=[N+]1[O-])CCc1nonc12
+,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0,CID2942294,CN1CCC(OC(=O)C23CCC(C)(C(=O)O2)C3(C)C)CC1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID652001,Cc1ccc(N(CC(N)=O)C2SC(=O)N(Cc3ccccc3)C2=O)cc1
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+,0.0,,,0.0,,,,,,,,,,,,,CID667130,c1cncc(-c2nn3c(-c4ccncc4)nnc3s2)c1
+,,,,,,,,,,,,,,0.0,,,CID2059463,O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID3240885,CCn1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2cc(OC)c(OC)cc2c1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1626528,Nc1nnc(CC(=O)N/N=C/c2cccc([N+](=O)[O-])c2)s1
+,,,,,,,,,,,0.0,,,,,,CID6411156,CC(Sc1nnc2c(n1)C1(C)CCC2C1(C)C)C(=O)Nc1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID903366,COc1cccc(NC(=O)c2ccn(C)n2)c1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID645918,O=C(NC1CCCCC1)C1CCN(C(=O)NCc2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID2997558,CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID2418287,CCN(C(=O)COC(=O)/C=C/c1cnc2ccccc2n1)c1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2962055,CC(=O)Nc1ccc(OCC(O)Cn2nc(C)c(Br)c2C)cc1
+,,,,,,,,,,,,0.0,,,,,CID5307639,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(F)cc2)C3C1=O
+0.0,,,,,0.0,,0.0,,0.0,,,,,,,,CID662997,CN1CCc2ccccc2C1C1CCNCC1
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3242142,CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCc1ccco1
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID5729690,Cc1cc(O)c2c(-c3ccccc3)cc(=O)oc2c1
+,,,,,,,0.0,,,0.0,,,,0.0,,,CID5309503,CCOc1ccc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID3238197,O=C(Nc1nccs1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID4053736,Cc1cccc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(C(=O)O)cc2)c1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID3155632,Cc1csc(NC(=O)C2C3C=CC(O3)C2C(=O)O)n1
+,,,,,,,0.0,,,,,,,,,,CID3243574,O=C(c1cccc(N2CCCC2=O)c1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,,,0.0,,,,,,,,,CID991756,COc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1OC
+,,,,,,0.0,,,,,,0.0,0.0,,,,CID2137833,O=S1(=O)N=CN(Cc2cccc(F)c2)c2ccccc21
+,,,,0.0,,,,,,,,,0.0,,,,CID4205295,CCOC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID3210783,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccccc2)no1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID2971550,O=C(Cc1cccs1)N1CCN(C(=O)C2CCCO2)CC1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID852180,COc1ccc(CCNS(=O)(=O)c2cccc(F)c2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2889974,CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3Cl)cc2)CC1
+,0.0,0.0,,,0.0,,,,,,,0.0,,,,0.0,CID645965,Cc1ccc2c(c1)nnn2C1CCN(CC(=O)N2c3ccccc3CC2C)CC1
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,0.0,CID649331,O=C(CSc1nnnn1C1CCCC1)c1ccc2c(c1)OCCO2
+,,0.0,,0.0,,,,,,,,,,0.0,0.0,,CID648810,COC(=O)c1ccccc1NC(=O)COC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID259002,Cc1ccc(S(=O)(=O)NC(Cc2cnc[nH]2)C(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID874915,O=C(/C=C/c1ccccc1)Nc1ccccc1CO
+,,,,,0.0,,,,,,,,,,,,CID5905548,CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccco2)C1=O
+,,,,,,0.0,,,,,,,,,0.0,,CID651580,CCCNc1ncccc1C(N)=O
+,,,,,,,,0.0,,,,,,,,,CID4586919,Cc1ncc2c(c1OC(=O)c1ccc([N+](=O)[O-])cc1)COC(C)(C)OC2
+,,,,,,,,1.0,,,,,,,,,CID9551566,O=S(=O)(NCc1csc(-c2cccnc2)n1)c1ccc(Cl)s1
+,0.0,,,,,,,0.0,,,0.0,,,,,,CID973870,O=C(NCc1ccco1)c1cc(-c2ccccc2)on1
+,,,,,,,,,,,,,,0.0,,,CID16188299,CC(C)CC(O)C1CCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3243514,CCOc1ccc(-c2cc(CCCC(=O)Nc3cc(OC)ccc3OC)no2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6506858,CCOC1=C/C(=C/NNC(=O)C(=O)NCCCOC(C)C)C=C(Br)C1=O
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID1289024,COc1cc(S(=O)(=O)n2nnc3ccccc32)c(OC)cc1Cl
+,,,,,,,0.0,,,,,,,,,0.0,CID2970996,COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc12
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID1085052,Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CN3CCCCC3)cc2)cc1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID893971,COc1ccc(S(=O)(=O)Nc2ccc3ccccc3c2)cc1C
+0.0,,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,CID660615,COc1ccc(CSc2nnc3n(C)c(=O)c4c5c(sc4n23)CCCC5)cc1
+,,,,,,,,,,,,,0.0,,,,CID2235534,COc1cc(C)c(Br)cc1S(=O)(=O)NCCCN1CCOCC1
+,0.0,,,,,,,,,,0.0,,,,,,CID3240910,Cc1c(C(=O)NC(C)C)oc2c1-c1[nH]ncc1CC2
+,,,,0.0,0.0,,,,,,0.0,,,,,,CID650905,CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1
+,,,0.0,,,,,,,,,,,,,,CID660202,CN(C)/C=N/c1ncc2c3ccccc3n(CCN(C)C)c2c1C#N
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID648956,CCOCCCNc1ccc(-c2ccccc2)nn1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID2874023,CCOc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,0.0,,,,,,,,,,,,,,,,CID675000,COC(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O
+,,,,0.0,,,,,,,,,,,,,CID648860,CC1CCCCC1NC(=O)CCCc1nc(=O)c2ccccc2[nH]1
+,,0.0,,,0.0,,,,,,,,,,,,CID661782,CCOC(=O)COn1c(=O)c(-c2ccco2)[n+]([O-])c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID9551676,COc1ccc(N(CC(=O)NCc2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2955786,CN1C(=O)C2C(c3ccc(N(C)C)cc3)NN(Cc3ccccc3)C2C1=O
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID648160,COc1cccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID765728,CC(C)(C)C1CCC(=NNC(=O)CC(=O)NCc2ccccc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2911708,O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2790654,CC(NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2456605,O=C(COc1ncnc2c(Cl)cc(Cl)cc12)NC1CCCCCC1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID875498,CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3245782,O=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2425576,COc1ccccc1CNC(=O)CN1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,0.0,,,,,CID3236019,O=C(CCn1c(=S)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1901377,C=CCN1C(=O)/C(=C/c2cccs2)C(=O)NC1=S
+,,0.0,,0.0,,,,,,,,,,0.0,,,CID664057,C=CCNC(=O)NC(CCSC)C(=O)OC
+,,,,,,,,,,,,,0.0,,,,CID2333159,O=S(=O)(c1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1)N1CCOCC1
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+,,,,,,,,,,,,,,0.0,,,CID1000682,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1
+,,,,,,0.0,,,,,,,,,,,CID803099,CC(=O)Nc1ccccc1NC(=O)CC(C)(C)C
+,0.0,,,,,,,,,,,,0.0,,0.0,0.0,CID3243796,O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID666311,COc1ccccc1C1C(C#N)=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c21
+,,,,,,,,,,,,,0.0,,,,CID1365436,O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NNC(=O)c1ccncc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID892396,N#Cc1nc(-c2cccs2)oc1N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID877310,Cc1ccc(NCCC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2005347,N#Cc1nc(Cc2cccc3ccccc23)oc1NCCN1CCOCC1
+,0.0,,,,,,,,0.0,0.0,,,,,,0.0,CID4130088,O=C(Nc1ccc2c(c1)OCCO2)c1cnc2n(c1=O)CCS2
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+0.0,,,,,,,,,,,,,,,,0.0,CID2842448,O=C(CCN1CCCCC1)NCC1OCCc2ccccc21
+0.0,,,,,,,0.0,,,,,,,,,,CID4107899,O=C(NCCCN1CCCC1=O)c1ccc2c(c1)ncn2C1CCCCC1
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID645921,COc1cc(C(=O)N2CCN(C(=O)C(Cc3cc(C)ccc3C)NC(C)=O)CC2)cc(OC)c1OC
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+,,,,0.0,0.0,,,,,,,0.0,,,,,CID4457143,CCCCC(=O)Nc1nc(C)c(C(C)=O)s1
+,,,,,,,,,,,,,,0.0,,,CID2357437,Cc1ccc(C)c(/C=N/NC(=S)NCCc2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID840860,O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc(Cl)ccc1O
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+,,,,,,,0.0,,,,,,,,,0.0,CID3240400,CC1CCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID3243855,O=C1CC2(CCCCC2)Oc2ccc(OCC(=O)N3CCOCC3)cc21
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID3242180,Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID968836,CCOc1ccc(N2C(=O)CN(CC(=O)OC)C2=S)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3245178,O=C(CCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,,,,,,,,,,,,0.0,,CID1324870,O=C(O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID3226278,O=C(NC1CCCCC1)N1CCCC(c2nc(-c3cccs3)no2)C1
+0.0,,,,,,,,,,,0.0,,,,,,CID3245399,CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3562002,O=C1c2ccccc2NC(c2cccc(Cl)c2)N1N=C1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID4554611,CSc1nc2ccsc2c(=O)n1-c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID982199,O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/N1CCN(C(=O)c2ccco2)CC1
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3245805,O=C(NCc1nnc(SCC(=O)N2CCCCCC2)o1)c1ccco1
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+,0.0,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID655881,COc1ccccc1OCCSc1ncnc2nc[nH]c12
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+,0.0,,,,,,,,,,0.0,0.0,,,,,CID2110251,O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1
+,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID1891806,Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccncc1
+0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID666079,CCN1CCN(c2ncc3c(n2)CC(c2cc(OC)c(OC)c(OC)c2)CC3=O)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID5308169,COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID2956783,COc1ccc(C)cc1S(=O)(=O)N1c2ccccc2CC1C
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID930990,Cc1cccc(NC(=O)NCCc2c[nH]c3ccccc23)c1
+,,,,,0.0,,,,,,,,,,,,CID1861705,O=C(COc1nc2ccccc2s1)n1c2ccccc2c2ccccc21
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID1018009,CS(=O)(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
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+0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,CID665317,O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccc2c(c1)OCCO2
+,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID1367557,CC(C)C12CN3CC(C(C)C)(CN(C1)C31C(=O)Nc3ccccc31)C2=O
+,,,,,,,,,,,0.0,,,,,,CID2388925,O=c1[nH]c2ccccc2nc1N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2165971,CCSc1nnc(NC(=O)CCc2ccc(OC)cc2)s1
+0.0,0.0,,,,,,,,,0.0,,,,,,0.0,CID1089317,CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID2341267,O=C(CSc1cccc[n+]1[O-])c1ccc(Cl)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID2997899,CN(C(=O)CSc1nc2ccccc2n1CCc1ccccc1)C1CCS(=O)(=O)C1
+,,,0.0,,,,,,0.0,0.0,,,,,0.0,,CID2105425,Cc1nc(SCC(=O)NCc2ccco2)nc(C)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID868942,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2480556,COc1ccc(CCNC(=O)COc2ccc(-c3ccccc3)cc2)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID376414,Cc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1
+0.0,0.0,,,,,,,,,,,,,,,,CID5307661,COc1ccc(C2CC(=O)N3CN(c4ccc(C)c(Cl)c4)CSC3=C2C#N)cc1
+,,,,,,,,,,,,,0.0,,,,CID1127131,Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cccc2cccnc12
+,,,,,,,,0.0,,,,,,,,,CID2174649,Cc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccc([N+](=O)[O-])cc3)CN2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2933096,COc1ccc(C)cc1NC(=O)C(Sc1ccccc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3154020,CC(C)(C)NC(=O)CSc1nnc(NC(=O)c2ccccc2Cl)s1
+,,,,,,,,,,,,,0.0,,,,CID2318053,Cc1[nH]n2c(nc(=O)c3ccccc32)c1C=O
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID3245505,O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
+0.0,,,0.0,,,,0.0,,,0.0,,,,,,,CID1350359,O=C(Cc1ccccc1)Nc1c(C(=O)N2CCOCC2)cnn1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,0.0,CID649275,O=C(COC(=O)c1ccco1)Nc1nc2ccccc2s1
+,,,,,,,,,,,,,,0.0,,,CID940761,CN(C)CCNc1oc(-c2cccc(Cl)c2)nc1C#N
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID749988,N#Cc1c(-c2ccc(Cl)cc2)nc2n(c1=O)CCCS2
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID647934,Cc1ccc(C)c(-n2c(SCC(=O)NCC3CCCO3)nnc2-c2ccoc2C)c1
+,,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID3242488,CCc1nnc(NC=C2C(=O)OC(C)(C)OC2=O)s1
+,,,,,0.0,,,,,,,,,,,,CID2271047,CS(=O)(=O)N(CC(=O)NCCc1ccccc1)c1ccc(Cl)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID2968490,COc1ccc(OC)c(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nc2nccs2)c1
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,0.0,CID671759,Cc1n[nH]c(SCC(=O)NCc2ccco2)nc1=O
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID656159,Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID1790061,CN(Cc1ccccc1)C(=O)CCC(=O)N(C)Cc1ccccc1
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID2997890,CC(SCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C(=O)O
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID2998082,CCC1(C)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O
+0.0,,0.0,,,,0.0,0.0,,,,,,,,,,CID653696,Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2106955,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CC(C)(C)C)CC2)cc1
+,,,,,,0.0,,0.0,,0.0,,0.0,,1.0,0.0,,CID805223,CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C
+,,,,,,,,,,0.0,,,,,,,CID1224972,Cc1c(NC(=O)CSc2nnnn2C)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID5432276,COc1ccc(C2=NN=C/C2=C\NNC(=O)c2ccc(C(C)(C)C)cc2)cc1OC
+,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID2196,COc1ccc(C(=O)N2CCCC2=O)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2998892,Cc1cc(NC(=O)COC(=O)COc2cccc3c2OC(C)(C)C3)no1
+,,,,,,,,,,,,,0.0,,,,CID1243703,COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2583797,Cc1nc(CSc2nnc(Nc3cccc(C)c3C)s2)cs1
+,,,,,,,,,,,0.0,,,,,,CID2243914,O=C(Nc1ccccc1C(=O)N/N=C/c1ccc(F)cc1)c1ccccc1Br
+,0.0,0.0,,,,,,,,,,0.0,,0.0,,,CID659081,Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1-c1ccccc1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID1287125,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1
+,0.0,,,,0.0,,,,0.0,,,,,,,,CID5389422,O=C1C=CC=C/C1=C1\N=C(N2CCN(Cc3ccccc3)CC2)c2ccccc2N1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID2377841,Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1
+,,,,,,,,0.0,,0.0,,,,0.0,0.0,,CID658391,Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCOCC1)O2
+,,,,,,,,,,,,,0.0,0.0,,,CID2414385,Cc1ncc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)s1
+,,0.0,,,,,,,,,,0.0,,,,,CID2275401,Cc1cccc(N2C(=O)CC(=O)NC2=O)c1
+,,,,,,,,0.0,,,,,,0.0,,,CID918404,O=Cc1c(N2CCCCCC2)nc2ccccn2c1=O
+,,0.0,,,,,0.0,,0.0,,,,,0.0,,0.0,CID657667,CCOC(=O)/C(C#N)=C1/CCCCCN1C
+,,,0.0,,,,,,0.0,,0.0,,0.0,,,,CID1247097,O=C(Nc1cnccn1)c1ccncc1
+,,,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2904782,CCCC(C)C(=O)NC1CCSC1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID2878871,CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)n2c(s/c(=C\c3ccccc3)c2=O)=N1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID655626,O=S(=O)(c1ccc(Cl)cc1)N1CN2CCN(C2)C1
+,,,,,,,,,,,,,,0.0,,,CID2171031,O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID3751350,CC(Cc1ccccc1)NC(=O)CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)COC(C)(C)C3
+,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID2284913,COc1ccccc1N(CC(=O)NCCc1ccccc1)S(C)(=O)=O
+,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,CID664889,Cc1cccc2cc(COC(=O)C3CCCCC3)c(=O)[nH]c12
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID877495,Cc1oc(C(=O)O)cc1COc1cccc2cccnc12
+,,,,,,,,,,,0.0,,0.0,,,,CID844228,CC(C)Oc1ccc(Cn2c(-c3ccco3)n[nH]c2=S)cc1
+,,,,,,,,,,,,,0.0,,,,CID2323670,COc1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1OC
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID645066,Cc1cccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c1
+,,,,,,,,,,,,,0.0,,,,CID2486416,c1csc(-c2nnc(COc3ccc4c(c3)OCO4)o2)c1
+,,,,,,,,0.0,,,,,,,,,CID2968838,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
+,,,,,,0.0,,,,,,,,,0.0,,CID2787707,COC(=O)C(CC(C)C)NC(=O)c1cc(OC)c(OC)c(OC)c1
+,,,,,,,,,,,,0.0,,,0.0,,CID652590,CCOC(=O)Cc1csc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)n1
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID534506,Nc1nc2nonc2nc1N1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID1725525,O=C1N/C(=C\c2ccc(N3CCOCC3)c(F)c2)C(=O)N1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID896279,O=C(/C=C/c1cccc(Cl)c1)NCCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1939573,COc1cc(OC)nc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)n1
+,,,,0.0,,0.0,,,0.0,,,0.0,,,,,CID596805,O=C(c1scc2c1CCCC2)N1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID2248209,O=C/C(=C\Nc1ccc(Cl)cn1)c1nc2ccccc2o1
+,,,0.0,,,,,0.0,,,,,0.0,,,,CID306227,O=C(Nc1cccc(C(F)(F)F)c1)c1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID767975,CCSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID730610,COc1ccc(CC(=O)NNC(=O)CCc2ccccc2)cc1
+,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,,CID657825,O=C(NCCCC(=O)N1CCOCC1)c1cccnc1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID2951711,Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nc(C)c(Br)c1C
+,,,,,,,,,,,,,,,,0.0,CID5754,CC12CCC(=O)C=C1CCC1C2C(O)CC2(C)C1CCC2(O)C(=O)CO
+,,,,,,,,,,,,,0.0,,,,CID803663,COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID646844,COc1ccc(C2(C(=O)N3CCOCC3)CCOCC2)cc1OC
+,,,,,,,,,,,,0.0,,,,,CID2827233,CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)C(=O)C1
+,,,,,,,,,,,,0.0,,,,,CID666506,CCCCN1CC(=O)C(c2nc3ccccc3[nH]2)=C1N
+,,,,,,,,,,,,,,0.0,,,CID2095794,CCOC(=O)c1sc2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc2c1C
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID892339,NC1=C(c2nc3ccccc3[nH]2)C(=O)CN1c1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID651755,CCOc1ccc(-c2nnn(CCC(=O)O)n2)cc1OC
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID2219275,O=C(NCCN1CCOCC1)c1cc2ccccc2[nH]1
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+0.0,0.0,1.0,,,,,,,,,,,,,,0.0,CID2092851,COc1cc2[nH]c(CN3CC=C(c4ccccc4)CC3)nc(=O)c2cc1OC
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+,0.0,,,,,,,,,,,0.0,,,,,CID1021983,CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)C1CCCCC1
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+,,,,,,,,,,,,,,0.0,,,CID4061336,COc1cc(OC)cc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1
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+,,,,,,,,,,,,,,0.0,,,CID2107779,CC(=O)Cc1nsc(NC(=O)c2ccc(Cl)cc2Cl)n1
+,,,,,,,,,,,,,0.0,,,,CID2829609,O=[N+]([O-])c1ccc(N2CCCC2)c2ncccc12
+,,,,,,,,,,,,,,,,0.0,CID3240601,CCCC/N=c1\sc(C(=O)OC)cc(=O)n1CCCC
+,,,,,0.0,,,,,,,,,,,,CID306871,CCCC(=O)Nc1cc(OC)ccc1OC
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+,,,0.0,,,,0.0,,,,,,,0.0,,,CID1266395,O=c1cc(-c2ccccc2)nc2nc(-c3ccco3)[nH]n12
+,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,CID651837,O=C(Nc1ccc2oc(=O)ccc2c1)c1ccco1
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+,0.0,,,,,,,,,,,0.0,,,,,CID655182,COc1cccc(-c2nnc(N(C)C(=O)C3CCOC3)s2)c1
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+,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,,CID666814,CCc1c(C)[nH]c(N2CCOCC2)nc1=O
+,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,,CID645916,CC(C)OC(=O)CSc1ncnc2c1cnn2-c1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID940689,Cc1ccc2c(c1)cc1c(=O)[nH]ncn12
+,,,,,,,,0.0,,,,,,,,,CID2887361,CC(=O)c1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1
+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID894648,O=C(NCCc1ccncc1)Nc1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID6798908,CO/N=C/C(=N\Nc1ccc(C)cc1)C(=O)c1ccc(OC)cc1
+,,,,,,0.0,,,,,,,,,,,CID4368846,COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2)c1
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+,0.0,0.0,,,,,,,,,,,,,,,CID665778,COCCN(CCOC)c1cc(C)c(C#N)c2nc3ccccc3n12
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+,,,,,,,,,,,,,0.0,,,,CID16195769,CCOC(=O)c1[nH]c(C)c(C(=O)NCc2ccco2)c1C
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID3237289,CCCS(=O)(=O)N1CCCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1
+,,,,,,,,,,,0.0,,,,,,CID2211189,CCCNS(=O)(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2729311,CCCCOC(=O)C(C)Nc1n[nH]c(=S)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID3219070,CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NC(C)(C)C
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+0.0,,,,,,,,0.0,,,,,,,0.0,,CID2999320,CC(NC(=O)c1cncc(Br)c1)c1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2461701,Cc1sc2ncnc(OCc3nnc(-c4cccs4)o3)c2c1C
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+,,,,,0.0,,,,,,,,,,,,CID1732695,COc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1
+,,,,,0.0,,,,,,,,,,,,CID685329,Cc1ccc(C)c(NC(=O)CSc2ccccn2)c1
+0.0,,,,,,,,,,0.0,,,,,,,CID2930251,NC(=O)c1ccc(N2CCCCC2)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1
+,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID644663,CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2CC)cc1C
+,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,1.0,CID975504,Cc1noc(C)c1CSc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1767290,Cc1nc(NC(=S)NC(=O)c2cccs2)sc1C(=O)N(C)C
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+,,,,,,,,,,,,,,0.0,,,CID2181873,CCOc1ccc(OCCCN(C)C)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID656051,O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ncn[nH]1
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+,0.0,,,,,,,,0.0,,,,,,,,CID5307387,O=C(O)CN1C(=O)CCS(=O)c2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID893935,c1ccc2c(N3CCCCC3)nc(N3CCOCC3)nc2c1
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+,0.0,,,,,,,,,,,,,,0.0,0.0,CID645511,Cc1cc(NC(=O)CCC(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2cccs2)no1
+0.0,,,,,,,,,,,,,,,,,CID1111059,Cc1c(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccco4)nc23)c(=O)n(-c2ccccc2)n1C
+0.0,,,,,,,,,,,,,,,,0.0,CID3240671,O=C(NCc1ccco1)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID803800,CSc1ccc(S(=O)(=O)NC2CCCCC2)cc1
+,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,CID661634,NC(=O)c1cc(-c2ccccc2)nc(Oc2ccccc2)n1
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+,,,,,,,,,,,,,0.0,,,,CID3224074,ClCCSc1nnc(-c2cccnc2)o1
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+,,0.0,,,,,,,,,,,,,,,CID661101,O=C(O)CN(c1ccccc1)C1SC(=O)NC1=O
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+,0.0,,,,,,,,,,0.0,,,,,,CID76098,c1nc(N2CCOCC2)c2[nH]cnc2n1
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID659723,COCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
+,,,,,,,,0.0,0.0,,0.0,,,,0.0,,CID3241823,Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCC3=CCCCC3)cc12
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+,,,,0.0,,,,,,,,,,,,,CID3241879,O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1
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+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID654192,COC(=O)CSc1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C
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+,,,,,,,,0.0,0.0,,,,0.0,,,,CID1092907,COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1C
+,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID644560,COCCNC(=O)C(OC(=O)c1ccco1)c1ccccc1OC
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+,,,,,,,,,,,0.0,,,,,,CID953673,CC1CCN(c2ccccc2NC(=O)c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID879333,O=C(/C=C/c1ccco1)Nc1ccc(O)cc1C(=O)O
+,,,,,,,,0.0,,,0.0,,,,,,CID629182,Cc1nn(-c2cc(N3CCCCC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12
+,,,,,,,,,0.0,,,,,0.0,0.0,,CID705477,CC(C)c1cc(NC(=O)C(C)(C)C)cc(C(C)C)c1O
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+,,,,,,,0.0,,,,,0.0,,,0.0,,CID2975922,CCCCn1c(CCNC(=O)CC)nc2ccccc21
+0.0,,,,,,,,,,,,,,,,0.0,CID2855830,COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cc2c(cc1Br)OCO2
+,,,,,,,,,,0.0,,,,,,,CID1021281,CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCC(=O)NC1CCCCC1
+,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID1639652,Cc1nnc(SCC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)n1N
+,,,,,,,,,,,,,0.0,,,,CID1778303,CC/N=C1/S/C(=C\c2cc(OCC)c(O)cc2Br)C(=O)N1CC
+,,,,,,,,,,,,,0.0,,,,CID3619557,CC(C)c1ccc(NC2=NN=C(c3cccs3)CS2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3127338,O=C(NNC(=O)c1ccccc1[N+](=O)[O-])c1ccco1
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID3130975,COc1ccc2[nH]cc(CC/N=C3/SCC(=O)N3C)c2c1
+,,,,,,,,,,,,,,0.0,,,CID2781710,Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=S
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,CID3245889,COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)N3CCCC3)nc2c1
+,0.0,,,,,,0.0,,,,,,,,,,CID5308168,O=C(NCc1cccnc1)c1cnn2ccccc12
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID973573,Nc1nc(COc2ccc3ccccc3c2)cs1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID1053064,COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)C(C)C)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3239182,O=C1N(CN2CCN(c3cccc(Cl)c3)CC2)c2ccccc2C12OCCCO2
+,,,,,,,,,0.0,,,,,,,0.0,CID3244129,CCOC(=O)N1CCN(C(=O)c2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1
+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID666605,Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
+,,,,,,,,,,,,0.0,,,0.0,,CID4617314,CCN(CC)c1c(-c2ccccc2)c2cc(C)ccc2[nH]c1=O
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID658166,CCOC(=O)CSc1nc(C)c(C(C)=O)cc1C#N
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID767904,Nc1nc(CN2CCCCC2)cs1
+,,,,,,,,,,,,,,,,0.0,CID3243703,Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)CCC(=O)NCCC3=CCCCC3)cc12
+0.0,,,,,,,,,,,,,,,,,CID659221,COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CC(C)CC4)cc1
+,,,,,,,,,,,,,0.0,,,,CID2319869,Cc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])nc1
+,,,,,,,,,0.0,,,,0.0,,,,CID1218091,Cc1ccc(C(=O)COC(=O)c2cccs2)cc1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID2999460,O=C1COc2ccc(-c3csc(NCC4CCCO4)n3)cc2N1
+,,,0.0,,,,,,,,,,,,,,CID5389452,COc1ccc(C2=CC(c3ccc(OC)c(OC)c3)N3NN=NC3=N2)c(OC)c1
+0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,CID671037,O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccco1
+0.0,,,,,0.0,,,,,,0.0,0.0,,,0.0,,CID661220,O=C(NCc1ccccc1)NC(=O)c1ccccc1
+,,,,0.0,,0.0,,,,,,0.0,0.0,,,,CID765967,COc1cc(CN2CCSCC2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID1112875,O=C(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1
+,,,,,,,,,,0.0,,,,,,,CID668418,Cc1ccc(/C=N/n2cnnc2)s1
+,,,,,,,,,,,,,,0.0,,,CID2960278,O=C(C1CCCO1)N1CCN(C(=S)NC2CC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1274511,COC(=O)C(=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1)C(=O)OC
+0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,CID1290953,Cc1cc(C)cc(OCC(=O)Nc2ccccc2C(=O)NCc2ccco2)c1
+,0.0,,,0.0,,0.0,,,0.0,0.0,0.0,,,,,0.0,CID673911,O=C(CSc1nc2ccccc2[nH]1)NCc1ccco1
+,,,,0.0,,,,,,,,,0.0,,,,CID661595,CCOC(=O)c1cnc(SC2CC(=O)N(c3cccc(OC)c3)C2=O)nc1N
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID3243585,COc1ccc(CCNC(=O)CS(=O)Cc2nc(-c3cccs3)oc2C)cc1OC
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID646327,COc1ccc(-n2nnnc2SCC(=O)Nc2nnc(C)s2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID9550690,Cc1ccc(Nc2c(-c3ccc(C)o3)nc3cnccn23)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID741660,COc1ccc(-n2ccsc2=S)cc1
+,,,,,,0.0,,0.0,,,,,0.0,,,0.0,CID562945,CCCCc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,0.0,,,,CID859554,Cc1cc(NC(=O)CSc2ncnc3sc(C)c(C)c23)no1
+,,,,,,,,,,,0.0,,,,,0.0,CID3237719,CCOC(=O)c1cn(CC(=O)Nc2ccc(CC)cc2)nn1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID757425,COc1ccc2c(c1)c1c(n2C(C)=O)C(OC(C)=O)=NCC1
+,,0.0,,,,,,,,,,,,,,,CID3236441,CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)[nH]c2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID1220714,CCN(C(=O)c1ccnn1C)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1090946,CCn1nc(C)c(NS(=O)(=O)c2ccccc2)c1C
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID662946,NC(=O)C1CCN(Cc2nc(-c3ccccc3)no2)CC1
+0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,CID653616,O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccccn1
+,,,,0.0,,,,,,,,,,,,,CID652368,NC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccccc2)S1
+,,,,,,,,,,,0.0,,,,,,CID736768,Cc1ccc(-c2cc(N)n[nH]2)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID2622858,O=c1c2ccccc2nnn1CSc1nnc2ccccn12
+,,,,,,,,,,,,,0.0,,,,CID2035962,COCCNc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCCCC3
+,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,,CID2550997,Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)o1
+,,,,,,,,,,,,,0.0,,,,CID2405639,CC(C)NC(=S)Nc1ccc2cn[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID3886690,O=C(COC(=O)C1CCC(=O)N1)Nc1ccccc1Br
+,0.0,,,,,,,,,,,,,,0.0,,CID3240402,CCCN(CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCOCC3)c2c1=O
+,,,,,,,,,,,0.0,,,,,,CID2231941,C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID4188760,O=C(c1cnc2sccn2c1=O)N1CCCc2ccccc21
+,,0.0,,,,0.0,,,,,,,,0.0,0.0,,CID656291,COc1ccc(CN(Cc2ccncc2)C(=O)CCC(=O)O)cc1
+,,,,,,,,,0.0,,,,,,,,CID2998573,CC1CN(C(=O)c2ccccc2C(=O)c2ncc[nH]2)CC(C)O1
+,,,,,,,,,,,,,0.0,0.0,,,CID824906,COc1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID602926,CC(=O)c1c(C)oc(C)c1CSCc1ccc(C(=O)O)o1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,,,CID752298,Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc3c(c2)OCCO3)n1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID2224882,CSc1ccccc1C(=O)NCCSC(C)(C)C
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2237272,COc1ccc(OC)c(-c2cn(S(=O)(=O)c3ccccc3)nc2N)c1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID644714,Fc1ccccc1CCNc1nnnn1-c1ccccc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID872551,Cn1c2c([n+]([O-])c1-c1ccccc1)/C(=N/O)CCC2
+,,,0.0,,,,,,,,,,,0.0,,,CID5389879,CCOC(=O)c1cccc(NC(=O)NC(C)C(=O)OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1122610,O=C(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccncc1
+,,,,0.0,,,,,,,0.0,,,,,,CID2138934,CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1
+,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,CID728839,CC1(C)CC(NS(=O)(=O)c2ccccc2)CC(C)(C)N1
+,,,,,,,,,,,0.0,,,,,,CID2834119,Cc1c(C(c2ccc([N+](=O)[O-])cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,CID2100927,COc1ccc(CNC(=O)COC(=O)c2c[nH]c(=O)[nH]c2=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1334860,O=c1/c(=C/c2ccccc2OCc2ccccc2F)sc2nc3ccccc3n12
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,,CID2532950,O=C(NCCCN1CCCC1=O)c1cncc(Br)c1
+0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,CID3240583,Cc1ccc(-c2nc(CSCC(=O)NCc3cccnc3)c(C)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2931585,O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID697059,O=c1cc(-c2ccccc2)[nH]c(SCc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1481096,Cc1ccc(NC(=O)OCc2cc(-c3ccccc3)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2208959,COc1ccc(NC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID999141,O=C(Cn1nc(C(F)F)cc1C(F)F)NNC(=S)Nc1ccc(F)cc1
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID3236145,COc1ccc(C(C(=O)NC2CCCCC2)N2CCC3(CC2)OCCO3)cc1
+,,0.0,,,,,,,,,,,,,,,CID2197733,CN(c1ccc(C(=O)NCCSC(C)(C)C)cc1)S(C)(=O)=O
+,,,,,,,,0.0,,,,,,,,,CID3839388,CCOC(=O)CCC(=O)N1CCOCCOCCN(C(=O)CCC(=O)OCC)CCOCC1
+,,,,,,0.0,,,,,,,,,,,CID5649178,CCOC(=O)c1oc2c(C)c(O)ccc2c(=O)c1-c1nncn1-c1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,,CID3238045,CCn1ncc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c1C
+,,,,,,,,0.0,,,,,,,,0.0,CID659678,CCC(NC(=O)Nc1ncccc1C)(C(F)(F)F)C(F)(F)F
+,,0.0,0.0,,,,,,,,,,,,,,CID660281,CC(C)Cc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
+,,0.0,,,,,,,0.0,,,,,,,,CID3236794,CCOc1ccccc1C(=O)Nc1ccc2nc(N3CCN(c4ncccn4)CC3)cc(C)c2c1
+,,,,,,,,0.0,,,0.0,,,,,,CID7367443,Cc1[nH]c2c(Br)cccc2c1C1C(CC#N)C1(C)C
+,,,,,,,,,,,,,,0.0,,,CID2922439,Cc1cc(OCCCn2ccnc2)cc(C(C)C)c1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID666631,COc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2F)cc1
+,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,,,,0.0,,CID663252,N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCCC2
+,,,,,,,,,,,0.0,,,,,,CID935614,CC(C)NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3841727,CCn1c(SCc2ccccc2)nnc1C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3224482,COc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1
+,0.0,,,,,,,,,,,0.0,,0.0,,0.0,CID1086920,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3239990,CCOC(=O)N1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1
+0.0,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,0.0,CID666223,O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCSC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1103381,COc1ccc(CCNC(=O)CSc2cccc3cccnc23)cc1OC
+,,,0.0,,0.0,,,,,,,,,,,,CID5308894,CCOC(=O)N1CCN(C(=O)c2oc(=O)c3ccccc3c2-c2ccc(C)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2096417,CCN(CC)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12
+,,,,,,,,,0.0,,0.0,,,,,,CID3154276,CC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccncc1)N2
+0.0,0.0,,0.0,,0.0,,,,,,,,,,,0.0,CID3242652,COc1cccc(-n2nnc3c(=O)n(Cc4ccc(C)cc4)cnc32)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID879280,COc1ccccc1NC(=O)c1oc2ccc(C)cc2c1C
+,,,,,,,,,0.0,,,,,,,,CID7453857,CCOC(=O)C1=C(C)/C(=N/Nc2cccc(C)c2)N=C1C
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID4993461,Cc1ccc(C)c(OCCCCCn2ccnc2)c1
+0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID2221829,Cc1cccc(C)c1OCC(=O)Nc1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,,0.0,,,,,,,,CID949154,Cc1nc(NC(N)=S)sc1C(=O)Nc1ccccc1
+,,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,0.0,CID3238909,COc1ccc(NC(=O)C2C(=O)N(C)C3(C)CC2c2ccccc2O3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2235787,CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)NC1CCCCC1
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID2327631,CCOC(=O)c1csc(NC(=O)c2ccc(OC)c(OC)c2)n1
+,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,CID2356141,CN(Cc1ccccc1)C(=O)COC(=O)c1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,,CID2999297,Cc1nn(-c2ccc(Cl)cc2)c(N)c1C(O)(CSc1nccn1C)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID1410264,CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID5742448,C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nnc1C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5594660,C=CCOC1=N/C(=C2/C=CC=CC2=O)NC(C)=C1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID5307199,Cc1c(C(=O)NCc2ccccc2)oc2ccc(S(=O)(=O)N3CCCC3)cc12
+,,,,,,,,,,,0.0,,,,,,CID4083626,CC(C)(C)c1ccc(N2C(=O)Cc3c2nc(N)c(C#N)c3N)cc1
+,,,,,,0.0,,1.0,,,,,,,0.0,,CID2982630,CCOC(=O)C1CCCN(C(=O)c2cc3ncc(Br)cn3n2)C1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID5767747,COC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OCc2ccccc2)cc1
+,,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,0.0,CID976314,C/C=C(\C)c1nnc(NC(=O)c2ccco2)s1
+,,,,,0.0,,,,,,,,,,,,CID988923,CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(CC)c2=S)cc1
+,,,,,0.0,,,,,,,,,,,,CID2879195,Cc1cc(C)nc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID649020,COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4556994,CN(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])Cc1ccccc1
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID655800,O=C(NC12CC3CC(CC(C3)C1)C2)N1CC2Cc3cccc(=O)n3C(C2)C1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID867086,CCc1ccc(-c2nc(-c3ccncc3)no2)cc1
+0.0,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID649443,O=c1[nH]c2cc(Cl)ccc2n1-c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID652094,O=C(NC1CCCC1)c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12
+0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID660193,C/C(=C1\SC(N2CCOCC2)=NC1=O)c1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,0.0,,,,CID975799,COc1nc(Nc2ccc(OC)c(Cl)c2)nc(OC)n1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID1287984,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2443401,CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC)sc(C(C)=O)c1C
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID658132,CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2
+,,,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,CID1071955,CCOC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
+0.0,,,,,,,,,,,,0.0,,,,,CID5307146,COc1cccc(C2=NOC(C(=O)N3CCc4ccccc4C3)C2)c1
+0.0,,,,,,,,,,,0.0,,,,,,CID971773,Cc1cc(NC(=O)Nc2ccc(F)c(Cl)c2)no1
+,,,,,,,,,,0.0,,,,,,,CID2284070,COc1cccc(OCCOc2ccccc2OC(C)C)c1
+,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,CID655880,CC(C)C(c1nnnn1CCc1ccccc1)N1CCOCC1
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,CID660502,O=C(NCCN1Cc2ccccc2C1=O)c1cccs1
+0.0,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,CID666511,COC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID16187825,Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)Cc2nc(-c3ccccc3)n[nH]2)n1
+,,,,0.0,,,,,,,,,,,,,CID655817,COc1ccc2sc(NC(C)=O)nc2c1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID5447037,CCN1C(=O)/C(=C2\Nc3ccccc3S(=O)(=O)N2)C(=O)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID875183,Cc1ccccc1N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2953328,CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCCCC1
+0.0,,,,0.0,,,,,,,,,,,,,CID2112373,O=c1[nH]c(=O)n(Cc2ccccc2)c2nc(-c3ccco3)cc(C(F)(F)F)c12
+,,,,,,,,,,,,,0.0,0.0,,,CID703413,O=C(O)c1ccccc1-n1c(-c2ccccc2)cc2c1CCCC2=O
+,,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID162461,COc1ccc(Nc2ccccc2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID16193930,O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCCN1CCOCC1
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+,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,CID646274,COc1ccccc1N1CCN(C(=O)Cn2nnc(-c3cccs3)n2)CC1
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+,,,,,,,,,,0.0,,,,,,,CID1154953,CCN(CC)C(=O)CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1126080,CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4cc3OC)cc2)s1
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+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2997648,O=C(O)C1CC=CCC1C(=O)Nc1ccccc1Cl
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+,,,,,0.0,,,,,,,,,,,,CID9551303,Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2C)c1
+,,,,,,,,,,,,0.0,,,,,CID648004,N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1cccnc1
+,,,,,,,,,,0.0,,,,,,,CID4567147,Cc1nnc(SC(C)C(=O)Nc2ncc(Cl)cc2Cl)n1Cc1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID5099069,O=c1c2ccccc2nc(SCc2ccncc2)n1CC1CCCO1
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+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID4623945,CSc1nnc(NC(=O)C2CCCCC2)s1
+,,,,0.0,0.0,,,,,,,,,0.0,0.0,,CID2110030,COC(=O)c1ccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)o1
+,0.0,,0.0,,0.0,,0.0,,,,0.0,,,0.0,0.0,,CID2926761,O=C1c2ccccc2NC(c2ccncc2)N1c1ccccn1
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+,,,,,,,,,,,,,,0.0,,,CID3228947,O=C(CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1)Nc1c[nH]c(=O)[nH]c1=O
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+,,,,,,,,,,0.0,,,,,,,CID5066116,Cc1ccc(NC(=S)NCc2cccn2C)cc1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID2906013,O=S1(=O)CCC(NS(=O)(=O)c2cccc3cccnc23)C1
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+,,,,,,,,0.0,,,,,,,,,CID3241804,CCOC(=O)N1CCN(C(=O)CCS(=O)(=O)c2ccc(Br)s2)CC1
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+,,,,,,,,,,,,,,0.0,,,CID1192732,COc1ccccc1NC(=S)NC(=O)c1c(-c2ccccc2Cl)noc1C
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+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID1258223,O=C(O)CCC(=O)N1CCN(c2nc3ccccc3s2)CC1
+,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,0.0,CID3239863,CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccccc3)n2n1
+,,,,,,,,,,,0.0,,,,,,CID3239980,CCOC(=O)N1CCN(C(=O)c2cc(C)c3c(C)nn(-c4ccccc4)c3n2)CC1
+,0.0,,,,,,0.0,0.0,0.0,,,,,,,,CID3242130,CCOc1ccc(OCC)c(NC(=O)CCCN2C(=O)c3cccnc3C2=O)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID662579,O=C(NCCCn1ccnc1)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
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+,,,0.0,,,0.0,,0.0,0.0,,,,,,,,CID3239290,Cc1nc(CNS(=O)(=O)c2cccnc2)cs1
+,,0.0,,,,,,,,,0.0,,,,,,CID5307423,CC1=C(C(=O)NCc2ccccn2)C2(CCC(C)CC2)OC1=O
+,,,,,,,,,,,,,,0.0,,,CID2152001,O=C1c2cccc(OCC(=O)N3CCCc4ccccc43)c2CCN1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID900724,CN(C)c1ccc(NC(=O)c2cnsn2)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2950251,O=C(NCc1ccccc1)c1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O
+,,,,,,,,,,,,,,,0.0,0.0,CID3236132,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCC3CCCC3)cc2)c1C
+,,,,,,,,,,,,,0.0,,,,CID757528,O=C(O/N=C(/c1ccccc1)c1ccncc1)c1ccccc1[N+](=O)[O-]
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID2960265,c1ccc(Cc2nnc3sc(C4COc5ccccc5O4)nn23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2937041,CCOc1ccc(C2Sc3ccccc3NC3=C2C(=O)OC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID5389766,COc1cccc(C2/C(=C(/O)c3ccncc3)C(=O)C(=O)N2CCCN(C)C)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID657795,Cc1cc2c(c(=O)o1)C(C13C=CC(CC1)C3)C(C#N)=C(N)O2
+,,,,0.0,,,,0.0,,,,,,,,,CID2998916,CN(C(=O)CSc1nnc(NC2CCCCC2)s1)C1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID5310485,COc1cccc(-n2nnc3c(=O)n(Cc4cccc(C)c4)cnc32)c1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2821755,O=C(NCC1COc2ccccc2O1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2992620,Cc1ccc(S(=O)(=O)N2CCN(c3cnn(C)c(=O)c3Cl)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2355261,CSc1ncccc1C(=O)OCC(=O)c1ccccc1Br
+0.0,,0.0,,,,,,,,,,,,,,,CID2147691,Cc1ccc(C(C)C)c(OCCn2c(=O)oc3ccccc32)c1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID1082995,CCOC(=O)COc1ccc(S(=O)(=O)NCc2cccnc2)cc1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID650729,CCc1c(C)c(C#N)c2nc3ccccc3n2c1N(C)C
+0.0,,,,,,,,,,0.0,,0.0,,,0.0,0.0,CID3151625,COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCN(CCO)CC2)cc1
+,,,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,CID665896,Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCN(C)CC2)n3C)c1
+,,,,0.0,,,,,,,,,,,,,CID3786084,CSc1ccc(C2NC(=O)c3c(sc4c3CCN(C)C4)N2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,,CID651071,O=C1CCCc2c1cc(C(=O)NCc1ccco1)c(=O)n2-c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID743362,O=[N+]([O-])c1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID9551458,COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)NC4CCCC4)cc3)c(=O)c2cc1OC
+0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,,CID2243562,COc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID2842914,COc1cc(CN2CC(C)OC(C)C2)cc(OC)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID862318,Fc1ccc(OCc2nnc(SCCN3CCOCC3)o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2252022,CCc1ccccc1OCCCOc1ccc(OC)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID2229879,CC(=O)c1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1
+,,,,,,,,,,,,,,,,0.0,CID2118125,O=C(O)c1cccc(NS(=O)(=O)c2ccc3nnn(O)c3c2)c1
+,,,,,,,,,,,,,,0.0,,,CID2839125,Cc1[nH][nH]c(=O)c1C(c1ccccc1[N+](=O)[O-])C(C#N)C#N
+,,,,,,,,,,,,,,0.0,,,CID944470,Cc1cccc(NC(=O)c2c([N+](=O)[O-])c(C(C)(C)C)nn2C)c1
+,,0.0,,,,,,,,0.0,,,,,,,CID5310145,CC(C)Sc1nc(-c2cccs2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID820092,Cc1[nH]c2ccccc2c1C(=O)NS(=O)(=O)c1ccccc1Cl
+,,,,,0.0,,,,0.0,,0.0,0.0,,,0.0,,CID1149679,Cc1ccccc1NC(=O)CCN1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2982669,O=C(Nc1ccccc1)C(Cc1ccccc1)NC(=O)C12CC3CC(CC(C3)C1)C2
+,,,0.0,,,0.0,,,,,,,0.0,,0.0,0.0,CID977021,Cc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl
+,,,,,0.0,,,,0.0,,,,,,,,CID1829266,Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCC4)cc1
+,,,,,,,,,,,,,,0.0,,,CID682602,S=c1[nH]nc(-c2ccccc2)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID2427846,O=C(Cc1ccc(Br)cc1)N1CCN(c2ccccc2O)CC1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID2158311,O=C(CSc1ncnc2c1oc1ccccc12)Nc1ccccc1C(F)(F)F
+,,,,,,,0.0,,,,,,,,,,CID5308830,CCN(CCNC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1)c1ccccc1
+,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,CID3235841,COc1ccc(N(CC(=O)N2CCc3ccccc32)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID2998084,O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID914418,N#CC1=C(N)SC(N)=C(C#N)C1c1cccc(O)c1
+,,,,,,,,,0.0,,,,,,,,CID2864110,COc1ccc(C(=O)CC2OC(=O)c3c2ccc(OC)c3OC)cc1
+,,,,,,,,,,,,,,,0.0,,CID5405419,CC1=CC(=O)/C(=C2/C=C(c3cccc(F)c3)NN2)C=C1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID658343,O=C(CN1CCOCC1)OCCCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5345631,CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccc(OC)c1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID652000,CC(C)C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1
+,,,,,,,0.0,,0.0,,,,,,,,CID3241839,O=C1CN(CC(=O)N2CCCCC2)c2ccccc2O1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID656096,CCCn1c(O)c(CN2CCCC(C)C2)c(C)c(C#N)c1=O
+0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,,,CID662410,COc1ccc(-c2nnc3sc(COc4ccccc4)nn23)cc1
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,CID651003,CCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1
+,,,,,0.0,,,,,,,,,,,,CID5349636,C=CCOc1ccc(/C=C(\C(=O)c2ccc(C)cc2)c2nc3ccccc3o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID725214,O=C(O)CSc1ncnc2sc(-c3ccccc3)cc12
+,,,,,0.0,,,,,,,,,,,,CID5307897,CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)C1
+,,,,,,,0.0,,,,,,,,,,CID5308977,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
+,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,CID644463,COc1cccc(NC(=O)CSc2nncn2-c2ccccn2)c1
+,,,,,,,,,,,,,,0.0,,,CID1459825,Cc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)C3CC3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID1879701,Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)cc1
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID1072091,COc1ccc(OCC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
+0.0,0.0,,,,,,,,,0.0,,0.0,,,,,CID5307811,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(Cl)cc2)c1C
+,,,,0.0,,,,,,,,,,,,,CID3235736,COC(=O)C1CN(S(=O)(=O)c2ccc(C)cc2)CCN1S(=O)(=O)c1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID5307285,Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21
+,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,CID893786,CCOc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2)cc1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID660639,CCCOc1ccc(C(C)=O)cc1CSCCC#N
+,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID648542,Cc1ccc(NCc2nnc(SCC(=O)NCc3ccco3)n2CC2CCCO2)cc1Cl
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID653190,O=S(=O)(c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCC2)cc1)N1CCCC1
+,0.0,,,,,0.0,0.0,,,0.0,,,,,,0.0,CID3237049,COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2cccc(C)c2)c1
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID4896219,O=C1c2oc3ccc(F)cc3c(=O)c2C(c2ccncc2)N1CCN1CCOCC1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID731982,CCOC(=O)c1nc(NCc2cccnc2)c2ccccc2n1
+,,,,,,,,,,,,,0.0,,,,CID9551483,O=C(CCNS(=O)(=O)c1cccs1)NCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1467343,COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1
+,,,,,,,0.0,0.0,0.0,,,,,,,,CID3236776,Cc1cc(C)cc(N(C(=O)C2CCCC2)C2C=CS(=O)(=O)C2)c1
+,,,,,0.0,,,0.0,,0.0,,0.0,,,,,CID3236805,O=C(Nc1ccc(OC(=O)c2ccncc2)cc1)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID1507035,Cc1cc(CNC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID1626003,Cn1cc(C(=O)N/N=C/C(Br)=C\c2ccccc2)ccc1=O
+,0.0,,,0.0,,,,,,,,,,,,,CID4652198,CCn1c(C(Cc2ccccc2)NC(=O)COC)nc2ccccc21
+,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,CID648587,C=COCCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID665650,Cn1c(Br)nc2c1c(=O)n(CC(O)COc1ccccc1)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID2500568,O=C(COc1ccccc1[N+](=O)[O-])N1CCC(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2867126,CCC(=O)N(Cc1ccco1)C1CC(=O)N(c2ccccc2)C1=O
+,,,,,,,,0.0,0.0,,,,,,,,CID1467684,O=C(CN(Cc1cccs1)C(=O)c1csnn1)NC1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID12034064,O=C(CC(C(=O)O)c1ccccc1)Nc1ccccc1
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+,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,0.0,,CID734492,Cc1cc(C)nc(Nc2ccc(N3CCCC3)cc2)n1
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+,,0.0,,,,,,,0.0,,,,,,,,CID765461,COc1cc2c(cc1OC)-c1nnc(C)n1C1(CCCC1)C2
+,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,CID2868302,CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
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+,,,,,,,,,,,0.0,0.0,,,,,CID784352,COc1ccc(CNc2ccc3cn[nH]c3c2)c(OC)c1OC
+,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID756676,C1=C(CCNc2ncnc3nc[nH]c23)CCCC1
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+,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID651223,CN(C(=O)c1cccnc1)c1nnc(-c2cccnc2)s1
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+,,,,,,,,,,,,,0.0,,,,CID2764124,Nc1nc2nccc(-c3ccco3)n2n1
+,,,,,,,0.0,,,,,,0.0,,,,CID665418,CCCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12
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+0.0,,,,,,,,,,,,0.0,,0.0,,,CID646764,CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID1121308,COc1cc2c(cc1OC)C(CSc1ccccc1C(=O)O)=NC(C)(C)C2
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID1124476,Cc1nn(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c1Br
+,,,,,,,,,,,,,0.0,,,,CID2492524,O=c1cc(CNc2ccc(Br)cc2)nc2sccn12
+,,,,,,,,0.0,,,,,0.0,,,,CID972180,COc1c(C)cc(S(=O)(=O)N2CCCC2)c(C)c1C
+,,,,,0.0,,,,,,0.0,,,,,,CID3219444,COCCN(CC(=O)NC1CCCCC1)C(=O)c1csnn1
+,,,,,,,,,,,,,0.0,,,,CID3173322,NC(=O)c1nsc(C(=O)N(c2ccccc2)C(C(=O)NCC2CCCO2)c2cccs2)c1N
+,,,0.0,,,,,,,,,,,,,0.0,CID3239776,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccnc2)C1
+,,,,,,,,,,,,,,0.0,,,CID3103695,CN(C)NC1CC(=O)N(c2ccccc2)C1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID1490418,COc1ccc(S(=O)(=O)NNC(=O)c2cc3c4ccccc4n(C)c3s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5346718,Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)c(C)c1
+,0.0,,,,,,,,,,0.0,,,,,,CID664728,COc1ccc(CCNc2nc(C)nc3c2oc2ccccc23)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1477570,Cc1ccc(S(=O)(=O)n2ccc(-c3cccc(OCc4c(F)cccc4Cl)c3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6356140,COc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(C)=O)cc1
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+0.0,,,,,,,0.0,,,,,,,,,,CID5309353,COc1ccc(OC)c(NC2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)c1
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+,,,,0.0,,,,,,,,,0.0,,,,CID649598,CCC1C(=O)N=C(SCC(=O)Nc2cccc3ccccc23)NC1=O
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+,,,,,,0.0,,,,,,,,,,,CID2228800,CN(C)C(=O)Nc1ccc(F)cc1F
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID5084783,Cc1cc2cc(CNS(=O)(=O)c3ccccc3)ccc2n1C
+,,,,,,,,,,,,,,0.0,,,CID2352379,Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID3000202,Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1C1COc2ccccc2O1
+,,,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,CID653792,CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1456376,Cc1cccc(C(=O)Nc2ccccc2N2CCN(c3ccc(F)cc3)CC2)c1
+,,,0.0,,0.0,,0.0,,,,,0.0,,,,,CID763655,CCCC(=O)c1c(NC(C)C)cc(C)oc1=O
+,,,,,,,,,,,,,,0.0,,,CID1222846,Cn1cc(Br)c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)n1
+,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,CID2997668,Cc1ccc(CN2CC(C(=O)Nc3ccc4c(C)cc(=O)oc4c3)CC2=O)cc1
+0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID3238382,O=C(NCc1ccco1)c1cc(-c2cccs2)on1
+,,,,,0.0,,,,,0.0,,,,,,,CID702290,CC1CCC2(CC1)Nc1ccccc1C(=O)N2c1ccccc1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID1244259,Cc1occc1C(=O)Nc1cccc(Cn2cccn2)c1
+,,,,,,,,,,,0.0,,,,,,CID841995,Cn1cc(CNC(=O)c2sc3cccc(Cl)c3c2Cl)cn1
+,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,,CID972828,O=C(NCc1ccco1)c1nc2ccccc2s1
+,,,,,,,,,,,0.0,,,,,,CID732500,CCC(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3217885,Cc1cccc(NC(=S)NC2CC3CCCC(C2)N3CC(C)C)c1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2931250,C=CCN(CC=C)C(=O)CCCCC(=O)N(CC=C)CC=C
+0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,,,CID665696,Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(=O)Nc2c(C)cccc2C)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID2845828,NC(=O)C1CCCN(CCc2ccccc2)C1
+,,,,,,0.0,,,,,,,,,,0.0,CID2999033,CC1CC(C)CN(C(=O)COC(=O)c2cc3ccccc3cc2O)C1
+,,,,,,0.0,,,,,0.0,,0.0,,,,CID2205482,CC(=O)Nc1ccc(S(=O)(=O)NCCNC(=O)c2ccccc2F)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID2114458,O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3822883,Nc1c(-c2ccc(Cl)cc2)cnn1C1CCS(=O)(=O)C1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID309669,O=C(COc1ccccc1)NCc1ccccc1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID1098492,COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(C)=O)c3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2902509,CC(CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1
+,,,0.0,,,,,,,,,,,,,,CID684140,COc1cc2c(cc1OC)-c1nnnn1C(C)(C)C2
+,,,,,0.0,,,,,,,,0.0,,,,CID2262468,COc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccco1
+,0.0,,,,,0.0,,,,,,,,,,,CID2999922,COc1ccc(NS(=O)(=O)c2ccc(Oc3ncccn3)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1568453,CCOC(=O)c1cnc2ccc(C)cc2c1NCCO
+,,,,,0.0,,,,,,,,,,,,CID2966205,CN(Cc1ccccc1)C(=O)c1ccccc1NC(=O)c1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,,CID2403348,Cc1ccc(-n2nnnc2SCC(=O)c2nnc(-c3ccc(Cl)cc3)o2)cc1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID649300,CCc1ccccc1NC1=NCC(=O)N1C1CCCCC1
+,,,,,0.0,,,,,0.0,,,,,,,CID3147557,COCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1
+,,,,,,,,0.0,,,,0.0,,,,,CID664110,COC(=O)Cn1ccc(N(C)C)c(C#N)c1=O
+,,,,,,,,0.0,0.0,,,,,,,,CID1072493,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)nc(C)n1
+,,,,,,,,,,,,,0.0,,,,CID860541,O=C(CCC1CCCC1)Nc1nnc(-c2ccc3c(c2)OCO3)s1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID651896,Cc1nn(C)cc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,0.0,,,,,,,,,,,,0.0,,CID3241245,O=C(CCc1nc2ccccc2[nH]1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1672419,C=CCNC(=S)N/N=C/c1ccc(-c2cc(Cl)ccc2Cl)o1
+,,,,,0.0,,,,,,,,,,,,CID1475543,CSc1nc(Cl)c(C#N)c(-c2ccc(C)cc2)n1
+,,,,,,,,0.0,,,,,,,,0.0,CID651402,NC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)C1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID1116824,CC1(C)CC(=O)C(=CNCC2CCN(C(=O)Nc3ccccc3)CC2)C(=O)C1
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+,,0.0,0.0,,,,,,,,,,,,,,CID648055,CC1CCCCC1NC(=O)C1CCN(C(=O)NC2CCCCC2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID1246695,Cc1noc(C)c1C(=O)N1CCc2ccccc21
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2953312,Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CC(C)(C)CC3=O)N2)cc1
+,0.0,,,,,,,,,,,,,,,,CID717145,O=C(c1cccnc1)N1CCN(C(=O)c2cccs2)CC1
+,,,,0.0,,,,,,,,,,,,,CID658701,CCN(CC)Cc1cc(CC(C(N)=O)C(N)=O)ccc1OC
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID662720,Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1N
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID2052844,CCCSc1nc2c(c(=O)n1-c1ccc(OCC)cc1)SCC2
+,,,,,0.0,,,,,,,,,,,,CID2979185,CC1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C#N)C1
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID3240580,CCc1ccc(NC(=O)c2noc3c2CCCCC3)cc1
+0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,CID2357008,COc1ccc(-c2cc(C(=O)OCC(=O)N3CCCC3)c3ccccc3n2)cc1
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+0.0,,,,0.0,,,0.0,0.0,,,,,,,,0.0,CID650264,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccco1
+,0.0,,,,,,,,,,,0.0,,,,,CID5309841,CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5307523,CC1CCc2nn(CC(=O)NCCCN3CCOCC3)cc2C1
+,,,0.0,,,,,,,,,0.0,,,,,CID897065,CC(=O)Nc1cccc(OCC(=O)Nc2ccc(F)cc2)c1
+,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,CID768120,COCc1nc2ccccc2n1Cc1ccc(Br)cc1
+,0.0,,,,0.0,0.0,0.0,,,,,,,,,,CID650989,O=C(c1cc2ccccc2oc1=O)N(Cc1ccc2c(c1)OCO2)Cc1ccco1
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+,,,,,,,,,,,,,0.0,,,,CID751492,COc1cc2c(cc1OC)CN(C(=O)c1ccco1)CC2
+,,,,,,,,,,,,,,0.0,,,CID1508655,CCOc1ccc2nc(SCC(=O)Nc3nonc3C)[nH]c2c1
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+,,,,,,,,,,,,,,,,0.0,CID2835859,CC(=O)C1C(=O)CC(C)(O)C(C(C)=O)C1c1ccc(N(C)C)cc1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID2171230,NS(=O)(=O)c1ccc(NC(=O)COC(=O)CSc2n[nH]c(-c3ccccc3)n2)cc1
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+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID2202556,Cc1ccc(S(=O)(=O)NCCOc2nc(N(C)C)nc(N3CCOCC3)n2)cc1
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+,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,CID649961,C=CCNc1nnc(SCC(=O)N2CCCCC2)c2ccccc12
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+,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,CID665532,COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1
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+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID658818,CCc1nc(NCCN2CCOCC2)c(C#N)c2c1CCCC2
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+,,,,,0.0,,,0.0,,,,,,0.0,,,CID827499,COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3150901,CC1(C)CC2CC(C)(CN2C(=O)c2ccc([N+](=O)[O-])cc2)C1
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+,,,,,,,,,,,,,0.0,,,,CID707046,COc1ccccc1Nc1n[nH]c(=S)s1
+,,,,,,,,,0.0,,,,,,,,CID1087782,Cc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)s1
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+,,,,,,,,,,0.0,0.0,,,,,,CID845278,N#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2
+,,,,,,,,,,0.0,,,0.0,,,,CID875360,O=C1CC(=O)CC(c2ccccc2Cl)C1
+,,,,,,,,,,,,,,0.0,,,CID1489030,COc1cccc(SCC2(O)CCN(C(=O)c3ccc(Cl)cc3)CC2)c1
+,,,,,,,,,0.0,,,,,,,,CID5389994,O=C1C(=C2C=CNC=C2)C(=O)c2ccccc21
+,,,,,,0.0,,,,,,,,,0.0,,CID5308436,O=C1C2CCCN2C(c2ccc(F)c(F)c2)N1c1cccc(Cl)c1
+0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,,,CID654447,CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)NC2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID975682,CCC(CC)c1nnc(NC(=O)c2ccco2)s1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID3238069,Cc1ccc(NC(=O)CCN2C(=O)c3ccncc3C2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID658666,CCn1c(O)cc(=O)nc1SCC(=O)NC(C)(C)C
+,,,,,,,,,0.0,,,,,,,,CID1102945,COc1ccc(NS(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4170459,CCSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C
+0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,CID652819,O=C(CN1C(=O)C2CCCN2C(=O)c2ccccc21)Nc1ccccc1-n1cccc1
+0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,CID664742,COC(=O)C(NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1)C(C)C
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2620928,COc1ccccc1N1CCN(CC(=O)Nc2c(C)n[nH]c2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID2675712,Cc1cc(=O)oc2cc(NC(=O)c3cc4ccccc4o3)ccc12
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID592152,Nc1cc(-c2nn[nH]n2)ccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID902728,COc1ccc(CC(=O)OCC(=O)c2ccc(OC)cc2)cc1
+,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,,CID661341,Cc1cc(N)c(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID5308701,CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
+,,,,,,,,,,0.0,,,,,0.0,,CID868130,CCOC(=O)c1ccc2[nH]c(C)c(CCC(C)=O)c(=O)c2c1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID2952392,O=C(CC(c1ccccc1)c1cc(Cl)ccc1O)N1CCOCC1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID666234,COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2cc(C)ccc2n1C
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID3236216,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Br)cc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID650764,CCn1nc(CC(=O)Nc2nnc(CC(=O)N3CCCCC3)s2)c2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID3750714,Cc1ccc(Oc2ncccc2CO)cc1
+,,,,,,,,0.0,,,,,,,,,CID955158,O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID69088,Cc1cc(=O)[nH]c2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID612906,CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O
+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID3239728,CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID3236927,COc1cc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc(OC)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID1145331,COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID734555,CC(=O)c1cccc(NC(=S)NC(=O)CC(C)(C)C)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2483887,Cc1cc(Nc2cnc3ccccc3n2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID1072696,COc1cc2c(cc1OC)CN(C(=S)NC(=O)c1ccccc1)CC2
+,,0.0,,,0.0,,,,0.0,,,,,,,,CID2999287,CC(NC(=O)Cc1ccsc1)c1ccc(S(N)(=O)=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307584,CCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID661797,O=C(O)CC(C(=O)N(c1ccccc1)c1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID16188113,CN(Cc1nc(-c2cnccn2)no1)Cc1n[nH]c2c1CCCC2
+,,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID2945459,Cc1cc(C)nc(NC2=NC3CCCCC3N2)n1
+,,,,,,,,,,,,,,0.0,,,CID1114512,CCOC(=O)N1CCN(C(=S)NC(=O)c2nn(C)cc2Br)CC1
+,,,,,,,,,,0.0,,,,,,,CID801317,CCOC(=O)c1cnc(SCc2ccc(C(C)(C)C)cc2)nc1N
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID887160,O=C(O)COc1ccc(Br)cc1/C=N/O
+,0.0,,,,,,,,,,,,,,,,CID659667,CCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)n1N
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID654720,Cc1ccc2c(c1)nnn2C1CCN(C(=O)C2CCCCC2)CC1
+,,,,,0.0,,,,,,,0.0,,,,,CID656231,O=C(OC(C(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID16195917,Cn1c(N)c(C(=O)COC(=O)CC2CC3CCC2C3)c(=O)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID856299,O=C(CN1CCCCC1)Nc1ccccc1-c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID3239496,COc1cccc(-c2nc(CS(=O)CC(=O)N3CCC4(CC3)OCCO4)c(C)o2)c1
+,,,,,0.0,,,,,,,,,,,,CID1488252,CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1
+,,,,,,,,0.0,,,,,,,,,CID664767,COC(=O)C(NC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C
+,,,,,,,,,,,,,0.0,,,,CID2396501,Cc1cc(NC(=O)COC(=O)C2CCC2)no1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID5308344,O=S(=O)(NCCN1CCCC1)c1cccc2cccnc12
+0.0,,,,,,0.0,,,,,,,,,,,CID2200234,CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(CC)CC3)cc2)c1
+,,,,0.0,,,,,0.0,,,,,,,,CID2850103,COC(=O)c1ccc(C(=O)OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,,,,0.0,,,,,,,,,,CID2553426,COCc1c(C(=O)OCc2nc(N)nc(Nc3ccccc3C)n2)oc2ccccc12
+,,0.0,,,,,0.0,,,,,,,,,,CID5453475,CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NCc1ccco1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID5309519,CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ncccn5)CC4)CC3)sc2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID629239,CCOC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID712788,CC1(C)CC(=O)c2c(-c3cccs3)n[nH]c2C1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID3237777,Cc1ccc(S(=O)(=O)NC(CC(=O)NC2CCCC2)c2ccco2)cc1
+,,,0.0,,0.0,,,,,,,,,,0.0,,CID656206,CC(C)(C)n1nnnc1C(c1ccccc1F)N(Cc1ccco1)CC1CCCO1
+,,,,0.0,,,,,,,,0.0,,,,,CID2949682,CCSc1cc(C2C(C#N)=C(N)OC(C)=C2C(=O)OC)c(C)o1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1438556,COc1ccc(CSc2nnc(CNS(C)(=O)=O)o2)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID706389,COc1ccc(S(=O)(=O)/N=C2\C=CC(=O)C(C)=C2C)cc1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5308414,COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccc5c(c4)OCO5)cc23)c1
+,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID826843,COc1ccc(NC(=O)Nc2cccc3cccnc23)cc1
+,0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID3235768,CN1C(=O)CSc2ccc(NC(=O)N3CCc4ccccc43)cc21
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID389113,CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)(C(=O)OCC)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID3217141,Cc1ccc(C(=O)CSc2nnc(-c3ccccc3N)n2C)cc1C
+,,,,,,,,,0.0,,,,,,,,CID659589,C/N=C(\NC#N)SCC(=O)c1ccc(Cl)cc1Cl
+0.0,,0.0,,,,,,,,,,,,,,,CID682205,Clc1ccc(COn2nnc3ccccc32)c(Cl)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID9550423,CCN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccccc3)CC2)CC1
+,,,,0.0,,,,,,0.0,,,,,,,CID3237859,COc1ccc(S(=O)(=O)NC(CC(=O)NCCc2ccc(OC)c(OC)c2)c2ccco2)cc1
+,,,,0.0,,,,,,,,,0.0,,,,CID3239627,Cn1c(=O)c2cc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)ccc2n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID2948674,Cc1nc(SC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc2c1CCCC2
+0.0,,,,,,,,,,,,,,,0.0,,CID3593661,O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID768321,O=C(N/N=C/c1ccccc1)c1[nH]ncc1Br
+,,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,CID830687,CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)CC
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID648784,CC(C)CNC(=O)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2548306,Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccc2c(c1)OCO2
+,,,,0.0,,0.0,,,,,0.0,0.0,,,,,CID2963217,O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID5308031,CCOc1ccccc1N(CC)C(=O)Cn1ncc2c(=O)oc3ccccc3c21
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,CID2146364,CCOc1ccccc1NC(=O)CCc1ccc(C)o1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID659097,Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1088361,CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID762489,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CC(C)C
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2538661,COc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID2271432,CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl
+,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID6821,Cc1cccc(NC(=O)c2ccccc2C(=O)O)c1
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID666861,COc1cc2c(cc1OC)CN(C(=O)CCCN1C(=O)c3ccccc3C1=O)CC2
+,0.0,,,,,,,,,0.0,,0.0,,,,0.0,CID716574,c1ccc2oc(SCc3cn4ccccc4n3)nc2c1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID645267,O=C(CSc1nnc(-c2ccncc2)o1)Oc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1457517,CCOC(=O)c1ccc(NC(=O)CSc2nnc(C3CC3)n2CC)cc1
+,,,,,0.0,,,,,,,,,,,,CID663258,CCN(CC)Cc1cc(C(C)=O)ccc1OCC(C)C
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID3240676,COc1cccc(C(=O)NCc2n[nH]c(=S)n2-c2cccc(C)c2)c1
+,,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID747077,CN(C)c1cc(NC(=O)CN2CCOCC2)c2ccccc2n1
+,,,,,,,,0.0,,,,,,,,,CID2439531,CN(CC(=O)NC(c1ccccc1)c1ccccc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,,0.0,0.0,,,,,,,CID1433005,O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)Cc1cccs1
+,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID661484,COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NS(C)(=O)=O
+,0.0,,,,,,,,0.0,0.0,,,,,,0.0,CID952055,COC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
+0.0,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID2954636,Cc1ccc(-c2nc(N)n(C(=O)c3cccnc3)n2)cc1
+,,,,,,,0.0,,,,,,0.0,,,,CID2480,CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID828742,CCS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SC
+,,,,,,,,,,,,,0.0,,,,CID1503107,COc1cc(C(=O)NCc2cc(C)nc3ccccc23)cc(OC)c1OC
+,0.0,,0.0,,,,0.0,,0.0,,,,,,,,CID2228208,Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCOCC3)ccc2C)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID3669529,CCOc1ccc(NC(=O)C(C)Sc2nnc(C)n2C)cc1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2148507,Cc1cccc(CC(=O)Nc2cc(=O)n(C)c(=O)n2C)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID4779888,CC1CN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC(C)O1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID4369940,CC1Cc2nc(SCC(=O)NCCc3ccccc3)n(C)c(=O)c2S1
+,,,,,,,,,,,0.0,,,,,,CID2925984,O=C(c1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
+,,,,,0.0,,,0.0,,0.0,,,,,0.0,,CID652235,O=C(Nc1ccc2c(c1)oc1ccccc12)C1CC1
+,,,,,,0.0,0.0,,,,,,,0.0,,,CID5390019,COCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2410123,CN(C)S(=O)(=O)c1ccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2399286,NC(=O)C1CCN(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID1589630,CCOC(=O)c1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)sc(C)c1C
+,,,,,,,,,0.0,,,,,,,,CID2765982,CCc1c(C(C)S(=O)(=O)c2ccc(C)cc2)[nH]c(=O)n1-c1ccc(C)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID6051700,C/C(N)=C(/C#N)C(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
+,,,,,,,,0.0,,,,,,,,,CID9550685,CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1428115,CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(C)=O
+,,,,,,,,,,,0.0,,,,,,CID2309467,Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,,,0.0,,,,,,CID747997,CC(C)CCn1c(-c2nonc2N)nc2ccccc21
+,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID646908,O=C(NCc1cccs1)C1CCCN(c2ncccn2)C1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2999857,Cc1nc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2s1
+,,,,0.0,,,,0.0,,,,,,,,,CID2208356,Cc1ccc2c(c1)n(S(=O)(=O)c1cccs1)c(=O)n2S(=O)(=O)c1ccsc1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID653230,O=C(NCc1ccccn1)c1cn(Cc2ccccc2)nn1
+,,,,0.0,,,,,,,,,0.0,,,0.0,CID756537,FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCCC2)n1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,,CID3241734,CN(C)c1ccc(NC(=O)CSc2nc(=O)c3c([nH]2)CCCC3)cc1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID3251239,COc1ccc2cc(CCNC(=O)C3CCCC3)c(=O)[nH]c2c1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,,CID1061759,COc1ccccc1NC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID3245053,COc1ccccc1Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)c4ccc(F)cc4)CC3)nc1-2
+,,,,,,,,,,,,,0.0,,,,CID221107,Cn1cnc2c(NCc3ccco3)ncnc21
+,,,,,,0.0,0.0,,,,,,,,,,CID2909972,COc1ccccc1N1C(=O)CCC1(C#N)c1ccccc1
+,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,CID651836,O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccco1
+,0.0,,,,,,0.0,,,,,,,,,,CID742135,COC(=O)CSc1nnc(-c2ccncc2)o1
+,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,CID2867228,Cc1nc(N)sc1-c1csc(Nc2ccccn2)n1
+,,,,,,,,,,,,,,0.0,,,CID1730397,CN(C)c1nc(Cl)nc(NCCOc2ccccc2)n1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID715566,Cc1noc(C)c1C(=O)NCc1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID969866,CN(C)c1nc(N(C)C)nc(N2CCCCC2)n1
+0.0,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,CID925735,COc1ccc(-c2noc(-c3ccccc3F)n2)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID1253774,Cc1cc(OCC(=O)Nn2cnnc2)c(C)cc1Br
+,,,,,0.0,,,,,0.0,,0.0,,,0.0,,CID2370229,O=C(c1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID3225182,O=C(NCCc1c[nH]c2ccccc12)c1cc2sccc2n1Cc1ccccc1
+,,0.0,,,,,0.0,,,,,0.0,0.0,,,,CID5768893,COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccco1
+,,,,0.0,,,,,,,,,,,,,CID661461,CCc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccc(O)c(OC)c2)C2=C(CCCC2=O)N1
+,,0.0,,,,,,,,,,,,,,,CID3235792,O=C(c1cnc2ccccn2c1=O)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2091701,Cc1c(NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,0.0,,,,,,,CID1471730,CCN(CC)c1nc(C)c(C(C)=O)cc1C#N
+,,,,,,,,,,,,,,0.0,,,CID2961199,COC(=O)COc1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
+0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,,,CID647007,O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCCN(c2ncccn2)C1
+0.0,0.0,,,,,,,,,,,,,,,,CID2980648,CN1CCN(C(=O)c2cnn3c(C(F)F)cc(C4CC4)nc23)CC1
+,,,,,,0.0,,,,,,,,,,,CID317081,O=C1CSC(=S)N1Cc1cccnc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2234677,CSc1ncc(Cl)c(C(=O)Nc2nnc(SC)s2)n1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID1720676,O=C(O)c1ccccc1NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
+,,,,,,,,,0.0,0.0,,,,,,,CID651397,Cc1cccc(C)c1NC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID651180,CCOC(=O)CSc1nnc2c(n1)C1(C)CCC2C1(C)C
+,,,,,,,,,,,,,0.0,,,,CID1478113,O=C1NC(c2ccc(Cl)cc2)=COc2ccccc21
+,,,,,,,,,,,,0.0,,,,0.0,CID1263102,COc1cc(OC)c2c(C)c(Cl)c(=O)oc2c1
+,,0.0,,0.0,,,,,,,,,,,,,CID648579,CCOC(=O)Nc1sc2c(c1C(=O)OCC)CCC2
+,,,,,,,,,,,,,0.0,0.0,,,CID713013,O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccco1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID5309890,CCOc1ccc(N2C(=O)c3ccccc3C2O)cc1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID3242040,O=C(NCc1n[nH]c(=S)n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID2238188,O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1)N1CCOCC1
+0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID2998355,Oc1c(C(Nc2nc3ccccc3s2)c2ccco2)ccc2cccnc12
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID661055,N#Cc1nc(-c2ccc(F)cc2)oc1N1CCCC1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID4983382,Oc1c(C(c2cccc(F)c2)N2CCN(Cc3ccccc3)CC2)sc2ncnn12
+,,,,,,,,,,,0.0,,,,,,CID2930014,CC(=O)NC1=NN(C(C)=O)C(C)(c2ccccc2)S1
+,,,,,,,,,,,,,0.0,,,,CID1090479,N#CC(C#N)=Cc1cccn1-c1ccc(C(=O)O)cc1
+,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID2967187,O=C1CC(C(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)C2(CCCCC2)O1
+,,,,,,,,,,,,,,0.0,,,CID6022682,Cc1c(-c2ccccc2)n[nH]c1C(=O)NNC1=c2ccccc2=NC1=O
+,,,,,,,,,0.0,,,,1.0,,,,CID1485389,O=c1oc(-c2ccccc2Cl)nc2ccsc12
+,,,,,,,,,,,,,0.0,,,,CID2642209,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
+,,,,,,,,0.0,,,,,,,,,CID2892927,CC1=CC(C)(C)N(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c2c(C)cc(C)cc21
+0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID650078,O=C1CS/C(=N\c2ccccn2)N1C1CCCCC1
+,,,,,0.0,0.0,,,,,,,,,,,CID661947,c1ccc2c(N3CCCCC3)nc(N3CCCCC3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID684873,CC(=O)c1cc(F)c(N2CCOCC2)cc1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1850488,COc1ccc(-c2c(NC(=O)C(C)C)n(C)c3ccccc3c2=O)cc1
+,0.0,,,,,,,0.0,,0.0,,,,0.0,,,CID660163,COc1ccc(CCNC(=O)c2ccc(=O)[nH]n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2957073,CCC(C)c1ccc(NC(=S)NCCn2cc(Br)cn2)cc1
+,,,0.0,,,,,,,,,,,,,,CID897120,COC(=O)c1sc(NC(=O)c2ccoc2C)nc1C
+,,,,,,,,,,,,,0.0,,,,CID3728633,O=C(N/N=C/c1ccc(F)cc1)c1sccc1OCc1ccc(F)cc1
+0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID1075138,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2990744,CCOC(=O)CC1C(=O)NCCN1Cc1cccs1
+,,,,,,,,0.0,,,,,,,,,CID1129742,O=C(Cn1nc(C(F)(F)F)c2c1CCC2)Nc1ccccc1C(F)(F)F
+,,0.0,,,,,,,,,,0.0,,,,,CID2998684,O=C(COC(=O)C1CC2C=CC1C2)Nc1ccc2c(c1)OC(F)(F)O2
+,,,,,0.0,,,,,,,,,,,,CID1732131,CCOCC(=O)Nc1cc(C(=O)Nc2ccccc2)ccc1Cl
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID3200800,CCOC(=O)Cn1nnnc1C(CC)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O
+,,,,,,,,,1.0,,,0.0,,,,,CID2527259,NC(=O)c1ccsc1NC(=O)COC(=O)Cc1ccsc1
+,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID658014,CCn1c(SC(C)C(=O)O)nc2sc3c(c2c1=O)CCC3
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID673371,CN1CCN(C(=O)c2ccccc2NC(=O)Cc2ccccc2)CC1
+,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID3238097,CCOC(=O)N1CCC(n2c(SCC(=O)NCc3ccco3)nc3ccsc3c2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID1008773,COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID66593,O=c1cc[nH]c2cc(Cl)ccc12
+,,,,,,,,,,,,,0.0,,,,CID886312,S=C(Nc1ccc(Cl)cc1)c1nc2ccccc2s1
+,,,,,0.0,,,,,,0.0,,,,,,CID2216537,Cc1cc(C)c(C)c(OCCCCn2cnc3ccccc3c2=O)c1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID3241184,CC(/C=N/O)Cc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,0.0,,,CID2125116,CCCOc1ccc(C(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1068681,CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID659328,Cn1c(=O)[nH]c(=O)c2c1nc(SCCN1CCOCC1)n2CCc1ccccc1
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+0.0,,0.0,,,,,,,,0.0,,,0.0,,0.0,0.0,CID2999383,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)n(-c2ccccn2)n1
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+,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID1325022,Cc1sc2nc(SCC(=O)N3CCN(CCO)CC3)n(-c3ccccc3)c(=O)c2c1C
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+,,,,,,,,,,0.0,,,,,,,CID1484338,O=C1C=C(c2ccccc2)C(=O)N1Nc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID5952,CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
+,,,,,0.0,,,,,,,,,,,,CID814726,O=C(Cc1ccc(Cl)cc1)Nc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID6404645,CN(C)c1nc(-c2ccccn2)nnc1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2377401,Cc1ccccc1N(C(=O)c1cccs1)c1nc2ccccc2s1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID9551204,CN(Cc1ccccc1)C(=O)c1cccc(N2C(=O)NC3CC2(C)Oc2ccccc23)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID651708,COc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID647026,CCOC(=O)CSc1nnc2n1C(C)(C)Cc1ccccc1-2
+,,,,,,,,,,,,,0.0,,,,CID6346151,COC(=O)CN/C=C1\C(=O)N(c2ccccc2)N=C1C
+,,,,,,,,,,,,,0.0,,,,CID904164,c1ccc(NC2=NCCCCS2)cc1
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+,,,,,,,,0.0,,0.0,0.0,,,,,,CID655609,COc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)c1
+,,0.0,,,,,,,,,,,,,,,CID663337,CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,0.0,,,,,CID5390086,CCc1cc(=O)oc2c(C)c(O)c(CN(C)C)cc12
+,,,,,,,,,0.0,,,,,,,,CID3183778,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCCCC1)OCCO3
+,,,,,,,,,,,,,,0.0,,,CID2575265,O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1CCCO
+,,,,,0.0,,,,,,,,,,,,CID1251635,COc1ccc(-n2c(C)cc(C(=O)NC3CCCCC3)c2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID9550289,CC(=O)N1CCc2cc(S(=O)(=O)N3c4ccccc4CC3C)ccc21
+,,,,,,,,,,,,,0.0,,,,CID3170816,CCOc1cc(NC(=S)NCCCN2CCOCC2)c(OCC)cc1NC(=O)c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID1374182,COc1ccc(C=O)cc1CSc1nnc(COc2cccc3cccnc23)o1
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID5308230,CN1CCN(CCCNC(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
+,,,,0.0,,,,,,,,,,,,,CID3245373,CCOC(=O)N1CCN(C(=O)c2ccc(Cn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2517521,CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1
+,,,,,,,,0.0,,,,,,,,,CID549527,C=C(C)C(=O)Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)C(=C)C)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID766037,CCCc1ccc(-c2ccc(C(=O)O)cc2)nc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1345642,Cc1c(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID2256886,Fc1ccccc1OCCSc1nc2ccccc2o1
+,0.0,,,,,,,,0.0,,,,,0.0,0.0,0.0,CID596278,CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ncccn1
+,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,CID666307,CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID1264006,O=C1CCCN1c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
+,,,0.0,0.0,,,,0.0,,0.0,,,,,,,CID3239746,Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID1519798,c1ccc(-n2nnnc2Oc2cccc3cccnc23)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID2854513,COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCCSC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID1451542,CC(C)c1nnc(NC(=O)c2cccnc2)s1
+,,,,,,,,,,,,,,,,0.0,CID665579,O=C(c1ccccc1-c1nc(-c2ccc(F)cc2)no1)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID1481420,O=C(NNc1cccc(Cl)n1)C1CC1
+,,,,,,,,,,,0.0,,,,,,CID2559147,Cc1ccc(-c2cc(-c3nnc(SCC(=O)NCC(C)C)n3N)c3ccccc3n2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3236549,COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4276478,Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(C)nn23)cc1
+,,,,,,,,,,,,,,0.0,,,CID2224694,Cc1ccc(-n2[nH]c(C)c3c(C)cc(=O)nc2-3)cc1
+,,,,,,,,,,0.0,,,,,,,CID2231481,Cc1ccc(-c2cc(C(=O)NCc3ccccn3)no2)cc1
+,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,CID660933,COC(=O)c1cccc(CSc2nnc(C)s2)c1
+,,,,,,,,,,,,,,0.0,,,CID3892914,CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cncc(Br)c2)c1
+,,,,,,,,,,,0.0,,,,,,CID869626,Cc1nnc2ccc(N3CCOCC3)nn12
+,,,,,,,,,,,0.0,,,0.0,,,CID942803,COc1ccc2[nH]c3c(NCc4ccco4)ncnc3c2c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1281750,c1ccc(-n2nnnc2N2CCOCC2)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID3237534,C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID757402,CC(C)OC(=O)c1c2c(n3ccccc13)C(=O)c1ccccc1C2=O
+0.0,,,,,,,,,,,0.0,,,,,,CID2941721,Cc1cc(Br)ccc1NC(=O)C1CCCO1
+,,,,,,,,,,,,,,1.0,,,CID3586641,CSc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1
+,,,,,0.0,,,,0.0,,0.0,,,0.0,,,CID748833,NC(=O)c1cc2ccccc2o/c1=N\Cc1ccccc1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID2106961,COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2cc(C)on2)cc(C#N)c1=O
+,,,,,,,,,,,,,,0.0,,,CID649837,Cc1ccc(Cl)cc1N1CCN(C(c2ccc(C#N)cc2)c2nnnn2C2CCCC2)CC1
+,,0.0,,,,0.0,,,,,,0.0,0.0,,,,CID5390085,COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=CC3=O)NN2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID7205771,O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)OCCO2
+,0.0,,,,,,0.0,,,,,0.0,,0.0,,,CID2998802,CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)c2nccn2C)c1
+0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,CID2532010,Cc1ccc(-n2c(C)cc(C(=O)CSc3nncs3)c2C)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID651317,C=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,0.0,,,,,,,,,0.0,,,CID843176,Cc1ccn2c(NC(=O)c3ccco3)c(-c3ccccc3)nc2c1
+,,,,0.0,,0.0,,0.0,,,,,0.0,,,,CID2938088,O=C(CCN1C(=O)c2ccccc2C1=O)N1CCC(c2ccccc2)C1
+,,,,,,,,,0.0,,,,,,,,CID1297475,CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc4c(c3)OCCO4)ccc12
+,,,,,0.0,,,,,,,,,,,,CID2248746,COc1ccc(CNC(=O)C(=O)NCc2ccccc2)cc1
+,0.0,,,,0.0,,,,,,,,,,,,CID653409,c1ccc(C(c2nnnn2C2CCCC2)N2CCCCCC2)nc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID872346,Cc1cccc2c1nc(-c1ccccc1)n1nnnc21
+,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,0.0,CID1245506,O=C(c1ccc(Cl)s1)N1CCN(c2ccccc2)CC1
+0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,CID865286,O=C(CSc1nnc(-c2cccs2)o1)N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID863239,Cc1ccc(-c2nnn(CC(=O)N3CCCc4ccccc43)n2)cc1
+0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID2343552,c1ccc2c(c1)Cn1nc(Cc3nc4c(s3)CCCC4)nc1-2
+,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,0.0,CID808139,Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C
+,0.0,,,0.0,,,,,,,,,,,,,CID649265,Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)c3nnnn3c2c1
+,,,,,,,,,0.0,,,,,,,,CID836342,O=C(CCCc1ccccc1)Nc1cccnc1
+,,,,,,,,,,0.0,,0.0,,,,,CID3239026,CC1CCN(c2nc(=O)c(C#N)c(-c3ccccc3)[nH]2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2348320,O=C(COC(=O)/C=C/c1cccc(F)c1)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID760043,COc1ccc(-n2cnc3sc4c(c3c2=O)CCCC4)cc1
+,,,,,,,,,,,,,0.0,,,,CID809284,O=C(CSCc1ccc(Cl)cc1)N/N=C/c1ccco1
+,,,,,0.0,,,,0.0,,,,,,,,CID898495,O=C(NCc1ccc(Cl)cc1)c1cnccn1
+,,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,CID3237610,O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1478068,CCOc1ncccc1C(=O)NCc1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID3212198,COCCNC(=O)C(c1ccc(Cl)cc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID3245454,CCCc1[nH]nc2c1C(c1ccc(O)cc1OCC)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,0.0,,,,,,CID771884,Cc1cccc(Oc2cc(NC(=O)c3ccccc3)cc([N+](=O)[O-])c2)c1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0,0.0,CID2829677,COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1OC
+0.0,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,CID2262138,CCCNc1cc(=O)n(C)c(=O)n1C
+,0.0,,,,,0.0,,,,,,,,,,,CID586837,CN1C(=O)CC(N2CCC(C(N)=O)(N3CCCCC3)CC2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID5730513,CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc([N+](=O)[O-])c1O
+,,,,,,,,,,,,,,0.0,,,CID2157358,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID3226736,CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID975084,CC(=O)Nc1cc(Br)ccc1O
+,,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,CID3235891,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NC2CCCCC2)o1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID1164251,CC(C)OC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1C
+,,,,,,,,,,,0.0,,,,,,CID4271806,O=C(c1ccccc1)c1nn(-c2ccccc2)c(=O)cc1C(F)(F)F
+,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,0.0,CID800451,CC(C)(C)NC(=O)CSc1nccn1Cc1ccccc1
+,0.0,0.0,,,,,,,,0.0,,0.0,,,,,CID978115,Cc1cnn(C(=S)NCCc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2870391,COC(=O)CNC(c1ccccc1)c1cc(Br)ccc1NC(C)=O
+0.0,,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,,CID1347824,Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCCCC4)ccc(c23)C1=O
+,,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,,CID651618,CCCOC(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID708257,COc1cccc(NC(=O)c2nn(C)cc2Br)c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID2354013,Cc1cc(C)n(-c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID1349637,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5104671,O=C(Nc1c(F)cccc1F)c1ccc(-n2cncn2)nc1
+,0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,CID663370,COc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccncc3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID2857126,Cc1cc(C)nc(SC(C)C(=O)N/N=C/c2cccs2)n1
+,,,,,,,,,0.0,,,,,,,,CID9551159,COc1ccc2nc3oc(C(=O)Nc4ccc(OC)c(OC)c4)cc3cc2c1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID5045498,Cc1cc2ccccc2n1CCNC(=O)C1CC1
+,,,,,,,,,,0.0,,,,,,,CID4551656,CCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID2841927,Cc1ccccc1C(=O)O/N=C(\N)c1cccc([N+](=O)[O-])c1
+,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID653223,O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCCc1ccccc1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3244278,C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
+,,,,,,,,,,,0.0,,,,,,CID724169,O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1
+,0.0,,0.0,,,,,,,,0.0,,,0.0,,,CID653281,Cn1c(=O)c2c(nc(-n3ccnc3)n2C)n(C)c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2494850,CSc1nc2ccc(NS(=O)(=O)c3cccc(Cl)c3Cl)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID2891470,COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)n3-c3ccccc3)C2=O)cc1
+,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,0.0,CID652258,CCOC(=O)c1csc(NC(=O)CSc2nnnn2-c2ccc(OC)cc2)n1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,,CID1154227,O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID2117534,COc1cccc(-c2nc(C=O)cs2)c1
+,,,,0.0,,0.0,,,,,,0.0,0.0,,,0.0,CID2095832,CN(C)S(=O)(=O)c1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID665909,COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cc(OC)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID4917814,COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2CCc2cccs2)cc1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID3237998,CC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C#N
+,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,0.0,,CID2565448,Nn1c(Cc2ccccc2F)nnc1SCC(=O)N1CC(=O)Nc2ccccc21
+,,,,,,,,,,,0.0,,0.0,,,,CID1835432,CCCOn1c(-n2nc(C)cc2C)nc2ccccc2c1=O
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID872386,CN(C)c1nc(-c2ccccc2)c2cnn(Cc3ccccc3)c2n1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID667215,Nc1c(N2CCCC2)cc(Cl)c2nonc12
+,,0.0,,,,,,0.0,,0.0,,,0.0,,,,CID658483,COC(=O)c1ccccc1OCc1cccc(C)n1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,CID647741,CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccccc4)n23)cc1
+,,,,,,,,0.0,,,,,,,,,CID744045,CC(C)C(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1
+0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID1316627,CC(=O)Nc1cccc(-c2nnc(SCc3ccccc3C#N)n2C)c1
+,,0.0,,,,,,,,,,0.0,,,,,CID645392,O=C(NCc1ccco1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
+,,,0.0,,,1.0,0.0,,,,,0.0,,,0.0,,CID2961555,CN(C)C(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1
+,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID723710,C=CCn1c(-c2ccoc2)n[nH]c1=S
+,,,,,,,,,0.0,,,,,,,,CID2981974,N#Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)c(F)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID650906,CCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O
+,,,,,,0.0,,,,,,,,,0.0,,CID3237428,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21
+,,,,,,,,0.0,,,,,,,,,CID1035312,COc1ccc2nc(NC(=O)CSc3nc(C)cc(C)n3)sc2c1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID651122,COc1cc(OC)cc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)o2)c1
+,,,0.0,,,,,,,,,,,,0.0,,CID2999362,O=C(CSc1n[nH]c(-c2ccncc2)n1)NC1CCS(=O)(=O)C1
+,,,,,,,,,,,,0.0,,,0.0,,CID1253133,Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)cc1
+,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,CID1002592,O=C(NCCN1CCN(C(=O)c2cc3ccccc3oc2=O)CC1)c1cc2ccccc2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID16194832,Cc1ccc(C)c(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCc2cccnc2)c1
+0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,,CID1314518,O=C(COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID1348872,Cc1ccc(OCC(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID645651,CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(C)C2C1
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+0.0,1.0,,1.0,,,0.0,,,0.0,,,0.0,,,,0.0,CID2998662,CC(OC(=O)c1ccncc1)C(=O)Nc1cccc(Cl)c1
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+,0.0,,,0.0,,,,,,,,,,,,,CID675464,CCOC(=O)N1CCN(Cc2oc(CO)cc(=O)c2O)CC1
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+,,,,,,,,0.0,0.0,,,,,,,,CID2443423,CCCc1cc(=O)nc(SCC(=O)Nc2ccccc2C#N)[nH]1
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+,,,,,,,,,,,,,,0.0,,,CID2486932,CCc1ccc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2101664,O=C(CN1CCCCCC1)Nc1ccc(F)c(F)c1F
+,,,0.0,,,,0.0,,,,,,,,,,CID2889320,COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c1
+,,,0.0,0.0,,,,,,,,,,0.0,,,CID893954,COc1ccc2nc(-n3c(C)ccc3C)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID1092960,CC(=O)Nc1ccc2nc(NC(=O)COc3ccccc3C)sc2c1
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+,,,,,,,,,,,,,,,0.0,,CID648595,CCN(CCCCN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)C(=O)N(C)C2=O
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+,,,,,,,,,,,,,0.0,,,,CID2115313,O=C(CCCSc1ccccc1)Nc1nc(-c2ccco2)c(-c2ccco2)s1
+,,,,,0.0,,,,,,,,,,,,CID2885314,CC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)NCC(C)C)c2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2366890,O=S1(=O)c2cccc3cccc(c23)N1Cc1nnc(-c2ccccc2Br)o1
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+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID1085672,COc1cc(OC)cc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1
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+,,,,,,,,,,,,,0.0,,,,CID6065961,N#C/C(=C\c1c(Cl)cccc1Cl)c1nc2ccccc2o1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID645215,COc1cc(C(=O)NC2CCN(Cc3nnnn3Cc3cccs3)CC2)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID668390,O=C(Nc1ccccc1Cl)c1ccn[nH]1
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID986600,CCOc1ccc2oc(-c3ccccc3)c(C(=O)N3CCN(C)CC3)c2c1
+0.0,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID651656,CCOC(=O)CCc1c(C)nc2cc(-c3ccc(Cl)cc3)[nH]n2c1=O
+,,,,,,,,,,0.0,,,0.0,,0.0,,CID888337,Cc1cc(C(C)(C)C)ccc1OCCN(C)C
+,,,,,,,0.0,,,,,,,,0.0,,CID5309478,Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCOCC3)sc2n1
+,,,,,0.0,,,0.0,,,,0.0,,,,,CID5307976,Cc1oc(-c2cccs2)nc1CS(=O)CC(=O)NCCCN1CC(C)CC(C)C1
+,,,,,,,,,,,,,0.0,,,,CID2683335,CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1190522,COC(=O)c1sc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)c(C(=O)OC)c1C
+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID885153,CC(=O)Nc1nc(-c2ccc(Cl)cc2)nc(C)c1C(C)=O
+0.0,,,,,,,0.0,,0.0,,,,0.0,,,,CID665731,CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2)no1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3239577,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(Br)ccc1OC
+,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,0.0,,CID2057603,COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID655680,CCC(=O)N1CCN(c2cc(C)ccc2C)CC1
+,,,0.0,,,0.0,,,,,,,,,,,CID199037,Nc1nnc(-c2cccnc2)s1
+,,,,,,,,,,,,,0.0,,,,CID892662,CCOC(=O)Cn1cnc(-c2ccc([N+](=O)[O-])cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID5461595,CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C#N)cc2)NC(=O)N1CCCC(=O)O
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID661401,Cn1cc(Br)c(C(=O)NC2CCCCC2)n1
+,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,0.0,CID665068,O=C1C2ON=C(c3ccccc3Cl)C2C(=O)N1Cc1ccccc1
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID2332871,CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2N2CCOCC2)cc1
+,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID2980027,CN(C)S(=O)(=O)N1CCN(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID903017,C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccccn1
+0.0,0.0,,0.0,,,,0.0,,,,,,0.0,,,,CID676149,COc1ccc(-c2nnc(SCC(=O)c3ccc(C)o3)o2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1811563,O=C(O)CCCSCC(=O)Nc1ccccc1
+0.0,,,,,,0.0,,,,,,,,,,,CID687460,CCOc1cc(-c2nnc(-c3ccco3)o2)cc(OCC)c1OCC
+,0.0,,,0.0,,,,,,,,0.0,0.0,,,,CID653140,O=C(O)c1ccc(NS(=O)(=O)c2cccc3nsnc23)cc1
+,0.0,,,,,,,,0.0,0.0,,,,,,,CID695373,Cc1n[nH]c(SCc2cnc(-c3ccccc3)o2)nc1=O
+,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,CID2738648,O=C(CN1C(=O)c2ccccc2C1=O)NCC1COc2ccccc2O1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2929631,O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N(Cc1ccccc1)c1ccccn1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2950528,Cc1cc(Cl)c(S(=O)(=O)NCC2CCCO2)cc1OCC(N)=O
+,,,,,,0.0,,,,,0.0,,,,,,CID658907,C=CCOC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2199396,CC1(C)N([O-])C2=C(c3ccccc3C2=O)[N+](=O)C1(C)C
+,,,,,,,,,,,,,,0.0,,,CID2114463,CC(=O)NCCC(=O)Nc1nc(-c2ccccc2Cl)cs1
+,,,,,0.0,,,,,,,,,,,,CID4178583,COc1ccc(C)cc1N(C)C(=O)c1coc(=O)c2ccccc12
+,,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,,CID669813,COc1ccc(NC(=O)Cc2cccs2)c(OC)c1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID3240119,COC(=O)Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID582530,O=c1[nH]n(Cc2ccccc2)c(=O)c2ccccc12
+,0.0,0.0,,0.0,,,,,0.0,,,,,,,,CID658743,CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(C)OC3
+,,,,,,,,,,,,0.0,,,,,CID3235801,COCCCNC(=O)c1ccc2nc3ccccc3c(=O)n2c1
+,,,,,,,,0.0,,,,,,,,,CID989313,Cc1ccc(N(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)S(C)(=O)=O)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,CID1263493,COc1nc2ccc(C)cc2cc1-c1noc(-c2cccnc2)n1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3238760,FC(F)(F)c1cc(-c2ccco2)nc(-n2nnc3ccccc32)n1
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+,,,,0.0,,,,,,,0.0,,,,,,CID3244318,O=C(CCN1C(=O)COc2ccccc21)NCc1cccs1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID876620,Cc1cc(C)nc(-n2nc(C)c(Oc3ccccc3O)c2C)n1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID662529,c1ccc(OCc2nnc3sc(-c4ccco4)nn23)cc1
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+,,0.0,,,,0.0,,,,,,,,,,0.0,CID3241978,Cc1c(C(=O)N2CCOCC2)sc2ncn(CC(=O)N3CCC(C)CC3)c(=O)c12
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+,0.0,,,,,0.0,,,,,,0.0,,,,,CID655050,Cc1cc(NC(=O)Cc2ccccc2)no1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID652992,COC(=O)CSc1cc(C)nc(NC(C)=O)n1
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID5307246,CCOC(=O)N1CCC(Nc2ccc3nnc(-c4ccccc4)n3n2)CC1
+,0.0,,,,,,,,,,,,,,,,CID3149824,C=CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
+,,,,,,,,,,,,,,0.0,,,CID2476666,O=S(=O)(c1ccccc1)c1nc(Nc2cccc(O)c2)sc1Cl
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+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID2238383,CSc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID717707,CCN(CC)C(=O)COc1ccc(-c2ccccc2)cc1
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID2491763,CCn1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O
+,,,,,0.0,,,,0.0,,,0.0,,,0.0,,CID705884,CCOC(=O)c1cnn(-c2ncnc3sc(C)c(C)c23)c1N
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+,,,,,,,,,,,,,0.0,,,,CID2064076,CCOC(=O)N1CCN(C(=O)Cc2cccc3ccccc23)CC1
+,,,,,,0.0,1.0,,,,,,,,0.0,,CID644992,COc1ccc2c(C)n[nH]c3cccc1c32
+,,,,,,,,,,,0.0,,,,,,CID3219071,CC(OC(=O)c1snc(C(=O)NC2CCCCC2)c1N)C(=O)NC1CCCCC1
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+0.0,,,,,,0.0,,,,,,0.0,,,,0.0,CID659634,Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(O)cc1)Nc1ccccc1O2
+,,,,,0.0,,,,,,,,,0.0,,,CID227383,O=C1C=C(c2ccccc2)C(O)(c2ccccc2)C1
+,,,0.0,,,,0.0,,,,,,,,,,CID3238662,CCN1CCN(C(c2cccs2)C(C)NC(=O)c2cccc(OC)c2OC)CC1
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+,,,,,,,,,,,,,,0.0,,,CID15944879,O=C(CSc1ccsc1[N+](=O)[O-])N1CCN(c2ccc(Cl)cc2)CC1
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+,,,,,0.0,,,,,,,,,,0.0,,CID5292521,CCC(=O)c1cc2c(C)cc(=O)oc2c(C)c1O
+,0.0,,,,,,,,,,,,,,,0.0,CID663146,COc1ccc2c(c1)[nH]c1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12
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+,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID847066,COCC(=O)Nc1nnc(C2CCCCC2)s1
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+,0.0,,,0.0,,,0.0,,,0.0,,,,,,,CID2422184,O=C(COC(=O)Cn1cnc2ccccc21)NCCc1ccccc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID729558,CCOc1nc(C#N)nc(N2CCCCC2)n1
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+,,0.0,,,,,,,,,,,,0.0,,,CID779314,CSc1nnc(-c2ccccc2)o1
+,,,,,,,,,0.0,,,0.0,,,,,CID2852749,CC1CCc2c(sc(N)c2C(N)=O)C1
+,,,,,,,,,,,,,0.0,,,,CID1487493,COc1cnn(-c2ccc(C)cc2)c(=O)c1Br
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID3235732,O=C(CCn1c(=O)c2sccc2n(CC(=O)NCc2ccco2)c1=O)NCc1ccccc1
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+0.0,,,,,,,,,,,,,,,,,CID5307432,NC1=NC2=NC(c3ccc(F)cc3)CC(c3cccc(Br)c3)N2N1
+,,,,,0.0,,,,,,,,0.0,,,,CID2216372,Cc1ccc(C)c(OCCCCn2cnc3ccccc3c2=O)c1
+,0.0,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID648567,CCCCNC(=O)CSc1nnc(-c2ccco2)n1C
+,,,,,,,0.0,,,,,,,,,0.0,CID5389101,CCC(NCCN1CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O
+,,,,,,,,,,,0.0,,,,,,CID4158022,CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)Nc3ccc(OCC)cc3)ccc12
+0.0,,,,,0.0,,,,,,0.0,0.0,,,0.0,,CID655540,O=C(NCc1ccc2c(c1)OCO2)c1cccnc1
+0.0,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,CID644486,CCOc1ccc(-c2nnn(CC(=O)NCc3ccc(OC)cc3)n2)cc1OCC
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+,,,,,0.0,,,,,,,,,,,,CID3502382,Cc1ccc(NC(C#N)c2ccccc2OCc2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2099644,Nc1nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n[nH]1
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+,,,,0.0,,,,,,,,,,,0.0,,CID666410,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1
+,,,,,,,,,,,0.0,,,,,,CID2147019,Cc1ccc2nc(Nc3ccccc3O)nc(-c3ccccc3)c2c1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID971239,O=C(CN1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cn1
+,,,,0.0,,,,0.0,,,,,,,,,CID654248,CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)CC2CCCO2)C1=O
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+,,,,,,0.0,,,,,,0.0,,,,,CID660411,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)OC(C)COC)C1
+,,,,,,,,0.0,,,0.0,,,,,,CID674227,O=C(NC1CCCCC1)c1ccc(CN2CCOCC2)cc1
+0.0,,,0.0,,,0.0,,,,,,,,,0.0,,CID978064,Cc1nnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID3101292,C/C(CC(=O)Nc1ccccn1)=N\NC(=O)C(=O)Nc1ccccc1C
+,,0.0,,,,,,,,0.0,,0.0,,0.0,,0.0,CID977664,CCOC(=O)c1ccc(Cn2cnc3ccccc3c2=O)cc1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID5308203,Cc1ccnc(N2C(=O)c3ccccc3C2Nc2ccc3c(c2)OCCO3)c1
+,,,,,,,,,,,,,0.0,,,,CID16194298,CCC1CCCCN1CCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1
+,,,,,,0.0,,,,,,,0.0,,,,CID3245130,O=C(NCCCN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F
+0.0,,,0.0,,,,0.0,0.0,,,,0.0,0.0,,,,CID1082908,O=C(c1ccc(-c2ccccc2)cc1)N1CCC(C(=O)N2CCCC2)CC1
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,,CID647031,Cc1cc(C)c2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1
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+,,,,,,0.0,,0.0,0.0,,,,,0.0,,,CID1811255,O=C(NCCOc1ccccc1)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID5342400,CC(C)(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1279386,CCOC(=O)/C(C#N)=c1/s/c(=C2/C=Cc3ccccc3N2CC)c(=O)n1CC
+0.0,,,,,,,,,,,,,,,,,CID4212030,COc1ccc2[nH]c(C)c(CCN3C(=O)OC(C)(C)C3(C)O)c2c1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,CID897940,CCSc1nnc(NC(=O)c2ccc(C)o2)s1
+0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,CID647304,CCN(CC)C(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1211194,CCOC(=O)c1cc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)ccc1Cl
+,,,,,,0.0,0.0,,,,,,,,,,CID794863,CN(C)c1ccc(/C=N/c2ccccc2C(N)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID3697143,O=C(NNc1ccc([N+](=O)[O-])cc1)C12CC3CC(CC(C3)C1)C2
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID3240211,COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1F
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID973882,CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c1
+,,,,,,,,,,,,,,0.0,,,CID565567,O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2109026,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,0.0,0.0,,0.0,,0.0,,,,,,,,,,,CID659224,CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1
+,,,,,,,,0.0,,,,,,,,,CID3800837,CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2
+,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,CID3239658,CCOC(=O)N1CCC(NC(=O)CC(NS(=O)(=O)c2ccc(C)cc2)c2ccco2)CC1
+,,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,0.0,CID653351,CCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1
+,,,0.0,,,,,,,,,,,,,,CID655697,Cc1cc(C)c(NC(=O)C2CCCN2CCO)c(C)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID4575322,O=C(NCCC1=CCCCC1)C1CCN(c2nc3ccccc3o2)CC1
+,0.0,0.0,,0.0,,,,,0.0,,,,,,,,CID148620,Nc1ccccc1S(=O)(=O)c1ccccc1N
+,,,,,,,,,,,,,0.0,,,,CID2389053,COc1ccc(-c2nn(CCC#N)cc2/C=N/O)cc1OC
+,,,,0.0,,,,0.0,,,,,,,,,CID3241209,COc1ccc(Cl)cc1-n1c(=S)sc2c(=O)nc(SCC(=O)NCC3CCCO3)[nH]c21
+,,,,,,,,,,,,,0.0,0.0,,,CID914372,COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2766683,CN1CCN(c2nc(N(C)C)oc(=O)c2C#N)CC1
+,,,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,CID658171,COC(=O)CSc1nc2c(c(-c3ccco3)c1C#N)CCCC2
+,,,,,,,,,,,0.0,,,,,,CID1733898,O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1nc(-c2ccccc2)cs1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID2292984,O=C(Nc1cccc2cccnc12)c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID768424,O=C(Cc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])s1
+0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,CID2352148,Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1
+0.0,,,,,,,,,,0.0,,,0.0,,,,CID647494,COc1cccc(Cn2c(-c3cccs3)noc2=O)c1
+,,,,,,,,0.0,,,,,,,,,CID26248,CC(=O)Oc1cccc2c1C(=O)c1c(OC(C)=O)cc(C(=O)O)cc1C2=O
+0.0,0.0,,,,0.0,,,,,0.0,,,,,,,CID5308425,Cc1cccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID1382378,O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)NNC(=O)c1cccnc1
+0.0,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID3239059,COc1ccc(CNC(=O)c2cccc3c2C(=O)N(Cc2cccnc2)C3)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2917230,CCOCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1
+0.0,,0.0,,,,,,,,,,,,,,,CID2236013,O=C(Oc1ccc(-c2ccccc2)cc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2876479,CCc1n[nH]c2cccc3c(OC)ccc1c23
+,,,,,,,,,,,0.0,,,,,,CID5292844,CCC(SC1=N/C(=C/c2ccccc2OC)C(=O)N1c1ccccc1)C(=O)Nc1cc(C)on1
+,,,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,CID645503,CCS(=O)(=O)N1CCC(NC(=O)C2CCCCC2)CC1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID5389356,CCCOc1cccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)c1
+,0.0,,,0.0,,,,0.0,,0.0,,,,,,,CID2997933,Cc1cc(NC(=O)COC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)no1
+,,,,,,,,,,,0.0,,,,,,CID1485671,CN(C(=O)c1ccco1)c1nc2c(s1)CCCC2
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID3245864,COc1ccc(N2C(N)=C(C#N)C(c3cccnc3)C3=C2CC(C)(C)CC3=O)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3245787,CCN(CCNC(=O)C1CCCN(S(=O)(=O)CC)C1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID7087318,Cc1c(C(=O)C(=O)N2CCCc3ccccc32)c2ccccc2n1C
+,,,,,0.0,,0.0,,,,,,,,,,CID3240963,Cc1ccc2c(C)[nH]c(=O)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID836556,CC(C)(C)c1ccc(S(=O)(=O)Nc2cccnc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID646774,CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID2201062,COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)c1
+,,,,,,,,,,,,,,0.0,,,CID717789,Cc1cc(C)n(/N=C/c2cccs2)c(=O)c1C#N
+0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID2954206,COc1ccc(CC(=O)NCc2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n2C)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID654433,COc1ccc(NCc2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1
+,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID652140,CCOC(=O)C1CCN(C(=O)c2ccc3snnc3c2)CC1
+,,,0.0,,,,,,,,,0.0,,,,,CID654760,COc1cc(OC)cc(-n2nnnc2SCC(=O)N2CCCC2)c1
+,,,,,,,,,,,0.0,,,,,,CID2866159,Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1078713,O=C(O)c1cccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID3236039,CCOC(=O)N1CCN(C(=O)CSCc2nc(-c3ccccc3C)oc2C)CC1
+,,,,,,,,0.0,,,,,,,,,CID2770157,O=C(O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID1253850,CN(Cc1nc(-c2ccccn2)no1)S(=O)(=O)c1ccc(Br)cc1
+,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID840037,CC(=O)Nc1nc(C)nc(-c2ccccc2)c1C(C)=O
+,,,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,CID666982,COC(=O)c1cc(COc2cc(C)cc3oc(=O)c4c(c23)CCC4)c(C)o1
+,,,,,0.0,,,,,,,,,,,,CID1926999,O=C1N=C(N2CCOCC2)S/C1=C\C=C/c1ccccc1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID2673389,O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)CCC2
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+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID715872,CCc1noc(N)c1C(=O)Nc1ccc(F)c(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID9551598,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Br)cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID948855,CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID3136257,COc1ccc(NC(=O)CC2S/C(=N\c3nccs3)N(C)C2=O)cc1
+,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,,CID947806,CCc1nc2cc(C)nn2c2nc3ccccc3n12
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+0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,,0.0,CID667127,COCCn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,,CID2226217,CS(=O)(=O)Nc1ccc(C(=O)NCc2ccccn2)cc1
+,,,,,,,,,,,,,,,0.0,,CID3244500,CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)O)c(=O)c2c1
+,0.0,,,0.0,,,,,,,,,,0.0,0.0,,CID887538,Cc1cc(C)n(-c2nnc3n2N=C(c2ccccc2)CS3)n1
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+,,,,,,,,,,,,,0.0,,,,CID4313811,C=CCNc1nc(C(=O)OCC)nc2ccccc12
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+,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,CID1088631,O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1
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+,,,,0.0,,0.0,,,,,,,,,,,CID3243949,Cc1csc(NC(=O)CNS(=O)(=O)c2cccs2)n1
+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID991670,CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc(Br)c2)CC1
+,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID2946800,O=C(c1cc2ccccc2oc1=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,0.0,,,,,CID660298,COc1ccc(C(=O)Cn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,,,,,,0.0,,,,,,,,,CID3492167,CCOC(=O)c1nnn(-c2nonc2N)c1COc1c(C=O)cccc1OC
+,,,,,,,,,,,,,,0.0,,,CID2945595,COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1[N+](=O)[O-]
+,,,,,,,,,0.0,,,,,0.0,,,CID4441495,CCOC(=O)c1sc2nc(NC(=O)C(C)(C)C)sc2c1C
+,,,,,,,,,,0.0,,,,,,,CID1985772,Cc1ccc(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c(C)c1
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+,,,,,0.0,,,,,,,,,,,,CID2296969,C=CCNCCCCOc1ccc(C)cc1[N+](=O)[O-]
+,,,0.0,,0.0,,,,,,,,,,,,CID601074,Cc1c(C)c2c(C)[nH]nc2oc1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID3294380,O=C(Nc1c(Cl)cccc1Cl)c1cc(=O)n(Cc2ccccc2)c(=O)[nH]1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID3239624,Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCc4ccco4)nn3c2C)cc1
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+,,,,,,,,,,0.0,0.0,,,0.0,,,CID664198,COc1ccc(N2CCCn3c2nc2c3c(=O)n(CCCc3ccccc3)c(=O)n2C)cc1
+,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID3000016,COC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C
+,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,,,CID5307415,CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21
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+,,,,0.0,,,,0.0,,,,,,,,,CID655884,COc1ccc(Cl)cc1C(=O)CSc1nc(N)cc(N)n1
+,,,,,,,,,,,,,0.0,,,,CID2336213,N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)C(=O)NCc1ccccc1
+,0.0,,,,,,,,0.0,,,,,,,,CID2997515,Cn1c(SCC(=O)NCc2ccc(F)cc2)nc2ccccc21
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID1263104,Cc1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)s1
+,,,,,,,,,,,,,,1.0,,,CID710787,COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2)cc(OC)c1OC
+,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,,CID654565,CCCN1C2CCCC1CC(NC(C)=O)C2
+,,0.0,,,,,,,,,,,,,,,CID2547568,O=S(=O)(c1ccc(NCCc2c[nH]c3ccccc23)nc1)N1CCOCC1
+,,0.0,,,0.0,,0.0,,,,,,,0.0,,,CID272806,O=C(CNC(=O)c1ccccc1C(=O)O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID11957176,O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1562745,CCCCOC(=O)Nc1ccc(N2CCCCC2)cc1
+0.0,,,,0.0,,,0.0,0.0,,,,,0.0,,,,CID649669,COc1ccc(C2C(=O)N(C(C)(C)C)CC(=O)N2c2ccccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2362869,O=C(COC(=O)c1cccnc1Cl)NCc1ccco1
+,0.0,,,,,,,,,0.0,,,,,,,CID3243594,C=C(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21
+,,,,,,0.0,,,,,,0.0,,,,,CID647507,CN1C(=O)c2ccccc2N(C)C1c1cccs1
+,,,,0.0,,,,,,,0.0,,0.0,,,,CID3241855,CC(=O)Nc1ccc(S(=O)(=O)/N=C2\SCCN2S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4516212,CC(C)(C)S(=O)(=O)/C(C#N)=N/Nc1ccc(Cl)cc1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2531714,Cc1ccc(C)c(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
+,,,,,,,0.0,,,,,,,,,,CID3244281,CN(CCc1ccccn1)S(=O)(=O)c1ccc(F)cc1
+0.0,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,0.0,0.0,CID648410,Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID663682,CC(C)C(NC(=O)NCc1ccc(Cl)cc1)C(=O)O
+,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID2225729,COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3cc(Br)ccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID1088145,CCNc1nc(C(=O)O)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,,0.0,,,CID2179577,CC(C)OC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1
+,,,,,,,,,,,0.0,,,,0.0,,CID2179046,CCOCCCNC(=O)c1ccccc1Br
+,0.0,,,,,,,,0.0,0.0,,,,,,,CID1296610,O=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID90407,O=C(NCCO)c1ccccc1O
+,,,,,,,,,0.0,,,,,,,,CID5308899,CC(CCc1ccco1)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
+,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID645442,Cc1sc(NC(=O)CN2CCN(c3ccccn3)CC2)c(C#N)c1C
+,,,,,,,,,,,,,0.0,,,,CID788657,Cc1cc2cc(C=O)c(Cl)nc2cc1C
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID3244173,CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)NCc3ccccc3)C(C)C)ccc21
+,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID649232,CCc1cc2ccc(C)cc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID701783,O=C(COc1ccc(Cl)cc1)NC1=NN(c2ccccc2)C(=O)C1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID644513,O=C(NC1CCCCCC1)c1nc2ncccn2n1
+,,,,,0.0,,,,,,,,,,,,CID4269490,CN1CC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1
+,,,,,,,,,,,,0.0,,,,,CID5155350,COc1ccc(NC(=O)N2CCC(c3ccccc3)C2)c(OC)c1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID5309834,CC(=O)c1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID648573,CC1CCc2c(nc3ncnn3c2N2CCN(c3ccccc3F)CC2)C1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID5308784,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OCO3)C1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID2970472,CCc1cc(Br)ccc1NC(=O)C1CCCO1
+,,0.0,,,,,,,,,,0.0,,,,,CID644845,COc1ccc(CSc2nnc(N)s2)cc1F
+,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,0.0,,CID838667,COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(C)cc1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID898261,CCOc1ccccc1C(=O)n1nc(C)cc1C
+,,,,,,,,0.0,,,,,,,0.0,,CID2198546,CCCNC(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1
+,,,,,,,0.0,,,,,,,,,,CID414138,COc1cc(NCCCCCN2C(=O)c3ccccc3C2=O)c2ncccc2c1
+,,,,,,,,,,,,,,0.0,,,CID12005108,Cc1cc(C)cc(NC(=O)CC23CC4CC(C2)CC(n2nnc(C)n2)(C4)C3)c1
+,,,,,,,,,,,,,0.0,,,,CID16196854,CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccccc2F)c1
+,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,CID2961825,Cc1cc2ncn(C3CC(=O)N(Cc4ccccc4)C3=O)c2cc1C
+,,,,,,,,,,,,,0.0,,,,CID2936988,CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(Cc2cccnc2)C1=S
+,,,,,,,,,,,,,0.0,,,,CID4883952,O=C(CN1CCCC1)Nc1cc(F)ccc1F
+,,,,,,,,,,,,,0.0,,0.0,,CID3245240,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID3242801,Cc1ccc(C(=O)NCC2CCCO2)cc1N1CCCC1=O
+,,,,,,,,0.0,0.0,,,,,,,,CID747857,CCOC(=O)c1c(NC(=O)c2ccnn2C)sc(C)c1C
+,,,,,0.0,,,,,,,,,,,,CID6506837,CCCOc1ccccc1N/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1nc(C)cc(C)n1
+0.0,,,,,,,,,,,,,,,,,CID2997911,CC(OCC(O)CN(C)CCOc1ccccc1)c1ccc(Cl)cc1
+0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,0.0,CID653163,CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1474923,CO/N=C(/Cn1ncc(N2CCOCC2)c(Br)c1=O)c1ccc(Cl)cc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID661848,Cc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc(Br)cc2)CN=3)o1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,,CID1094311,CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccs2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID2574198,CCOC(=O)N1CCN(CC(=O)Nc2cccc(Br)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2456253,CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)o2)c1C
+,,,,0.0,,,0.0,,,,,,,,,,CID709390,O=C(Nc1cccnc1)c1scc2c1OCCO2
+,,,,,,,,,,,,,0.0,,,,CID729518,COc1ccc(/C=N/NC(=O)Cn2cnc3ccccc3c2=O)cc1
+,0.0,,,,,0.0,,,,,,0.0,,,,0.0,CID2346494,COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cnc(C)cn1
+,,,,,0.0,,,,,,,,,,,,CID1377609,Cc1ccccc1OCC(=O)N/N=C/c1cc2ccccc2nc1Cl
+,,,,,,,,,,,,,,0.0,,,CID893047,O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)NC2=O
+,,,,,,,,,,,0.0,0.0,,,,,CID3239352,C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)ccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID1379398,O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(OCc2ccccc2)cc1
+,0.0,,,,0.0,,,,,0.0,,,,,1.0,,CID206167,c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2767876,CC(C)(C)C(=O)Nc1c(C#N)sc(SCC#N)c1-c1ccccc1
+,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,CID3239942,CC(C(=O)NCc1cccs1)n1cccc1
+,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID5310496,COc1ccccc1N1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccccc2)CC1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID2114594,O=C(NC1=NCCS1)c1cc(-c2ccccc2)nn1-c1ccccc1
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID1318332,O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID2921866,O=C1C2CC=C(Cl)CC2C(=O)N1CC1OCCc2ccccc21
+,,,,,0.0,,0.0,,,,,,,0.0,,,CID645991,CN(C)c1ccc(-c2ccccc2)nn1
+,,,,,,,,,,,,,0.0,0.0,,,CID825129,CC1(C)CC(=O)C(Sc2ccccc2C(=O)O)=C(O)C1
+,,,,,,,,,,,,,0.0,,,,CID1484358,COc1ccnc(Oc2cc(Cl)cc(Cl)c2)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID1920454,COC(=O)C1=C(C)N(c2ccc(C)cc2)/C(=C\c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID867425,CN(C)c1ccnc2sc(C(=O)NCc3ccccc3)c(N)c12
+,,,,,0.0,,,,,,,,,,,,CID11958785,Cc1ccc(/C=C(/C#N)c2nc(CCN3C(=O)c4ccccc4C3=O)cs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2928770,O=C(COc1ccc(Br)cc1)N(Cc1ccccc1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2231419,CS(=O)(=O)Nc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID849733,Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O
+,,,,0.0,,,,,,,,,,,,,CID2122378,O=C(CCC(=O)c1cccs1)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2233591,Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)n1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID3238241,COC(=O)c1cc2oc3ccccc3c2n1CC(=O)Nc1ccccc1OC
+0.0,,,,,,,0.0,,,0.0,,,,,,,CID665476,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID2300063,Cc1ccc(C(C)C)cc1OCCOCCN1CCCC1
+,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID654310,Cn1c(=O)c2c(nc(NCCCO)n2CCc2ccccc2)n(C)c1=O
+,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,CID653667,CC(C)(C)c1ccc(OCC(=O)NCc2ccco2)cc1
+,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID3235984,Cc1cc2ccccc2c(=O)n1CC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID4287298,Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br
+,,,,,,,,0.0,,0.0,,,,,,,CID1176589,Cc1ccc(OCc2nnc(SCC(=O)NCc3ccco3)n2C)cc1
+0.0,,,0.0,,0.0,,,,,,0.0,,,,,,CID3236618,Cc1ncoc1C(=O)Nc1ccccc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID7315429,N#Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)n1
+,0.0,,,,,,,,,,,,,,0.0,,CID5307137,CCCN(CCC)C(=O)c1c(C)[nH]c(C(=O)OCC)c1C
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID646983,COc1ccc(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID878094,CCCC(=O)Nc1ccc2nn(-c3ccc(C)c(Cl)c3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID5349501,Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(NCCCn3ccnc3)nc12
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID665713,COc1ccc(OCc2nn3c(-c4ccccn4)nnc3s2)cc1
+,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0,CID3237637,CNC(=O)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCC(C)CC2)c1
+,,,,,,,,,,,0.0,,,,,,CID5455181,Cc1n[nH]c(C)c1Sc1ccccc1N/C=C1\C=C(Cl)C=C([N+](=O)[O-])C1=O
+0.0,,,,,,,,,,0.0,,,,,,,CID647946,Cc1cc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C2CCCCC2)no1
+,,,,,0.0,,,,,,,,,,,,CID5348731,COc1ccc(/C(N)=N/OC(=O)COc2ccc3ccccc3c2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID1121117,COc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1
+,,,,,,0.0,,,,,,,,,,,CID604408,O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccn1
+,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,CID659270,CCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OC)cc2)c1C#N
+0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,,CID648107,O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID854487,Cc1cc(OCc2ccccc2)c2c3c(c(=O)oc2c1)CCC3
+0.0,,,,,0.0,0.0,,,,,,,,,0.0,,CID657459,Cn1c2c([n+]([O-])c1-c1ccccc1)CCC/C2=N\O
+,,,,,0.0,,,,,,,0.0,,,0.0,,CID645241,COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)Nc1ccc(Cl)cc1
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID3858898,COc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OC
+0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,,CID2238014,Cc1cccc(C)c1OCCCCc1c(C)n[nH]c1C
+,,,,,,0.0,0.0,,,,,0.0,,0.0,,0.0,CID1096303,COc1ccc(OC)c(NC(=O)Cn2c(=O)oc3ccccc32)c1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID2091512,Cn1nnnc1SCC(=O)NC(=O)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2145795,CC(C)CN1C(=O)/C(=C/c2ccco2)SC1=S
+,,,,,,,0.0,,,,,,,,,,CID16072228,COc1cc(NS(=O)(=O)c2ccc(F)c(C#N)c2)c2ncccc2c1
+,,,,,,,,,,0.0,0.0,,,,,,CID2569114,CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(CCC)c2C)[nH]1
+,,0.0,0.0,,,,,,,,,,,,,,CID3243404,COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(c3ccc(F)cc3)CC2)cc1C
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID606519,CCOC(=O)NCc1ccc2c(c1)OCO2
+0.0,,,0.0,,,,,,,,,,,,,,CID645097,CC(C)CCNC(=O)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,0.0,CID2998702,COc1ccc(C2=NCC(CSc3nccc(=O)[nH]3)S2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID5309783,CCOC(=O)N1CCN(c2c(NCc3cccs3)c(=O)c2=O)CC1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID3238175,CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)CC1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3155100,CCOCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID752305,COc1ccccc1NC(=O)NS(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,0.0,,,,,,CID804607,O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1F
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID580158,O=C(NCCOc1ccc(Cl)cc1)C1CC(=O)N(c2ccc(F)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2572037,CSc1ncccc1C(=O)NCC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID901282,Cc1cccc(Sc2c([N+](=O)[O-])ncn2C)c1
+,,,,0.0,,,,0.0,,,,0.0,,,0.0,,CID2203298,CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
+,,,,,,0.0,,,,,,,,,,,CID2999115,CCCc1nc2ccccc2c(C(=O)OC2CCOC2=O)c1CC
+,,,,,,,,,,,,,0.0,,,,CID2322191,O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1
+0.0,,,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,,,CID2489851,O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccco1
+,,,,,0.0,,,,,,,,0.0,,,,CID2767878,COC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)o1
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID2998671,O=C1CN(C(=O)CSc2nncn2-c2ccccc2)c2ccccc2N1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID976690,Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID663416,O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1cccs1
+0.0,,0.0,,,0.0,,,,,0.0,,,,,,,CID5308254,O=C(C(Cc1ccccc1)n1cccc1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,0.0,,,0.0,,0.0,,CID1631759,c1ccc(-c2nnc(CN3CCC4(CC3)OCCO4)o2)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID935465,CCOC(=O)c1ccc(NC(=O)CN2CCc3ccccc3C2)cc1
+,,,,,,,,0.0,0.0,,,,,,0.0,,CID2107652,COCCn1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C
+,,,0.0,,0.0,,,,,,,,,,,,CID2313814,Cc1cc(C(=O)CNCc2ccco2)c(C)n1-c1ccc(F)cc1
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID645366,CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1ccc(-n2cnnn2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1233123,Cc1cc(/C=N/NC(=O)c2cccs2)c(C)n1-c1ccc2ncccc2c1
+0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,CID653488,COc1ccccc1CN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccncc1
+,,,,,,0.0,,,,,,,,,,,CID1246117,Cc1occc1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID6622851,O=C(NCc1ccc(Cl)cc1)c1cnn2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1819366,C=CCOn1c(C)c(C(C)=O)c2c3no[n+]([O-])c3ccc21
+,,,,,,,,,,,0.0,,,,,0.0,CID805490,CCOC(=O)CCn1cc(F)c(=O)n(Cc2ccccc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2063708,COc1ccccc1NC(=O)C(=O)N/N=C/c1cccs1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID5308183,CCOc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)noc2C)cc1
+0.0,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,,,CID1843541,O=C(COc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID773391,C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC2)c1
+0.0,,,,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,CID955247,CCC(=O)c1cn(Cc2ccccc2C#N)c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID4287683,O=C(c1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)N1CCCCC1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID1101933,O=C(NCc1ccco1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID2936398,COc1cccc(N2CCN(C3CC(=O)N(c4ccc(Cl)cc4)C3=O)CC2)c1
+,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID663339,CCOc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
+,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,0.0,CID655257,CC(C)C(OC(=O)c1cc2occc2n1C)C(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,0.0,,,0.0,,CID2998087,Cc1sc2ncnc(N3CCCCC3C)c2c1C
+,,,,,,,,,,,,,,0.0,,,CID1511712,O=C(Cn1cc([N+](=O)[O-])cn1)NCCc1c[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID5296435,COc1ccc(C2CC(=O)N=C3NNC(c4ccccc4)=C32)cc1OC
+0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID1601737,CN(C)CCCOC(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID732499,CC(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2948413,CC(CC(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID2954796,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2862775,O=C(NCCCn1ccnc1)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,,,,CID2493207,Cc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID2925864,O=C1CC(C(=O)Nc2nccs2)C(c2ccccc2)O1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,CID2105106,Cc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2887995,CC(C)C(C(=O)NC(C)(C)C)N1C(=O)c2ccccc2C1=O
+,0.0,0.0,,,,0.0,,0.0,,,,,0.0,,0.0,,CID5320,CC(=O)NS(=O)(=O)c1ccc(N)cc1
+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID3309473,COc1ccccc1-n1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID1591446,CCCOC(=O)c1ccc(NC(=O)c2ccccc2OC)cc1
+0.0,,,,,,,,,,,,,,,,,CID2568748,CCOc1cc(C(=O)OCc2ccc(C(=O)OC)o2)cc(Br)c1OC
+,,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID2877875,CSc1cccc(NC(=O)c2ccco2)c1
+,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,CID2201365,O=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)s1
+0.0,,,,0.0,,0.0,,,0.0,,,0.0,,,,,CID666723,Cc1ccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c2c1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID647967,CCCCC(CC)C(=O)NCc1ccccc1OC
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3239803,COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,,,0.0,0.0,CID1236748,CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1
+,,,0.0,,0.0,,0.0,,,,,0.0,,,,,CID1380790,Cc1c(/N=C/c2ccco2)n(Cc2ccccc2)c2ccccc12
+0.0,,,,,,,0.0,,,,,,,,,,CID3868449,COc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC
+,,,,,,0.0,,,,,,,,,0.0,,CID1247274,CCOC(=O)Cc1csc(NC(=O)c2ccc(C)o2)n1
+,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID666685,O=C1CCCc2nc3nc4ccccc4n3cc21
+,,,,,,,,,0.0,,,,,,,,CID858213,COC(=O)c1cccc(-n2[nH]nnc2=S)c1
+,,,,0.0,,,,,,,,,,,,,CID4015001,CCCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CCCC3=O)s1
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID3239695,COc1ccccc1Nc1ncc(C(=O)N2CCC(C(N)=O)CC2)c2ccccc12
+,,,,0.0,,,,0.0,,0.0,,,,0.0,0.0,,CID3239860,CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID746888,Cc1ccc(C(=O)N2CCc3ccccc32)cc1
+,,,,,,,,,,,,0.0,,,,,CID727725,O=c1c2ccccc2cnn1-c1nc2ccccc2s1
+,,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,CID1025592,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID666466,Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2868636,O=C(O)CC1=C(Nc2ccccc2)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID658404,CCc1c(C)c2nncn2[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID2460961,CCOC(=O)N1CCN(c2ccccc2O)CC1
+,,,,,,,,,,,0.0,,,,,,CID11957237,Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1F
+0.0,,,,,0.0,,,,,,,,,,,,CID3245879,Cc1nc2sc(C(c3cccc(F)c3)N3CCC(O)CC3)c(O)n2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID669871,COc1cc(SC)ccc1C(=O)Nc1nccs1
+,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,CID654181,O=C(Nc1ccc(CCC(=O)N2CCCC2)cc1)c1ncn[nH]1
+,,,,,,,,0.0,,,,,,,,,CID1269653,O=C(NCc1ccc2c(c1)OCO2)c1ccc(COc2cc(Cl)ccc2Cl)o1
+,,,,,,,,,,0.0,,,,,,,CID2838298,CC1C(C)C(O)(c2ccccc2)CCN1C
+,,,,,,,,0.0,,,,,,,,,CID1085323,CCOc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID101246,O=C1c2ccccc2C(=O)N1Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID4748623,Cc1ccc(-n2c(C(C)n3nc(C)c([N+](=O)[O-])c3C)n[nH]c2=S)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID2169547,COC(=O)c1sccc1NC(=O)c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID2155914,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID5307580,CCOC(=O)C1CCCN(c2c(Nc3cccc(C)c3)c(=O)c2=O)C1
+,,,,,,,,,,0.0,,,,,,,CID3907128,CN(CC(O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID7122815,COc1ccc2nc(N/C=C3/C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID1002229,O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1ccccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID591342,O=C(N/N=C/c1ccncc1)c1cccc([N+](=O)[O-])c1
+,,,0.0,,,,,,,0.0,,,,,,,CID2881724,CCCC(C)C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1468316,Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)N1CCCCC1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID648827,COc1ccc(-n2c(SCC#N)nnc2-c2cccnc2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID658450,O=C1C=C(N2CCN(C3=CC(=O)CCC3)CC2)CCC1
+,,,,,,,,,,,,,,0.0,,,CID1322742,Cc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID663572,CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2Cl)c1=N
+0.0,,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID725089,Cc1ccc(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID299417,COc1ccc(NC(=O)N2CCOCC2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID1076245,Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1220296,Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCCO4)c3ccccc3n2)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID655633,COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)c3ccccc3)n2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID743590,COc1ccc2nc(SCC(=O)c3ccco3)[nH]c2c1
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+,,,,,,,0.0,,,,,,,,,,CID5308908,COc1cccc(CNC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)c1
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+,,,,,,,,0.0,,,,,,,,,CID1907990,COCCCn1c(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs/c1=N\c1ccccc1
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+,0.0,,,,,,,0.0,,,,,,,0.0,,CID3246750,CC(Oc1cccc(Cl)c1)C(=O)Nc1cc(=O)n(C)c(=O)n1C
+,,,,,,,,,,,,,0.0,,,,CID4452007,O=C(COc1ncnc2ccccc12)Nc1ccccc1[N+](=O)[O-]
+0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID4235,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID3755333,CCOC(=O)c1nc(NCc2cccc(OC)c2)c2ccccc2n1
+,,,,,,,,,,,,,0.0,,,,CID590887,COc1ccc(C=O)cc1COc1ccc([N+](=O)[O-])c(C)c1
+,,0.0,,,,,,,,,,0.0,,,,,CID2122383,CCn1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccc(C)nc21
+,,,,,0.0,,,,,,,,,,,,CID1009418,COc1ccc(-c2csc(NC(=O)CCn3cnc4ccccc4c3=O)n2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID1357573,Cc1cc(/C=N/NC(=O)c2ccc(CN3CCOCC3)cc2)c(C)n1-c1ccccc1
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID5309968,CCOc1ccc(Oc2nc(NCC(C)C)nc(OC)n2)nn1
+,,,0.0,,,,,,,,,,,,0.0,,CID3238212,Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2C)c1
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+,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID648559,COc1ccc(CCNC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)cc1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID2998442,COCCn1c(SCC(=O)Nc2nc(C)c(Cl)cc2Cl)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2688837,CC(C)NC(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2
+,,,,,,,,,,,0.0,,0.0,,,,CID798768,NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID828759,O=C(Nc1ccccc1C(=O)N1CCNCC1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1484093,CCOC(=O)n1c(=O)n(Cc2c(Cl)cccc2Cl)c2ccccc21
+,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,CID757187,CC(=O)n1nc(-c2ccco2)nc1N
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+0.0,0.0,,,,,,,,,,,,,,,0.0,CID891770,Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1
+,0.0,0.0,,,,,,,,,,,,,,,CID649113,Cc1cnc(C(=O)Nc2ccccc2-n2cccc2)cn1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5309797,Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID2951883,Cn1c(Cc2ccccc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,CID755237,COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1
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+,,,,0.0,,,,0.0,,,,,,,,,CID2999876,O=S1(=O)CCC(SCc2nc3sccn3c2Br)C1
+,,0.0,,,,0.0,,,,,,,,,,,CID5389774,COc1cccc(Oc2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1
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+,,,,,,,,,,,,,,,,0.0,CID551685,CC(C)=CCC12CN3CCN(CC(C3)C1=O)C2
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+0.0,,,0.0,,0.0,,,,,,,,,0.0,,,CID651910,Cc1nnc(NC(=O)Cc2cccs2)s1
+,,0.0,,,0.0,,,0.0,0.0,,,,,,,,CID2362105,O=C(Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1)c1ccco1
+0.0,,,,,,,,,,,,,,,,,CID5307958,Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID959439,CCN(CC)c1ccc(NC(=O)c2c(OC)cccc2OC)c(C)c1
+0.0,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,CID2623466,N#CCSc1nnc(Cc2cccs2)n1C1CCCCC1
+,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,,CID662717,CC1(C)Cc2c(sc3c2C(=O)NC(c2cccnc2)N3)CO1
+,,,0.0,,,,,,,0.0,,0.0,,,,,CID644711,CCOC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(F)cc1
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID3240799,CCOC(=O)CSc1nc2ccccc2c(=O)n1CC1CCC(C(=O)NCc2ccco2)CC1
+,,,,0.0,,,,0.0,,,,,0.0,,0.0,,CID878340,COC(=O)c1c(O)ccc(Oc2ccccc2)c1C(=O)OC
+,,,,,,,,,0.0,,,,,,,,CID842012,COc1ccc(Cl)cc1C(=O)NCc1cnn(C)c1C
+,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID647596,COC(=O)c1ccc(Oc2nc(NC(C)C)nc(N(C)C)n2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2504960,Cc1cc(SCC(=O)NCCN2C(=O)CSC2=O)nc2c(C)cccc12
+,,0.0,,0.0,,,,0.0,,,,,0.0,,,,CID653733,CC(=O)Nc1sc(NC(=O)c2ccccc2)nc1-c1cccs1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244208,O=C1C2CCCN2C(c2ccc(Cl)cc2)N1c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1476924,COc1ccc(-c2ccnc3nc(N4CCOCC4)nn23)cc1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID2880364,CCC(C)NS(=O)(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID2844895,Cc1cc(C)c(OC2(c3ccccc3)OC(=O)c3ccccc32)c(C)c1
+,,0.0,,,,,,,,,,,,,,,CID5309369,Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1
+,,,,0.0,,0.0,,,,,,,,0.0,,0.0,CID3237922,COCCn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2cc(C(=O)OC)ccc21
+0.0,,,,,,,0.0,0.0,,,,0.0,,,,,CID2608253,COc1ccc2ccc(Oc3ncccn3)cc2c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2927566,Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccco3)o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3220884,O=C(CN1CCC(NC(=O)Cc2ccccc2)CC1)Nc1cccc2ccccc12
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID1247796,Cc1cc(NC(=O)c2cnn3cccnc23)n(-c2ccccc2)n1
+,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,CID754113,COc1ccccc1C(=O)n1nc(C)cc1C
+,,,,,,,,,,,,,0.0,,,,CID604128,CC1=CC(C)(C)N(S(=O)(=O)c2ccc(C)cc2)c2ccc(C)cc21
+,,0.0,,,,,,,,,,,,,,0.0,CID654437,O=C(CSc1nnc(-c2ccoc2)o1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1294764,COC(=O)c1cc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(F)cc2)ccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID5441054,CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccc([N+](=O)[O-])cc2)C1
+,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,0.0,CID653526,O=C(COC(=O)c1cccnc1)Nc1cccc(Cl)c1
+0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,,CID2224029,Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(Cl)cc3)n2)c1
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID851156,CNC(=O)c1[nH]cnc1C(=O)Nc1cccc(OC)c1
+,0.0,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,CID662114,CCOC(=O)COc1nc(Nc2ccccc2C)nc(N(C)C)n1
+,,,,,0.0,,,,,0.0,,,,,,,CID3912883,C=CCn1c(C)cc(C(=O)CN2C(=O)NC3(CCCc4ccccc43)C2=O)c1C
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID3558784,COc1ccc(CC(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)cc1
+,,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID745831,CCOc1ccc(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID2117728,Cc1cccc(NS(=O)(=O)c2cc(C(=O)OCC(=O)Nc3cc(C)on3)ccc2C)c1
+,,,,,,,,,,,0.0,,,,,,CID880469,COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2867473,O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Cl)c1
+,,,,,,,,,,,0.0,,,,,,CID5045199,O=C(CSCc1ccc(F)cc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1905942,CCCCc1c(O)n2ccccc2nc1=O
+,,,0.0,,,,,0.0,,,,,,,,,CID657875,CCOC(=O)C(O)(c1ccc(N)c(OC)c1)C(F)(F)F
+,,0.0,,0.0,,,,0.0,,0.0,,,,,,,CID3238763,CC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)Nc3ccc4c(c3)OCCO4)C(C)C)ccc21
+,,,,,,,,,,,,,0.0,,,,CID67001,CCN(c1ccccc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID3245661,CCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1
+0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID611858,O=C(Cn1c(-c2cncs2)nc2ccccc21)NCCc1ccccc1
+,0.0,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,,CID653552,CCCc1nc(SCC(=O)Nc2cc(C)on2)c2ccccc2n1
+,,,,,,,0.0,,,,,,,,,,CID5308721,O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
+0.0,,,0.0,,,0.0,0.0,,,,0.0,,,0.0,,0.0,CID664469,COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1
+,,,,,,0.0,,,,,,,,,,,CID5389490,COC1=CC=C/C(=C2\N=C(NC(C)(C)C)c3ccccc3N2)C1=O
+0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,,CID665618,CCN(CC)c1ccc(-c2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID705157,Cc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID5308723,COCCN1Cc2cccc(C(=O)NCc3ccccn3)c2C1=O
+,,,,,,,,,,,,,,0.0,,,CID2904408,CCOC(=O)C1CCCN(C(=O)c2cccc([N+](=O)[O-])c2C)C1
+,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,CID3236864,COc1ccc(NC(=O)Cn2cccc2)cc1Cl
+0.0,,,,,,,,,0.0,,,0.0,,,0.0,1.0,CID666259,Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccco3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2898209,Cc1ccc(NC(CNS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1
+0.0,,,,,,,,,,,,,0.0,,0.0,,CID5307167,O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)on1
+,,,,,,,,,,,,,,0.0,,,CID1459378,Cc1ccc(C(=O)N(Cc2cccnc2)Cc2cc3cc(C)ccc3n3nnnc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2866992,Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1
+,0.0,,,,,0.0,,0.0,,,,,,0.0,,,CID2229104,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
+,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID2999543,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
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+,0.0,,,,,,0.0,,0.0,,,0.0,,,,,CID3242672,O=C(CCN1C(=O)C2CC=CCC2C1=O)N1CCN(c2ccccn2)CC1
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+,,,,,,,,,,0.0,,,,,0.0,,CID665900,COc1ccc(Cl)cc1N1C(=O)C2ON=C(c3cccc(OC)c3OC)C2C1=O
+,,,,,0.0,,,,,,,,,,,,CID1310764,O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1F
+,,,,,0.0,,,,,,,,,,,,CID11958557,COC(=O)c1c(CSc2ccc(Cl)cc2)noc1C(=O)NCc1ccco1
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+0.0,,0.0,,,,,,,0.0,,,,,,,,CID659411,Cn1c(=O)c2c(nc(N3CCN(c4ccccc4)CC3)n2CCCc2ccccc2)n(C)c1=O
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+,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0,CID3244317,COCCNC(=O)c1sc2nc(-c3ccccc3)cn2c1C
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2999961,C=CCNC(=O)NC(=O)COC(=O)CCCSc1nc2ccccc2[nH]1
+,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,,,CID3237228,CC(=O)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
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+,,0.0,,,,,,,,,,,,,,,CID3243542,COc1ccc(CCNC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC
+,,,0.0,,,,,,,,0.0,,,,,,CID2155034,Cc1cccc(Nc2ncnc3nc[nH]c23)c1C
+0.0,,,,,,,,,0.0,,,,,,,,CID2905689,CCOc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1
+,,,,,,0.0,,,,0.0,,,0.0,,,0.0,CID656008,CC1CCC2(CC1)NC(=O)c1ccccc1O2
+,,,,,,,,,,,,,0.0,,,,CID2366729,COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccccc1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID651383,Cc1c(Cl)cccc1-n1nnnc1-c1cccs1
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID666452,COc1ccc(Cn2c(C)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID646728,CCCC(c1nnnn1CCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID656246,O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1077691,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID970312,CCSc1ccccc1C(=O)Nc1nncs1
+,,,,,,,,0.0,,,,,,,,,CID3189957,O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2cccs2)CC2CCCO2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3149828,CCCc1nnc(NC(=O)COC(=O)c2cc(C)nc3ccccc23)s1
+,,,,0.0,,,0.0,,,,,,,,,,CID3243869,COc1ccc(NC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)c(OC)c1
+,,0.0,0.0,,,,,,,,,,,,,,CID879370,CCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)O
+,,0.0,,,,0.0,,,,,0.0,0.0,,,,,CID237591,Cc1nc2ccccc2c(=O)n1N
+0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,CID806710,COc1ccc(-n2nc3cc(C)c(NC(=O)CC(C)C)cc3n2)cc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3236089,O=C(CCN1C(=O)C2CC=C(Cl)CC2C1=O)Nc1ccccc1O
+,,,,,0.0,,,,,,,,,,,,CID776295,COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cccc(OC)c2)c1
+,,,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,CID646360,CCOC(=O)C(CC)n1cnc2sc3c(c2c1=O)CCC3
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+,,,,,,,,,,,0.0,,,0.0,,,CID1171648,COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)cc2c1
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID651595,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3cccs3)n2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID4459714,CCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
+,,,,,,,,,,,,0.0,,,,,CID5771270,COc1cccc(C2C=C(c3cccs3)N=C3N=CNN32)c1OC
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID5058434,COC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)c2sc3nc(C)nn3c2O)CC1
+,,,,,,,,,,,,,,0.0,,,CID3167831,CCn1c(CNc2ccc(F)cc2)nnc1SCC#N
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID662762,COc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1S(=O)(=O)N1CCN(CCO)CC1
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+,,,,,,,,,0.0,,,,,,,,CID2841560,CC(=O)OC1c2c(ccc3ccc(=O)oc23)OC(C)(C)C1OC(=O)CC(C)C
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+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID3241504,CCOC(=O)N1CCC(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)CC1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID646920,O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCOCC1
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+,0.0,,0.0,,,,,,,,,,,,,,CID2876965,O=C(NCc1ccc2c(c1)OCO2)c1cccc(F)c1
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+,,,,,0.0,,,,,,,,,,,,CID1947308,CCCOc1cccc(-c2nnc(NC(=O)Nc3cccc(Cl)c3)s2)c1
+,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,0.0,,CID665060,O=S(=O)(CCCc1ccccc1)c1ncn[nH]1
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+,,,,,,,,,,0.0,,,,,,,CID1483104,COc1ccc(-c2nc3ccccc3n2OC(=O)N(C)C)cc1
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+,0.0,,,,,,,,0.0,,,,,,,,CID5308301,Cc1cc(C)n(-c2nc3ccccc3c3nc(C)nn23)n1
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID2282452,N#CCCN(Cc1cccnc1)C(=O)Nc1ccc(Cl)c(Cl)c1
+,,,,0.0,,,,,,,,0.0,,,,,CID649715,CC1CCCC(C)N1C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21
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+0.0,,,,,,,,,,,,,,,,,CID661989,COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21
+,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,CID660270,CCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C(=O)OCC)C(=O)N1
+,,,,,,,,,,,,0.0,,,,,CID3244215,c1ccc2c(c1)CCN(c1nc3cc4c(cc3s1)OCCO4)C2
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID645405,COc1cccc(N2CCN(CC(=O)Nc3nnc(-c4ccccc4)s3)CC2)c1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID889247,COc1ccc(-n2c(C)cc(C=O)c2C)cc1Cl
+,,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID651262,COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c(OC)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2193549,Cc1c(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cccc1C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1186038,CCOc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2941748,CC1CN(C(=O)c2ccc(COCC(F)(F)F)o2)CC(C)O1
+0.0,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,CID659708,Cc1ccc(OCc2nnc(NC(=O)c3ccco3)s2)c(C)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID1895639,O=C1C(=O)c2c(C(=O)c3ccccc3)coc2-c2ccccc21
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0,CID651224,O=C(NC1CC2CCCC(C1)N2C(=O)N1CCCCC1)C1CCCCC1
+,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,,CID653776,O=S1(=O)N=C(SCCO)c2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,,CID663707,Fc1ccc(CSc2ncnc3c2oc2ccccc23)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID16187451,CCn1ccnc1CN1CCc2c([nH]c3ccccc23)C1C(C)(C)C
+,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,CID2148451,CCOc1ccc2ccccc2c1C(=O)Nc1cc(=O)n(C)c(=O)n1C
+,,,,,,,,0.0,,,,,,,,0.0,CID2997729,CC(Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)NC(N)=O
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+,,,,,,,,,0.0,,,,,0.0,,,CID3243933,COCCN1C(=O)c2ccccc2C(C(=O)NCCN(C)C)C1c1ccc(F)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID654077,CCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1
+,,0.0,0.0,,,,,,,,,,,,,,CID2980696,O=C(N1CCOCC1)N1CCN(CC(O)COc2ccc3ccccc3c2)CC1
+,,,,0.0,,,,,,,,,,,,,CID704262,O=C(NCc1ccco1)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4087221,C/C(=N\NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cccnc1
+,,0.0,,,,,,,,,,,,,,0.0,CID644610,O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)NCc1ccco1
+,,,,,,0.0,,,0.0,0.0,0.0,,,,,,CID2317363,COc1ccccc1NC(=O)c1ccc(N)cc1
+,,,,,,,,,,,,,0.0,,,,CID894541,Cc1cccc(NC(=O)CC2c3ccccc3Oc3ccccc32)c1
+,,,,,,,,,,,,,,,,0.0,CID4132357,O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCN(c2ncccn2)CC1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID645812,COc1ccc(-n2nnnc2SCC(=O)NCc2ccco2)cc1OC
+,,,,,0.0,,,0.0,,,,,,,,,CID750722,COc1ccc(/C=C2\N=C(SC)SC2=O)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID2461363,CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1OCC
+0.0,,,,0.0,,,,,,,,,,,,,CID646281,COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID1488965,O=C(OCc1cncs1)c1ccccc1Cl
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID674174,COC(=O)C1=CNC=C(C(=O)OC)C1c1cccc(OC)c1
+,,,,,,,0.0,,,,,,,,,,CID5337433,CCCC1=N/C(=C2/C=CC=CC2=O)N(c2ccccc2)N1
+,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,CID2155337,CCOc1ccc(-n2c(SCC(N)=O)nc3c(c2=O)SCC3)cc1
+,0.0,,,,,,,,,,,,,,,,CID3238939,Cc1nc2ncnn2c(C)c1CCC(=O)Nc1csc(N)n1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID1214654,CC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1ccco1
+0.0,,,,0.0,0.0,,,0.0,,,,,,,,,CID2786572,Cn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID659904,COC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)o3)nc2c1Br
+,,,,,,,,,,,,,0.0,0.0,,,CID1735487,Cc1sc2ncnc(SCC(=O)N3c4ccccc4Sc4ccc(Cl)cc43)c2c1C
+,,,,,,0.0,,,,,,,,,,0.0,CID2555199,Cc1cc(-n2c(C)cc(C(=O)COC(=O)CNC3=NS(=O)(=O)c4ccccc43)c2C)no1
+,,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,CID665180,CCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
+,,,,,0.0,,,0.0,,,,,,,,,CID5389671,N#C/C(N=O)=C1/NC(c2ccccc2)=CS1
+,,,,,,0.0,,,,,,,,,0.0,,CID648186,Oc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID877218,CCc1cc2c(=O)n(N)c(CCC(=O)O)nc2s1
+,,,,,,,,,,,,,0.0,,,,CID2255031,CC(C)CNC(=S)NC(=O)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID2148463,Cn1c(NC(=O)c2cc(Cl)ccc2Cl)cc(=O)n(C)c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID2121884,Cc1cc(C(=O)CSc2nc(=O)cc(N)[nH]2)c(C)n1CCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1480506,COc1ccc(-c2[nH]c(-c3ccccc3)nc(=O)c2C#N)cc1
+,,,,,,,,,,,0.0,,,,,,CID2496787,Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(Br)cc12
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID645861,Cn1c(CNc2nc3ccccc3n2CCN2CCCCC2)nc2ccccc21
+0.0,,,0.0,0.0,0.0,,,,,,,,,,,,CID667069,COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4)CSC3=C2C#N)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID649952,Nc1nnc(CCN2CCCCC2)s1
+,,,,,,,,,,0.0,0.0,,,,,,CID2945339,CC(Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)C(=O)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID70385,O=c1oc2ccccc2cc1-c1ccccc1
+,,,,0.0,,,,,,,,,,,0.0,,CID1354022,O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID4876732,CCC(C)N(C(=O)CSc1ccc(NC(C)=O)cc1)C1CCS(=O)(=O)C1
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,,CID5307579,CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)CC1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID645259,O=C(C1CC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)NCC4CCCO4)cc3)no2)CC1
+,,,,0.0,0.0,,0.0,0.0,,,,,,,,,CID663381,COc1ccc(-c2nc(C#N)c(NCC3CCCO3)o2)cc1OC
+,,,,,,,,,,0.0,,,,0.0,,,CID1842494,Cc1cccc(-c2noc(CCC(=O)NCc3ccco3)n2)c1
+,,,,,,,,,,,,0.0,,,,0.0,CID2970406,Cc1noc(C)c1C(=O)NC(C)C1CCCO1
+,,,,,,0.0,,,,,0.0,,,,,,CID2162873,CCCCc1ccc(NC(=O)COCC)cc1
+,,,,,,,0.0,,,,,,,,,,CID661375,CN1CCc2c(n(CC(O)CN3C(=O)c4ccccc4S3(=O)=O)c3ccccc23)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2101788,COc1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1
+,,,,,,,,,0.0,,,,,,,,CID651764,COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)N2CCOCC2)cc1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID753517,Nc1nc(CN2CCCCCC2)nc(Nc2ccc(F)cc2)n1
+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID1483856,Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(CC(C)C)c1=O
+,,,,,,,,,,0.0,,,,,,,CID3180819,O=C(CN(Cc1ccccc1Cl)C(=O)c1ccc(CN2CCOCC2)o1)NCC1CCCO1
+,,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,,,CID666795,Cc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1
+,,,,0.0,,,,,,,0.0,,,,,,CID2209082,COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C(F)(F)F)c1
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID235438,CN1CCN(C(=O)Nc2cccc3ccccc23)CC1
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+,,,,,,,0.0,,,,,,,,,,CID763581,CC(=O)Nc1cc2ccc(OC(C)=O)cc2oc1=O
+,,,,,,,,,,,,,,,0.0,,CID658324,CC1(C)NC(=O)NC2(C)NC(=O)NC(C)(C)C12
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+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID1239703,CCc1nnc(NC(=O)CSc2nc3c(cc2C#N)CCCC3)s1
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+,,,,,,,,,,,0.0,,,,,,CID1294802,CCOc1cc(C(=S)N2CCCC2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C
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+,0.0,,,0.0,,,,,,,,,,,,,CID315109,c1ccc(-c2nnc(-c3ccccn3)nn2)nc1
+,,0.0,,,,,0.0,,,,,,,,,,CID3551653,CCC1Oc2ccc(C)cc2N(CC(=O)NCCc2ccc(OC)c(OC)c2)C1=O
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+,,,,,,,,,,0.0,,,0.0,0.0,,,CID851595,O=C(CSC1=NCCS1)N1CCN(c2ccccc2)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID2236829,COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID884612,O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cn1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID655630,CC1CCCC(C)N1C(=O)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID652359,O=c1nc(C2CCCN(S(=O)(=O)c3ccccc3)C2)nc2n(Cc3ccccc3)[nH]nc1-2
+,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,CID648239,CCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
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+,,,,,,,,,,,,,,,0.0,,CID3878,Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
+,,0.0,,0.0,,,,,,,,,,,,,CID645092,COc1ccc(OC)c(C(=O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1
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+,,,,,,,,0.0,,,,,,,,,CID780492,Cc1ccc(OC(=O)C(F)(F)F)c2c1NCCC2
+,,,,,0.0,,,,,,,,,,,,CID1778113,COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID16195563,CC(=O)c1ccc(NC(=O)CSc2ccsc2[N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID657447,CC1(C)N(O)C2CCCCC2N1O
+,,,,,,,,,0.0,,,,0.0,,,,CID608763,CC(=O)Oc1ccc2oc3c(c2c1)C(=O)CCC3
+,,,,,,,,0.0,,,,,,,,,CID847090,CCS(=O)CCSc1nc2ccccc2s1
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+,,,,,,0.0,0.0,,0.0,0.0,,,,,,,CID672465,CCOC(=O)CSc1nc2ccccc2n1C(=O)OCC
+,,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,,CID3237899,CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CCS(=O)(=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID5323344,CCCCNC(=O)C1CCC(CNS(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID12005070,COC(=O)c1cc(NC(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(C(=O)OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1603830,COc1ccccc1/C=C/C=N/n1c(-c2ccncc2)n[nH]c1=S
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID3236605,COc1ccc(CCn2c(=S)[nH]c3cc(C(=O)NCc4ccco4)ccc3c2=O)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID686982,O=C(Nc1cccc2ccccc12)/C(Cl)=C/c1ccccc1
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID655561,CC(=O)Nc1ccc(NC(=O)CN2CCCC(C)C2)c(Cl)c1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID797772,Cc1ccc(-c2ccc(CCC(=O)O)o2)cc1
+,,,,,,0.0,,,,,,,,,,,CID2876902,O=C(O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID650560,COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)c2ccccc2)cc1OC
+0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID646748,COc1cccc(-c2csc(N3CCN(C(=O)C4CCCCC4)CC3)n2)c1
+0.0,,,,,,,,0.0,0.0,,,,,0.0,,,CID2998403,Cc1nc2ccccn2c1C(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID11957143,Cc1ccc(C2=NN=C(N)/C2=N/Nc2ccccc2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID1083179,O=Cc1c(NCc2ccco2)nc2ccccn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1486841,Nc1ccc(C(=O)N2CCCC2)cc1CS(=O)(=O)c1ccc(Cl)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5344301,COC1=C/C(=C/Nn2c(SC)nnc(C(C)(C)C)c2=O)C=CC1=O
+,,,,,,,,,,,,,0.0,,,,CID1880209,CCN1C(=O)/C(=C\c2ccc3c(c2)OCO3)C(C(=O)OC)=C1C
+,,,,,,,,,,,0.0,,,,,,CID2956445,CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cc(C)cc1c32
+,,,,,,,0.0,,,,,,,,0.0,,CID3243638,CCOC(=O)N1CCN(C(=O)C2CCN(c3ncnc4c3sc3cccc(F)c34)CC2)CC1
+,,,,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,CID662362,CN(C)c1ccc(CN(C(=O)c2ccco2)C2CCS(=O)(=O)C2)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID653116,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1108359,Cc1cccnc1NC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ncccc1C
+,,,,,,,,,0.0,,,,,,,,CID6624355,C=CCn1cc(C(=O)OC)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21
+,,0.0,,,,,,,,,,0.0,,,,,CID653825,Cn1nnc2cc(C(=O)N3CCCCCC3)ccc21
+0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,0.0,CID3239085,O=c1cc(N2CCC(Cc3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID773811,CC1(C)Oc2nc3ccccc3n2/C1=C\C#N
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID2997670,CCCc1cc(=O)nc(SCC(=O)N(C)C2CCS(=O)(=O)C2)[nH]1
+,,,,,,0.0,,,,,,,,0.0,,,CID5004011,COc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID3241635,O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3F)c2c1=O)N1CCC2(CC1)OCCO2
+,,,0.0,,,,,,,,,,,,0.0,,CID4652294,Cc1nc2sc(C(c3ccccc3)N3CCN(CCO)CC3)c(O)n2n1
+,,,,,,,,,,,,,0.0,,,,CID2787619,CC(=O)c1sc(N/N=C/c2ccc(Br)cc2)nc1C
+,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,,CID644455,COc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID654096,CCCC(=O)Nc1ccccc1N1CCN(C(=O)C(C)C)CC1
+,,,,,,,,,,,,,,0.0,,,CID3656976,Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccccc1C(=O)O)c1c(C)[nH]n(-c2ccccc2)c1=O
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID648112,CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCN1CCOCC1
+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID763998,CCOC(=O)C1CCN(Cc2ccc(N(C)C)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID766932,Cc1cc(C)c(S(=O)(=O)N2CCCC2=O)c(C)c1
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+,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,CID700113,Cc1ccc(N2CCN(S(=O)(=O)N(C)C)CC2)cc1Cl
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+,0.0,,0.0,,,,,0.0,,,,,,,0.0,,CID662446,Cc1csc(SCCn2c(N3CCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1
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+0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0,CID2225398,O=C(NCCCN1CCOCC1)c1ccc(Br)s1
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+,,,,,0.0,,,,,,,,0.0,,,,CID574268,COc1ccc(NC(=O)c2cccs2)c([N+](=O)[O-])c1
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+,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID2937826,O=C(CC1SC2=NCCN2C1=O)Nc1ccc(Cl)cc1
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+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID646642,Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(C)on3)n2C)c1
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+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3235667,COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C
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+0.0,,,,,,,,0.0,,,,,,,,,CID2849233,O=C(O)C1CCCN1C(=O)c1cncc(Br)c1
+,0.0,,,,,,,0.0,,0.0,0.0,,,,,,CID3240798,CCOC(=O)N1CCC(NC(=O)C2CCC(Cn3c(=O)[nH]c4ccccc4c3=O)CC2)CC1
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+,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,,CID664901,Cc1cccc2cc3c(NC(=O)C(C)C)nn(C)c3nc12
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+,,,,,,,,,,,,,0.0,,,,CID2133503,O=C1c2ccncc2C(=O)N1CNc1ccc(Cl)cc1
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+,,0.0,,,,,,,,,,,,,,,CID660205,CCOC(=O)COn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID576325,O=S(=O)(c1ccccc1)N1CC1c1ccccc1
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+,,0.0,,,,,,,,,0.0,,,,,,CID646745,COCCn1nnnc1CN(CCc1ccc(OC)c(OC)c1)Cc1cc2ccc(C)cc2[nH]c1=O
+,0.0,,,,,,,,0.0,,,,,,,,CID660481,COc1cc(/C=N/n2c(C)nnc2C)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID3151179,CCCCNC(=O)C1CCN(Cc2ccccn2)CC1
+,,,,,,,,,,,,,,,0.0,,CID1911034,CCO/C=C/C(=O)N(C)CCC#N
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID573250,Cc1occc1C(=O)OCC(=O)Nc1ccc(F)cc1
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+,,,,,0.0,,0.0,,,,0.0,,,,,,CID5310017,COC(=O)c1ccsc1NC(=O)C1COc2ccccc2O1
+,,,,,,,,,,,,,,0.0,,,CID2379341,O=C(COC(=O)c1cccs1)Nc1nc(-c2ccccc2)cs1
+,,,,,,,,,,,0.0,,,,,,CID1090904,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(F)cc1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID1247123,O=C(NC1CCCCC1)N1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4069311,C/C(=N\NC(=O)c1ccccc1)c1ccc(NC(=O)c2cccs2)cc1
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+,,0.0,,0.0,,,,,,,,0.0,,,,,CID645757,COC(=O)CCN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1
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+,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,0.0,CID664183,CC(C)c1nnc(NC(=O)CCC(=O)NCc2ccc3c(c2)OCO3)s1
+,,,,,0.0,,,,,,,,,,,,CID2295422,O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)C1CCCCC1
+,,,,,,,,,,,0.0,0.0,,,,,CID3241673,CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1
+,,,,,,,,,0.0,,,,,,,,CID2197499,C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID661157,COC(=O)c1cc(Br)c(=O)n(Cc2ccc(C(=O)O)cc2)c1
+,,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,CID2129003,COCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccccc3)c2C)c1C
+,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID2407875,CCCc1cc(=O)nc(SCC(=O)Nc2ccc(OC(F)F)cc2)[nH]1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID645964,CCN1CCN(Cc2c(C)[nH]c3ccc(OC)cc3c2=O)CC1
+0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,CID645084,CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID2999179,Cc1cc2nnc(SC3CCOC3=O)n2c2ccccc12
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID2966410,O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(O)cc2)C1
+,,,,,,,,,,,0.0,,,,,,CID802492,O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2)CC1
+,0.0,,,,,,,,,,,0.0,0.0,,,0.0,CID584778,O=C(O)c1cccc(COc2ccccc2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1480703,Cc1c(CCO)c(=O)n(C)n1C(=O)c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID3129659,CCCC(C1=C(O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O
+,0.0,,,,,,,,,,0.0,,,,,,CID662970,Cc1cc(C)n2nc3nc4c(cc3c2n1)CCCC4
+,,0.0,,,,,0.0,,,,,,,,,,CID3238749,CCN(CCCNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID663348,O=C(N1CCOCC1)C(F)(F)S(=O)(=O)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,0.0,,CID596777,CCOC(=O)C1CCN(C(=O)c2ccc(OC)cc2OC)CC1
+0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID667204,COc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCOCC2)n3C)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2598918,Cc1ccccc1NC(=O)c1ccc2c(c1)C(=O)N(CCC(C)C)C2=O
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+,,,,,,,,0.0,,,,,,,,,CID2962127,CC1=C(C#N)C(Nc2ccc(C)cn2)(C(F)(F)F)C(=O)N1
+,,,,,,,,0.0,,0.0,,,,,,,CID3221353,CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1
+,,,,,,,,,,0.0,0.0,,,,,,CID860582,O=C(NCc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID4578939,CCN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1N)C1CCS(=O)(=O)C1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID661207,COC(=O)c1cc(Br)c(=O)n(CCN2CCOCC2)c1
+,0.0,,,,0.0,,,,,,,,,,,,CID5307292,Cn1c(C(=O)NCCCN2CCCC2=O)cc2c(=O)n(C)c3ccccc3c21
+,,,,,,,,,,0.0,,,,,,,CID9551261,O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCc1ccco1
+,,,,0.0,,,,,,,,0.0,,,,,CID3245994,CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1-c1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2232111,COc1ccc(NC(=O)CSc2nnc(CCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2642676,O=C(CSc1nccc(=O)[nH]1)Nc1ccccc1Sc1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3238912,CCn1ccc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)n1
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+,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID660846,CCOc1ccc(/N=C(/NC#N)SCC(=O)NC2CC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID780981,Cc1ccccc1-c1cc2nc(-c3ccc([N+](=O)[O-])cc3)cc(=O)n2[nH]1
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+,0.0,0.0,,,,,0.0,,,,,,,,,,CID5307901,O=c1c2ccccc2nc(N2CCN(c3ccccc3)CC2)n1Cc1ccccc1
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+,0.0,,,,,,,,,,,,,,,0.0,CID1279860,COc1ccccc1N1CCN(S(=O)(=O)c2cccc(F)c2)CC1
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+,0.0,,,,,,,,,,,0.0,,,,,CID655907,O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1nc2ccccc2[nH]1
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+,,,,,,,,,,0.0,,,,,,,CID6087362,CCOC(=O)/C(=C/Nc1cc(C)nn1-c1ccccc1)C(C)=O
+,,,,,,,,,,,,,,0.0,,,CID1632978,NC(=O)NC(=O)CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID1487451,N#Cc1c(-c2ccccc2)ccn(Cc2cccc(Cl)c2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2960428,COC(=O)c1ccc(C2C(Oc3ccccc3)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID1767297,CCc1c(C(=O)NNC(=S)NCC(C)C)csc1C
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+0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,CID2091869,COc1ccc(-n2cnnc2SCC(=O)c2cc(C)n(Cc3cccs3)c2C)cc1
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+,,,,0.0,,,0.0,,,,,,,,,,CID970485,CCSc1ccccc1C(=O)Nc1cccc(OC)c1
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+,,,,,,,,,,,,,,0.0,,,CID832004,Cc1ccc(NC(=O)c2ccn(C)n2)c(Br)c1
+,,,,0.0,,,,,,,,,,,0.0,,CID1245853,CCC(=O)Nc1sccc1C(=O)OC
+,,0.0,,,,,,,,,,0.0,0.0,,0.0,,CID664209,CCc1nc(NCCCN2CCOCC2)c2oc3ccccc3c2n1
+,,,0.0,,,0.0,,,,,,,,,,,CID652029,Cc1cc(NC(=O)CCCC(=O)O)nc(C)n1
+,,,,,0.0,,,,,,,,,,,,CID2888622,CC(C)Oc1ccc(C(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
+,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID1094096,O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)CCCC2
+,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID646504,Cc1ccc(NC(=O)Cn2nc(C)cc2C)cc1
+,,0.0,,,,,,,,,,,,,,,CID648977,CCCCOc1ccc(C(O)(CCC)CCN2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID843691,Cc1cccc(NC(=S)NNC(=O)c2csc(C)c2)c1
+,,,,,,,,,,,0.0,0.0,,,,,CID208296,O=c1nc(-c2ccccc2)cn[nH]1
+0.0,,,,,,,,,,,,,,,,,CID650429,O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)NCc1ccco1
+,,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,CID2970353,Cc1cc(C(=O)NC(C)c2ccncc2)cs1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID2206420,O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3222448,O=C(NC1CCCCC1)C(c1cccnc1)N(C(=O)c1csnn1)C1CCCC1
+,,,,,,,0.0,,,,,,,,,,CID662472,CCOc1ccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID976268,CC(C)COC(=O)Nc1nnc(SCc2ccccc2F)s1
+0.0,,,,,,,,,,,,0.0,,,,,CID2973294,COc1cc(OC)c(C2=NOC(C(=O)Nc3c(C)nn(CC(=O)N4CCCC4)c3C)C2)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID896021,CCn1ncc(CNC(=O)c2cccc([N+](=O)[O-])c2)c1C
+,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID3236938,Cc1ccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)cc1
+0.0,0.0,,,,0.0,,,,,,,0.0,,,,0.0,CID5309607,COc1cccc(NC2c3ccccc3C(=O)N2Cc2ccco2)c1
+,,,,0.0,0.0,,,,,,0.0,0.0,,,0.0,0.0,CID880829,CC(=O)c1c(N2CCCCC2)nc(=S)n(Cc2ccccc2)c1C
+,,,,,,,,,0.0,,,,0.0,,,,CID884010,COc1ccc(C(=O)c2ccc(Cl)cc2Cl)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1304656,O=C(CSc1nc2ccccc2n1S(=O)(=O)c1ccccc1)N1CCCC1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID3156949,CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(OC)cc3)CC2)cc1
+,,,,,,0.0,,,,,,,0.0,,0.0,0.0,CID4292590,COc1ccc(OC)c(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)c1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID3237137,CC(C)(C)n1ncc2c(=O)n(CC(=O)OCc3ccccc3)cnc21
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID1081526,Cc1ccc(OCC(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)cc1
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3000137,Cc1ccc(/C(COc2ccccc2O)=N/O)cc1
+,,,,,,,0.0,,,,,,,0.0,,0.0,CID752262,O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCCC1
+,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,0.0,,CID652194,CCc1nnc(SCC(=O)Nc2ccccc2)nc1CC
+,,,,,,,,,,,,,0.0,0.0,,,CID1944452,COC(=O)c1cc(NC(=S)NCc2ccc(Cl)cc2)cc(C(=O)OC)c1
+,,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0,CID2999363,O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,,,CID5769617,CC1=CC2=c3cc(C)ccc3=NC(c3ccc4c(c3)OCO4)N2N1
+,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,CID2997645,Cc1ccc(C)c(-c2nnc(OCC(=O)Nc3cc(C)on3)c3ccccc23)c1
+,,,,,,,,,,0.0,,,,,,,CID2834674,COc1ccc(OC)c(C(O)c2coc3ccc(O)c(CN(C)C)c23)c1
+,,,,,0.0,,,,,,,,,,,,CID2869169,CCn1cc(C=C2C(=O)NC(=O)NC2=O)c2ccccc21
+0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,CID649740,O=C(CSc1nnc2scc(-c3ccc(F)cc3)n12)NCc1ccco1
+0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0,0.0,CID2941207,CCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID2306902,CCS(=O)(=O)/N=C(\N)c1ccccc1
+,0.0,,0.0,,,,,,0.0,,,,0.0,,,,CID310129,CC1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID776673,CC1(C)Cc2c(C#N)c(N)sc(=S)c2CS1
+,,,,,,,,,,,,,,0.0,,,CID1490753,CC(C)(C)c1csc(N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2524858,COc1cc2[nH]c(CSc3nc(-c4ccc(F)cc4)cs3)nc(=O)c2cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID2030331,COc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID1254963,CN(Cc1nc(-c2ccncc2)no1)S(=O)(=O)c1ccc(Br)cc1
+,,,,,,0.0,,,0.0,,,,,,,,CID3243694,Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCC3CCCO3)ccc2n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID4077604,O=C(NCC1CCCO1)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1
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+,,,,,,,,,,,,,,0.0,,,CID16003924,Cc1ccccc1NC(=O)Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21
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+,0.0,,,0.0,,,,,,,,,,,,,CID3244460,CCOCCCNC(=O)C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1
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+,,,0.0,,,,,0.0,,,,0.0,,,,,CID714396,O=C(Cn1cnc2ccccc2c1=O)Nc1ccc2c(c1)OCCO2
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+,0.0,,,0.0,,,,,0.0,,,,,0.0,,0.0,CID2380034,O=C(Nc1cnc2sccn2c1=O)c1ccccc1Cl
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+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID889639,Cn1cnc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2C
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+,,,,,,,,0.0,,,,,,,,,CID2942218,Cn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2223577,C=CCn1ncc(OC)c(Cl)c1=O
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+,,0.0,,,,,,,,,0.0,,,,0.0,,CID1986769,CCCCCc1c(C)[nH]c(N2CCc3ccccc3C2)nc1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID657908,CCOC(=O)C(NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F
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+,,,,,,,,,,,,,0.0,,,,CID6038790,COc1ccc(/C=C/c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1
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+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID666143,Nc1ccccc1OCCOCCOCCOc1ccccc1N
+,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID664389,CCCCn1c2nc3ccccc3nc2c2c(=O)n(CCC)cnc21
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,CID686268,O=c1ncnc2[nH]n(-c3ccccc3)nc1-2
+,,0.0,,,,,,,,,0.0,,,,,,CID3239670,COC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OC
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+,,,,,,,,,0.0,,,,,,,,CID668468,Oc1ccc2ccccc2c1C1Nc2cccc3cccc(c23)N1
+0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,0.0,CID651471,CCCCn1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID3244502,O=C(CCCn1ncn2c(cc3occc32)c1=O)N1CCc2ccccc2C1
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+,,,,,,,,,,,0.0,,,,,,CID1187421,Brc1ccc2ncnc(Nc3cccc4ccccc34)c2c1
+,,0.0,,,0.0,,,,,,,,,,,,CID649972,COc1ccc(-c2nnn(CC(=O)c3ccccc3)n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2302414,CCn1c(C)nc2cc(OC)ccc21
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+,,,,,,,,,,,,,,0.0,,,CID2948512,O=C(c1ccco1)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1
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+,0.0,,,,,,,,,,,,,,,,CID5310220,Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccccc3)cn12
+,,0.0,,,,,,,,,,,,,,,CID5389654,O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\NCCN1CCNCC1
+0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,CID664961,Cc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2Cc2ccco2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2997727,O=C(Nc1nc(-c2ccccc2)cs1)C1CCCCN1S(=O)(=O)c1ccccc1
+0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID3240083,O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID5308141,COC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12
+0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,,,CID663887,Clc1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID3239403,COc1ccc(NC(=O)C2CCCN2C(=O)OCc2ccccc2)c(OC)c1
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID866989,CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2Cl)c1C
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+,,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,CID1305266,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2173195,COc1ccc(Cl)cc1NC(=O)CCNC(=O)OCc1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,,CID1560373,CCCCN(CC)Cc1c(C)[nH]c2ccccc2c1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID1103489,O=C(COc1ccc2ccccc2c1)NNC(=O)Cc1cccc2ccccc12
+0.0,,,,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,CID2402619,CCCc1cc(=O)nc(SCC(=O)CSc2nc(=O)cc(CCC)[nH]2)[nH]1
+,,,,,,,,,,0.0,0.0,,,,,0.0,CID667318,Cc1c(-c2nc(N)nc(Nc3ccccc3F)n2)oc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2079173,Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1
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+,0.0,,,,,0.0,,,,0.0,,,,,,,CID663982,O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc43)ncc21
+,,,,,,,,,,,0.0,,,,,,CID850473,Cc1ccccc1NC(=O)c1onc2c1CCCC2
+,,,,,,,,,0.0,,,,,,,,CID869087,O=C1C(=CNCc2ccncc2)C(=O)c2ccccc21
+,,,,,,,,,,0.0,0.0,,,,,,CID2936930,CCN(CC)c1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)cc1
+,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID656373,CCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC
+,,,0.0,0.0,0.0,,,,,,,,,,,,CID3240154,COC(=O)c1cc2sccc2n1CC(=O)Nc1cc(OC)cc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2554286,COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)N(CC(C)C)CC(C)C)c1OC
+,,,,0.0,,,,,,,,0.0,,,,,CID644480,CC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1
+,,,,,,,,,,,,,0.0,,,,CID770368,O=C(Cn1nnc2ccccc21)N/N=C/c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID5769126,COc1ccccc1N/C=c1/c(C)c(C#N)c2nc3ccccc3n2c1=O
+,,,,,,,,,0.0,0.0,0.0,,,,0.0,,CID766509,CCOC(=O)c1c(Nc2ccccc2N)cc(C)nc1C
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID3237820,O=C(CCCCCNS(=O)(=O)c1ccc(Br)cc1)NCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID16187535,CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2cnc(C)s2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID1017003,CC(C)C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1
+,,,,,,,,,,,,,,,0.0,,CID653397,CCCCCNC(=O)Cc1ccc(OC)cc1
+,,,,,,0.0,0.0,,,,,,0.0,,0.0,,CID2092000,O=C(OCc1nnc(-c2ccccc2)o1)C1=COCCO1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,,CID2248058,Cc1c(N/C=C/C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C
+0.0,,,,,0.0,,,,,,,0.0,,,,0.0,CID3237440,CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2)n1C1CCCCC1
+,,,,,,,,,,0.0,,,0.0,,,,CID4062061,Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C)CC1
+,,,,0.0,,,,,,,,,,,,,CID2191946,Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1-c1ccccc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2217799,C=CCNC(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O
+,,0.0,,0.0,,,0.0,,0.0,,,,,,,,CID663429,COc1ccc(S(=O)(=O)N2CN(Cc3ccco3)c3nc4ccccc4nc32)cc1
+,0.0,,,,,,,,,,,,,,,,CID5310751,Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2cccnc2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID3179889,CCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C1CCCC1
+,,,,,,,,,,,,0.0,,,,,CID3241345,CCOC(=O)N1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2255302,CCCCCCCCCSc1n[nH]c(N)n1
+,,,,,,,,,,,,,,0.0,,,CID749709,CCOC(=O)c1cc(CC)sc1/N=C/C1C(=O)CCCC1=O
+,,,0.0,,0.0,,,,0.0,,0.0,,,,,,CID4896058,COc1ccc(N2CSC3=C(C#N)C(c4cc(OC)ccc4OC)CC(=O)N3C2)c(OC)c1
+,,0.0,,,0.0,0.0,,,0.0,,,,,,,,CID32475,O=C1C2=C(SCCS2)C(=O)N1c1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,,CID3239887,CCCCNC(=O)c1c(C)cc(=O)oc1C
+,,,0.0,,,,,,,,0.0,,,,,,CID2582372,CN(C)CCCNC(=O)CCC1CCCCC1
+,,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,CID2307952,CN1C(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID1370566,O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID776834,Cc1c(C(=O)O)cccc1-n1c(C)ccc1C
+,,,,,,,0.0,,,,,,,,,,CID6324536,Cc1cc(N2CCOCC2)[nH]c2cc(=O)ccc1-2
+,,,,0.0,,,,,,,0.0,,,,,,CID2589475,C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(C)c(C)c2c1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID3133090,Cc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID2335294,CCOC(=O)c1nc(S(C)(=O)=O)ncc1N1CCOCC1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID2532534,Cc1ccc(CNC(=O)CCCNC(=O)c2ccc(Cl)cc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID1090745,O=C(CN1CCOCC1)Nc1ncc(Cc2ccccc2Cl)s1
+,,,,,,,,,,,,,,0.0,,,CID3890901,Cc1ccc(NC(=O)C2(NC(=O)c3cccc(N4C(=O)CSC4c4ccccc4)c3)CCCCC2)cc1
+,,,0.0,,,,,,,,,0.0,,0.0,,,CID5770870,COc1ccc2[nH]c3nc(SC(C)C)nnc3c2c1
+,,,,,,0.0,,,,,,,,,,,CID2949919,CCSc1cc(C2C(C(=O)OC)=C(C)NC3=C2C(=O)CCC3)c(C)o1
+,,,,,,,,,,0.0,,0.0,,,,,CID2106979,O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1849004,O=C1NC(=S)S/C1=C/c1ccc(N2CCOCC2)o1
+,,0.0,,,,,,,0.0,,,0.0,0.0,,,,CID2053786,CCOc1ccccc1NS(=O)(=O)c1cccs1
+,,,,,,0.0,,,,,,,,,,,CID5771454,CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2cccs2)N2NN=NC2=N1
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID2857416,COc1ccc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc1OC
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID3243904,O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCCC2)C1
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID2998634,CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(C#N)c1
+,,,,,,,,,,,,,,0.0,,,CID794662,Cn1c(=O)c2[nH]c(-c3ccccc3Cl)c(O)c2n(C)c1=O
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID658261,O=c1c2c3c(sc2n2cnnc2n1C1CCCCC1)CCC3
+,,0.0,,,,,,,,,,,,,,,CID3242707,COc1ccc(OC)c(C2=NOC(C(=O)NCCN3CCOCC3)C2)c1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID2218468,COCCSc1ccccc1C(=O)Nc1nnc(C)s1
+0.0,,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,CID649099,CCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3201821,Cc1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3nc4ccccc4s3)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1242567,COc1ccc(N(C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1
+,,,,,,,,,,0.0,,,,,,,CID2205117,COc1ccc(CC(=O)n2nc(-c3ccc(Cl)cc3)nc2NCc2ccco2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3113581,O=C(NCCCn1ccnc1)C(=O)NCc1ccccc1
+,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,CID1246519,CCOC(=O)Cc1csc(NC(=O)c2csc3c2CCCC3)n1
+,,,,,,,,0.0,,,,,,,,,CID1221829,Cn1ncc(Br)c1C(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1
+0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,CID1246228,Cc1sc(NC(=O)c2oc3ccccc3c2C)c(C#N)c1C
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5307713,CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3ncccc32)CC1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID2976929,CCOC(=O)N1CCN(C(=O)CNC(=O)Cc2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,0.0,,CID3441571,C/N=C1/SC(CC(=O)Nc2ccccc2F)C(=O)N1C
+,0.0,,,,,,,,,,,,,,,,CID4607153,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(Cc3ccccc3)CC1)n2CCSc1ncccn1
+,,,0.0,,,,,,,,,,,,,,CID649881,CCCn1c(N2CCN(CC(=O)NCc3cccs3)CC2)nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1015782,COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1
+0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID3237883,Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCOCC2)cc1
+,,,,,,,,0.0,,,,0.0,,,,,CID5309006,CCCN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID666807,Cc1cc(C)c2c(n1)nn1c(N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc21
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID852715,CCc1ccc2oc(C(=O)NCc3ccncc3)c(C)c2c1
+,,,0.0,,,,,,,,0.0,,,,,,CID702440,[O-]/[N+](=C\c1ccc(OC(F)F)cc1)c1ccccc1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID645635,COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)cc(OC)c1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID1092666,CC(C)NC(=O)c1ccc(OC2CSC2)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID6324575,COc1ccc(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)c5ccccc5)C4)nc2-3)cc1
+,,,,,,,,,0.0,,,,,,,,CID657962,N#CC1=C(N)NC(SCC(=O)O)=C(C#N)C12CCCC2
+,,,,,0.0,,,,,,,,,,,,CID868466,O=C(Cc1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID733362,CCOC(=O)COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID664622,CCOC(=O)CC(=O)CSc1nc(C)nc2c1oc1ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1244908,Cc1ccc(-c2cc(C)nc3nc(N)nn23)cc1
+,,,,,,,,,,,,0.0,,,,,CID5310155,COc1ccc(Cl)cc1C(=O)NCc1cn2c(C)csc2n1
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID651557,Cc1cccc(Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID562408,CC1CN=C(N(Cc2ccccc2)C(=O)Nc2ccccc2)S1
+,,,,,,,,0.0,,,,,,,,,CID683802,Cc1cc(C(F)(F)F)c2c(n1)sc1c(=O)cc(O)[nH]c12
+,,0.0,,,,,,,,,0.0,0.0,,,0.0,,CID757184,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2C)CC1
+,,,,,0.0,,,,,,,,,,,,CID5291977,O=C1Oc2ccccc2C(=O)/C1=C/c1c[nH]c2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID864526,NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID5673587,O=C(/C=C/c1cccc(F)c1)N(c1ccccn1)C1CCCCC1
+,,,,,,,,,,0.0,0.0,,,,,,CID3734129,CNC(=S)N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC)CC1C
+,,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID2998852,CC(C)CN(C(=O)COC(=O)CCc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1
+0.0,,,,,0.0,0.0,,,,,,0.0,,,0.0,,CID666468,CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1
+,,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID3241359,O=C(NCc1ccccc1)c1cc(-c2ccco2)on1
+,,,,,0.0,,,,,,,,,,,,CID5349510,O=C1C(=O)N(c2nccs2)C(c2cccs2)/C1=C(\O)c1ccc(Cl)cc1
+1.0,,,,,,,,,,,,,,,,,CID5770889,O=C(Nc1nc2c(s1)CCCC2)C1=CC2=NC(C3CC3)CC(C(F)(F)F)N2N1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID3236423,Brc1ccc(-c2cn3cccnc3n2)cc1
+,,,,0.0,,,,,,,0.0,,,,0.0,0.0,CID653678,COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID9551496,COc1ccc(/C=C2\CCc3ccccc3C2=O)cc1Cn1cccn1
+,,,,,,,,,0.0,,,,,,,,CID992127,O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc2ccccc12
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,CID3240352,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(OC)cc4)c(=S)[nH]c3c2)CC1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3238413,CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
+,0.0,0.0,,,,,,,,0.0,,0.0,,,,,CID654251,Cn1nnc2c(NCc3ccco3)nccc21
+,,,,,,,,,,,,,0.0,,,,CID2462869,COc1ccc(C(=O)CSc2nnc(CN3CCCCC3)n2-c2ccc(F)cc2)cc1OC
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID5309850,CCCc1cc(C(=O)NCc2cccs2)no1
+,,,,,,,,,,,0.0,,,,,,CID1042615,O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)c1ccc([N+](=O)[O-])cc1
+0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,CID662200,Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1208462,CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID2080379,N#Cc1ccccc1Sc1ccccc1C(=O)OCc1nnc(-c2ccccc2)o1
+,,,,,,,,,,0.0,,,,,,,CID3228948,Cc1nn(C)c(C)c1NC(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
+,,,,,,0.0,,0.0,,,,,,,,,CID5310357,Cn1cc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(C)c1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID2497323,CCc1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)OCCO3)s1
+,,,,,,,,0.0,,0.0,,,,,,,CID2220078,COc1ccc(C(=O)NCCc2nnc(SCC(=O)Nc3ccc(Br)cc3)n2C)cc1
+,,,,,,,0.0,,,,0.0,,,,,,CID4383151,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2240591,CCCNCc1cc(OCC)c(OCC(N)=O)cc1Br
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1469711,CCOc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1475808,O=C(OCc1cn(-c2ccc(Cl)cc2)nn1)c1ccccc1
+,,,,,,,0.0,0.0,,,0.0,,,,,0.0,CID2366410,O=C(COc1ccc2ccccc2c1)N1CCN(c2ccccc2O)CC1
+,,,,,,,,,,,,,,0.0,,,CID2338127,CCOc1ncccc1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID5347655,CCCOc1ccc(/C=N/N2CCN(Cc3ccccc3Cl)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1489198,O=C(Cc1ccccc1)c1c[nH]c(C(=O)NCc2ccncc2)c1
+,,,,0.0,,,,,,,,,,,0.0,,CID662889,Cc1ccccc1OCC(=O)N(Cc1ccc(N(C)C)cc1)C1CCS(=O)(=O)C1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID3239656,CCN(CCCn1c(=S)[nH]c2ncccc2c1=O)c1ccccc1
+0.0,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,CID659927,CCCCC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID2997604,CC1(c2ccccc2Cl)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID714737,COC(=O)Cn1nc(-c2ccc(C)cc2)c2ccccc2c1=O
+,0.0,,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,CID3239877,O=C(Cn1c(=O)[nH]c2ccsc2c1=O)NC1CCCCCC1
+,,,,,,,,0.0,,,,,,,,0.0,CID2832697,Cc1ccc2nc(C(F)OC(F)(F)F)[nH]c2c1
+,,,,,,,,,0.0,,,,,,,,CID694267,Clc1ccc(SCc2cn3cccnc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1480743,O=C(NNC(=O)c1oc2ccccc2c1-n1cccc1)c1ccco1
+,,,,,,,,,,,,,,,,0.0,CID653289,Cc1onc(COc2ccccc2O)c1Br
+0.0,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,CID2155848,Cc1cc(NC(=O)CSc2nnc(COc3ccccc3)o2)no1
+,,,,,,,,,,0.0,,,,,,,CID4095451,O=C(Cc1cccc2ccccc12)OCn1nnc2ccccc2c1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID663135,Cc1cccc(NC(=O)C23CCC(C)(/C(=N/O)C2)C3(C)C)c1
+,,,,,,,,,,,,0.0,,,,,CID3239986,O=C(CCN1C(=O)c2ccncc2C1=O)Nc1ccc2c(c1)OCCO2
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID667063,CC(C)CN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3628559,O=C(NCc1cccs1)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)o1
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,CID665855,CCOc1cccc(-c2nnc3sc(COc4ccc(Cl)cc4)nn23)c1
+0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,CID658502,CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C#N)c(N)c23)CS1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID857458,COc1ccc(OC)c(NC(=O)CSC2=NCCS2)c1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID779882,COc1ccc(Br)cc1CN1CCN(CCO)CC1
+,,,,,,,,,,,,,,0.0,,,CID2931091,CN1CCN(C(=S)SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID773549,O=S(=O)(CCc1nc2ccccc2o1)c1ccc2ccccc2c1
+,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,CID645448,CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2
+,,,,,0.0,,,,,,,,,,,,CID1352287,COc1cccc(/C=C2\SC(=S)N(CCC(=O)Nc3cccc(OC)c3)C2=O)c1
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,CID2998420,CC(Nc1ccc2c(c1)nc(CO)n2C)=C1C(=O)CC(C)(C)CC1=O
+,,0.0,0.0,,0.0,,,,,,,0.0,,,,,CID2997687,O=C1COc2ccc(C(=O)COC(=O)Cn3cnc4ccccc43)cc2N1
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+0.0,,,,,,,,,,,,,,,,,CID3245550,CS(=O)(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,0.0,,,CID1487897,COC(Cc1n[nH]c(=S)n1-c1ccc(Cl)cc1)OC
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID829842,CCN(CC)S(=O)(=O)c1ccc(OC(C)C)nc1
+,,,,,,,,,,,,,0.0,,,,CID761277,O=C(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1
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+,,0.0,,,,,,,,,,,,,,,CID3245886,O=C(NC1(C(=O)NC2CCCCC2)CCCCC1)c1ccc2c(c1)OCO2
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+,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,,CID1118796,Cc1cc(C)nc(SCC(=O)Oc2ccc3oc(=O)cc(C)c3c2)n1
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+,,,,,,,,,,0.0,,,,,0.0,0.0,CID2937065,CCC1(C)Cc2c(sc3c2c(=O)n(C)c2nnc(SCC(=O)c4ccccc4)n32)CO1
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+,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID5868164,CCCC(=O)NC1=CC(=O)/C(=C2/Nc3cc(C)c(C)cc3O2)C=C1
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+,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID2173039,CC(=O)Nc1ccc(NC(=O)CN(C)CCC#N)cc1
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+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID935245,O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc(F)c1
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+,,,0.0,,,0.0,0.0,0.0,,,,,,,,,CID665059,O=C(OCc1cc2ccccc2[nH]c1=O)c1ccccn1
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+,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID3236628,CC1CCCCN1C(=O)Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21
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+,,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID555682,COC(=O)c1[nH]cnc1C(=O)c1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID888841,Oc1ccc(Cl)cc1CNc1ccc(Br)cn1
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+,,,,,,,,,,,,,0.0,,,,CID619852,COc1ccc2occ(C(=O)c3ccccc3)c2c1
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+,,,,,,,,,,,,,0.0,,,,CID2560785,CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID668120,N#Cc1c(-c2ccccc2)cc(C2CC2)nc1N
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1190726,O=C(OCn1nnc2ccccc2c1=O)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,,,,CID2430004,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID648202,O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)NCc1cccs1
+0.0,,0.0,,,,,,,,,,,,,,,CID655509,COCCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID888341,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccccc1Cl
+0.0,0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID2997807,Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)OC3CCCC3=O)cc12
+,,,,,,,,,,,,,0.0,,,,CID3228839,COc1ccccc1C1(O)CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5742470,CC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)C2c2ccc(C)cc2)NN1
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID2999282,COC(=O)C1CCN(C(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID9551778,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(SCc2c(C)[nH]c(=O)[nH]c2=O)o1
+,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,CID2576419,CCCn1c(SCC(=O)NC(=O)Nc2ccc(C)cc2C)n[nH]c1=O
+,0.0,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID664017,CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCOCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID2955459,CCC(C)c1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2427941,CSc1ncccc1C(=O)OCc1cccc([N+](=O)[O-])c1
+,,,,,,,0.0,,,,,,,,,,CID650602,CCOc1ccc2[nH]c(=O)c(CN(CCOC)C(=O)N3CCOCC3)cc2c1
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+,,0.0,,,,,,,,,,,,,,,CID2159198,Cn1/c(=N/C(=O)c2ccco2)sc2cccc(F)c21
+,,,,,,,,,,,,,0.0,0.0,,,CID1353554,CCOc1cc(/C=N/NC(=O)COc2ccccc2C)ccc1OC(=O)c1cccs1
+0.0,,,,,0.0,0.0,,,,,,0.0,,,,0.0,CID655740,Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2093211,COc1ccc(NC(=O)c2cc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)ccc2Cl)cn1
+,,,,,,,,,,,,,0.0,,,,CID990041,CCOc1cnn(Cc2ccccc2)c(=O)c1SCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID16192004,CC(C)CN1CCN(Cc2nc3ccccc3s2)CC1CCO
+,,,,,,,,,,,0.0,,,,,,CID1489420,CCOC(=O)c1cc(C#N)c(N2CCCCC2)nc1-c1ccccc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1249608,Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1
+,0.0,,,,,,,,,,,,,,,,CID660276,CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1nc(C)cc1C
+,,0.0,,,,,,,,,,,0.0,0.0,,,CID645337,CC1(C)N([O-])C(c2cccs2)=C[N+]1=O
+,,,,,0.0,,,,,,,,,,,,CID1009406,Fc1cccc(Cl)c1CSc1nnc(CN2CCOCC2)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2356943,Cc1cc(C)nc(-n2nc(C)c(Br)c2Nc2ccc(Br)cc2)n1
+0.0,,,,,,,,,,,,,,,,,CID3239256,O=C(Nc1ccccc1C(F)(F)F)N1CCN(c2ccc3nncn3n2)CC1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID653587,O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,0.0,,,,,,,,,,,,,,CID743199,CC(=O)N1CCC(N2CCN(c3ccccc3F)CC2)CC1
+,,,0.0,,,,,,,,,,,,,,CID5741947,CCN1C(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)=NN/C1=C1/C=CC=CC1=O
+,,,,,,,0.0,,,,0.0,,,,,,CID646579,c1ccc2c(c1)[nH]c1c(N3CCCCC3)ncnc12
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID3243716,Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1Cl
+,,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID694184,O=S(=O)(c1cccs1)N1CCc2ccccc2C1
+,,,,,0.0,,,,,0.0,0.0,0.0,,,,,CID655702,COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(C)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID1397715,COc1ccc(Nc2nc(N)nc(CN3CCC(Cc4ccccc4)CC3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID7150630,Cc1cc(OC(=O)C2CC2)c([N+](=O)[O-])c(=O)[nH]1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID3242420,Cc1nc2nc(SCC(=O)N3CCOCC3)nn2c(C)c1Cc1ccccc1
+,,,,,0.0,,0.0,,,,,,,,,,CID666664,COCCOC(=O)c1c(C)oc2ccc(OC(=O)N(C)C)cc12
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID767305,Nc1cc(N)cc(-c2nc3ccccc3o2)c1
+,,,,0.0,,,,,0.0,,,,,,,,CID3242787,CCC(C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)Cc1cccs1
+,,0.0,0.0,,,,,0.0,,,,,,0.0,,,CID656354,CCCOc1ccc(C2C(C#N)=C(N)Oc3nc[nH]c(=O)c32)cc1OC
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID2091134,COc1cc(CC(=O)Nc2sccc2C(N)=O)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID824918,Cn1c(O)c(-c2ccccc2)c(=O)c2c1CC(C)(C)CC2=O
+,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID653105,CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID2376185,CCOc1ccccc1N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4154281,O=C(CSc1ncnc2c1sc1ccccc12)Nc1ccc(Br)cc1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2950439,CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1
+,,,0.0,,,,,,,,,,,0.0,,,CID3245841,COc1ccc(N(C(=O)c2cccc(OC)c2OC)C2C=CS(=O)(=O)C2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID655033,CN1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID3238581,CC(C)C1N(C(=O)CN2CCCC2)CCN1S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID3243864,CCOC(=O)C(NC(=O)Nc1cccc(C)n1)(OCC(F)(F)F)C(F)(F)F
+,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,CID798936,COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,,,0.0,,,,,0.0,,,,,,CID3236670,C=CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC=C)C1c1ccc(OCC)cc1
+,,,,,,0.0,,,,,,,,,,,CID5389281,Cc1ccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2cccs2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID2134222,CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID869742,O=C1C=C(Nc2ccccc2)C(=O)N1Cc1ccccc1
+,,,0.0,,,,,0.0,,,,,,,,,CID5389672,CC/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID5339089,O=C(c1ccccc1)c1ccc2nc(-c3cccnc3)[nH]c2c1
+,,,0.0,0.0,,0.0,,,,,,,,0.0,,,CID657874,CCCCc1nc2sc3c(c2c(=O)[nH]1)CCC3
+,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID5307834,Cc1cc(-c2ccco2)n(CC(=O)NCc2ccco2)n1
+,,,,,,,,,,,0.0,,,,,,CID848446,C=CCN(c1ccc(C(=O)N(CC)CC)cc1)S(C)(=O)=O
+,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,CID3235840,CCC(=O)N1CCc2cc(S(=O)(=O)NC(C(=O)N3CCc4ccccc4C3)C(C)C)ccc21
+,,,,,,,,,,,,,,0.0,,,CID3843100,COc1cccc(-n2c(C)n[nH]c2=O)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2870345,O=c1c([N+](=O)[O-])c(NC2CCCCC2)c2ccccc2n1-c1ccccc1
+,,,,0.0,,,,,,,,0.0,,,,,CID654659,Cc1ccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)o1
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID988004,CC(C)CCn1c(NCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,0.0,,,,CID2109654,CCOc1ccc(OCCSc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID3242368,C=CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID3124457,CC(c1nc2ccccc2o1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,0.0,,CID646021,O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)c1cccc2c1OCCO2
+,,,,,,,,0.0,,,,,,,,,CID3211277,CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID2147159,Cc1ccc(S(=O)(=O)c2nc(NN(C)C)sc2Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID731423,Cc1ccc(/C=N/n2c(C)n[nH]c2=S)o1
+,,,,,,,0.0,,,0.0,0.0,,,,0.0,,CID2535924,N#Cc1ccc(COC(=O)c2ccc3c(=O)nc(CN4CCOCC4)[nH]c3c2)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID663470,CCOc1cccc(C(=O)N(Cc2ccc(F)cc2)C2CCS(=O)(=O)C2)c1
+,,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,CID2999752,CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c2)cc1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID2304308,Cc1noc(C)c1C(=O)NCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID733830,Cc1ccc(C)c(NC(=O)c2ccc(OC(=O)c3ccco3)cc2)c1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID3000218,Cc1cccc(-n2nnnc2SC(C)C(=O)NCCC2=CCCCC2)c1
+,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID647109,COc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccnc1
+,,0.0,,,,,,,,,,,,,,,CID5307643,CCOC(=O)C1=C(CS(=O)(=O)c2ccc(F)c(C)c2)NC(=O)NC1c1ccc(O)c(O)c1
+,0.0,,,,,,,0.0,,,,,,,,,CID3236839,O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1
+,,,,,,,,,,0.0,,,,,0.0,,CID2932153,Cc1ccc(-n2c3c(cc(C(=O)NC4CCSC4=O)c2=O)C(=O)CCC3)cc1
+,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,,CID657999,Cc1ccc(N(C(=O)Nc2ccccc2)C2=NCC(C)S2)cc1
+,,,,,,,,,0.0,,,,,,0.0,,CID3245306,NC(=O)C1CCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)CC1
+0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID2388866,O=S1(=O)CCN2C(=N1)SC1=C2CCN(Cc2ccccc2)C1
+,,,,,,,,0.0,,,,,,,,,CID2204425,NC(=O)c1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID3237828,CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCOCC3)cc2c1N
+,,,,0.0,,,,0.0,,,,,,,,,CID3241902,CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCc3ccco3)c(=O)c2c1
+,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,,CID1241962,CCOC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3ccncc3)n2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID5308943,CSCCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NC1CCCCC1
+,,,,0.0,,,,,,,,,,,,,CID648219,OCC1(CO)COC(c2cccnc2)N1
+,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID3245883,COc1ccc(NC(=O)NCc2cccn2C)c(OC)c1
+,,,,,,,0.0,,,,,,,,,,CID4997967,CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCO3)c2ccccc2)C1
+,,,,,,,,,,,0.0,,0.0,,,,CID1181846,Cc1cc(C)cc(NC(=S)NC(=O)CCN2C(=O)c3ccccc3C2=O)c1
+0.0,,,,,,,,,,,,,,,,,CID647439,O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID864407,COc1ccccc1NC(=O)CSc1nncn1-c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID5375849,Cc1ccc(/C=C/C(=O)c2ccccc2)cc1
+0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,,CID2899102,OCc1nc2ccccc2n1CC(O)COc1ccccc1
+0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,CID648454,Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)CCC4)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2789413,Cc1n[nH]c(=O)nc1N/N=C/c1ccco1
+,,,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,CID652119,CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID3341369,O=C(Cn1nnc2ccccc2c1=O)NCc1ccc(Cl)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID936022,Cc1nc(NC(=O)c2cccnc2)ccc1Br
+,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0,,CID654201,CC(=O)c1cccc(NC(=O)CN(c2ccccc2)S(C)(=O)=O)c1
+,,,,,0.0,,,,,,,,,,,,CID5196585,CSc1nc(C)c2c(n1)N(c1ccc(F)cc1)CC2
+,,0.0,,,,,0.0,,,,,,,,,,CID3237550,O=C1c2cccnc2C(O)N1Cc1ccc(F)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID5310615,CCN(CC)C(=O)C1CCCN(C/C(C)=C/c2ccccc2)C1
+0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,CID653567,Cc1cccc(NC(=O)N(Cc2nc(=O)c3ccccc3[nH]2)C2CCCC2)c1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID666860,O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1Cc1ccco1)CCCCC3
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID2158355,COCCN(CCOC)C(=O)c1cc2c(=O)n3ccccc3nc2s1
+,,,,0.0,,,,,,,,,,,,0.0,CID645688,Cc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1Cc1ccco1
+,,,,,0.0,,,,,,0.0,,,,,,CID4520223,CCC(CC)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,,CID2358535,O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NC1CCCCC1
+,,0.0,,,,,,,,,,0.0,,,,,CID879106,COc1ccccc1NC1=NC2(CCCC2)N=C(N)N1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID652984,O=C(NC1CCCC1)C(c1ccc(O)cc1)N(CC1CCCO1)C(=O)C1COc2ccccc2O1
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID610962,COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccccc1Cl
+,,,,,,,,,0.0,,,,,,0.0,,CID1934156,CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCC#N)cc12
+,,,,,,,,,,,0.0,,,,,,CID1129500,CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID5341729,CC(C)(C)CC(C)(C)NC(=O)c1ccc2nccnc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID5308960,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1cccnc1
+,,,,0.0,,,,,,,,,,,0.0,,CID2971494,CC(NC(=O)c1cccs1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2446706,C=C1c2ccccc2NC(=S)N1Cc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID1337626,COc1ccc([N+](=O)[O-])cc1COc1ccc2c(-c3ccccc3)cc(=O)oc2c1
+,,,,,,,,,,,,,,,,0.0,CID2968311,O=C(NC1=NC(=O)C(F)(C(F)(F)F)S1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1790616,Cc1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Cl)cc1Cl
+,,,,,,,,,,0.0,,,,,,,CID9550128,Cc1cc(C)cc(Nc2cnn(C34CC5CC(CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1076550,O=S(=O)(c1cccc2nonc12)N1CCN(c2ccccc2F)CC1
+0.0,,0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,CID2553879,O=C(CCCc1c[nH]c2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2764493,N#Cc1cc(C#N)c(N2CCN(c3cccc(Cl)n3)CC2)nc1N
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID2571013,Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccccc1SCC#N
+,,,,,0.0,,,,,,,,,,,,CID3241525,CCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID663249,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(C)C
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID2988612,Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2)s1
+,,,,,,,0.0,,,,,,,,,,CID651747,CCOC(=O)C1(c2ccccc2)NC(c2ccc(N(C)C)cc2)C2C(=O)N(C)C(=O)C21
+,,,0.0,,,,,,,,,0.0,,,,,CID762642,O=C(Cc1cccs1)N1CCN(c2ccccn2)CC1
+,0.0,,,,0.0,,,,,,,,,,,,CID665576,CC1CN(CCc2ccccc2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID655803,Cc1ccn(CCSCC(=O)O)n1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID2114786,O=c1ccc2ccc(OCc3nnc(-c4ccccc4Br)o3)cc2o1
+,,,,,,,0.0,,0.0,0.0,,,,,,,CID2575383,Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1
+,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID3244873,O=C(NCCN1CCOCC1)c1cc(-c2cccs2)on1
+,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,CID652091,Cc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID657439,CN1C(=O)NC(c2ccccc2)C2=C1CN(Cc1ccccc1)C2=O
+,,,,,,,,,,,,,0.0,,,,CID677343,Cc1ccc(Nc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2540218,O=C(Cc1n[nH]c(=O)c2ccccc12)OCC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,0.0,,,,CID1447291,O=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
+,,,,,0.0,,,,,,,0.0,,,,,CID5310108,CCN1C(SCc2cccnc2)=NN/C1=C1\C=Nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID937365,Cc1cc(C)n(CC(=O)N/N=C/c2ccccn2)n1
+,,,,,0.0,,,,,,,,,,,,CID11834435,Cc1cc(/C([O-])=C(/C(=S)Nc2ccccc2)[n+]2ccccc2)c(C)n1-c1ccccc1
+,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,CID1247113,O=C(CSc1ccccc1)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,,,0.0,CID2882226,CCCOc1ccc(N2C(=O)CC(N3CCC(O)(c4cccc(C(F)(F)F)c4)CC3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1541678,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC3)cc1
+,,,,,,0.0,,,,,,,0.0,,0.0,,CID776143,Cn1c(-c2ccccc2)cc(=O)c2ccccc21
+,0.0,,0.0,,,,,,,,,,,,,,CID667277,COC(=O)c1sc2nc(-c3ccco3)ccc2c1N
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,,CID2568959,Cc1ccc(-n2nnnc2SCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1
+,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID2280443,COc1cccc(OCCOCCNCCO)c1
+,,,,,,,,,,,,,,,,0.0,CID3640693,CCCC(=O)NCCc1nc2ccccc2n1CCC
+,,,,,,,,,,,,,,0.0,,,CID711896,CCOc1ccc(C(=O)Nc2cccc3nsnc23)cc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID5734234,CCCC1=C/C(=C2\NNC=C2c2ccc3c(c2)OCCCO3)C(=O)C=C1OC
+,,,,,,,0.0,,,,,,,,,0.0,CID2847431,CC(C)C12CN3CCN(CC(C3)C1O)C2
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID3241239,COc1ccc(CNC(=O)C(C)NC(=O)c2cc3ccccc3o2)cc1
+,,,,,0.0,,,,,,,,,,,0.0,CID3422818,O=C(NCc1ccc(F)cc1)C1CCC(=O)N1CCc1ccccc1
+,,,,,,,,,0.0,0.0,,,0.0,0.0,,,CID828572,CSc1nc(-c2ccccc2)nn1S(=O)(=O)c1ccccc1
+,0.0,,,0.0,,,,0.0,,,,,,,0.0,,CID2291994,Cc1ccc(C(=O)NCCNS(=O)(=O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3773766,Cc1ccc(CN2C(=O)C3CCCN3c3ccc(C#N)cc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID9551264,O=C(CCc1nc2cccnc2n1Cc1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2913622,O=S(=O)(NC1CCCCC1Sc1ncccn1)c1ccc(Cl)cc1
+,,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID3238000,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
+,,,,,,,,,,0.0,,0.0,,,,,CID660785,CC(C)OC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
+0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,CID3235766,Cc1ccc(CNC(=O)c2sccc2-n2cccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1168062,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C)cc4)o3)n2CC)cc1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID2264841,Cc1c(NC(=O)CSc2nc3ccccc3s2)c(=O)n(-c2ccccc2)n1C
+0.0,,,,,,,,,,,,,,,,,CID5307772,Cc1ccnc(NC2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1
+,,0.0,,,,,,0.0,0.0,0.0,,,,,,,CID962232,CCn1c(-c2ccco2)nc2ccccc21
+,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID2997667,COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(OC)cc2)s1
+,,0.0,,,,,,,,,,,,,,0.0,CID2909894,Cc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN2CCOCC2)o1
+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,CID654825,O=C(NCCc1ccccc1)C(c1cccs1)N(C(=O)c1csnn1)C1CC1
+,,,,,,,,,,,,,,0.0,,,CID5296133,O=C(O)CC(NC(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)OCO2
+,,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID666995,O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1Cl)NC1CC1
+,,,,,,0.0,,,,,,,,,,,CID313621,CCOc1ccc2nnnn2n1
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,,CID5308082,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCCC1)O2
+,,,,,,,,,,,,,,0.0,,,CID7025619,COc1cc(S(=O)(=O)n2ccnc2)ccc1Br
+,,,,,,,,,,,,,,0.0,,,CID1309962,O=C(Nc1ccccc1Cl)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID859497,CN(C(=O)c1ccco1)c1nc(CC(=O)Nc2ccccc2)cs1
+0.0,,,,,,,,,0.0,,,,,,,,CID653769,CCOc1ccc(-c2nnn(CC(=O)N3CCN(c4ccc(OC)cc4)CC3)n2)cc1OCC
+,,,0.0,,,,,,,,,,,,,,CID665938,Cc1cc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)no1
+,,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,CID655299,CCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,CID651742,COC(=O)c1cccc(S(=O)(=O)N2CCC(NC(=O)NC34CC5CC(CC(C5)C3)C4)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID16004068,O=C(c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1)N1CCN(c2ccccc2)CC1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,,,CID654281,Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID319545,Cc1ccc(S(=O)(=O)N/N=C/c2ccc(C(=O)O)cc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID774124,O=C(CCc1ccccc1)NNC(=O)c1ccco1
+0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,CID591517,CCOc1ccc(N2CC(C(=O)NCc3cccc(C)c3)CC2=O)cc1
+0.0,,,,,,,,0.0,,,,,0.0,,,0.0,CID650753,Cc1nc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(Br)cc1
+,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,,,,,,CID959441,CCN(CC)c1ccc(NC(=O)c2ccco2)c(C)c1
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+,,,,,0.0,,,,,,,,,,,,CID2966329,c1ccc2c(c1)ncn2CCCOc1ccc2c(c1)CCC2
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+,0.0,,,,,0.0,0.0,,,,,0.0,,,,,CID653533,Cc1cc(C)c(NC(=O)CCCN2CCN(C)CC2)c(C)c1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308468,O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
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+,,,,,0.0,,,,,,,,,,,,CID2274240,O=C(O)CCCNC(=O)COc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1352303,O=C(/N=C1\SCC(=O)N1c1ccccc1Cl)c1ccccc1
+0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID3236909,CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1
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+,0.0,,,0.0,,,,,,,,,,,,,CID3241097,Cn1c(C(=O)NCC2CCCO2)cc2oc3ccccc3c21
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+,,,,,,,,,,,,,0.0,,,,CID3460028,CCOC(=O)Cn1nc(C(F)F)c(Br)c1C
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID1565370,Cc1ccc(OCCCC(=O)N2CCOCC2)cc1
+0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0,CID650253,CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccncc3)CC2)cc1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2997595,Cc1c(C#N)c(SCC(N)=O)nc2c1CCCC2
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+,,,,,,,,,0.0,,,,,,,,CID657800,CN1C(=O)N(C)C2C1N(CN1CCCCC1)C(=O)N2CN1CCCCC1
+,,0.0,0.0,,,,,,0.0,,,,,,0.0,,CID667263,N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2C1c1ccsc1
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+,,,,,,,,,,,,,0.0,,,,CID872494,CC(=O)N(c1ccccc1C)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2117229,O=C(Cc1coc2ccc3ccccc3c12)NCc1cccs1
+0.0,,,,0.0,,,,,,,,,,,,,CID2873790,O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1
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+0.0,,,,,,,,,,,,,,,0.0,0.0,CID648060,CC(C)c1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCCC3
+,,,,,0.0,,,,,,,0.0,,,,0.0,CID1360698,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,,,0.0,,,,,CID3245900,O=C(NC1CCCCC1)C(c1ccccc1)N1CCC2(CC1)OCCO2
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+,,,,,,,,,,,,,,0.0,,,CID2350217,CN1CCN(NC(=O)CSc2ccc(Cl)cc2Cl)CC1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2884054,CCOc1cccc(N2C(=O)CC(N3CCC(C(N)=O)(N4CCCCC4)CC3)C2=O)c1
+,0.0,,,0.0,,,0.0,,,,0.0,,,,,,CID2614038,C=CCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C
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+,,,0.0,,,0.0,,0.0,,,,,,,,,CID3120784,CC(C)CC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
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+,0.0,,,,,,0.0,,,,,,,,,,CID2868053,CC(C)CCOCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1
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+,,,,,,,,,,,,,0.0,,,,CID1922497,Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=S)N(C)C1=O
+,,,,,0.0,,,,,,,,,,,,CID843235,Cc1c(C)c2ccc(OCC(=O)N(C)C)cc2oc1=O
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID3239186,O=C1CCc2cc(S(=O)(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2N1
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+,0.0,,,,0.0,,0.0,,,,,,,,,,CID659088,C=CCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12
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+,,0.0,,,,,,,,,,,,,,,CID650605,CCN1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2C(C)(C)CC)CC1
+,,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID664056,CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccccc3)CC2)s1
+,,,,,,,,,,0.0,,,,,,,CID4876371,CC1CCC2(CC1)NC(=O)N(CC(=O)c1ccc[nH]1)C2=O
+,,,,,0.0,,,,,,,,,,,,CID3558242,S=C1N(c2ccccc2)C(c2cccc3ccccc23)N2CCCN12
+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID1012529,CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc(C)c1CC
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+,,,,,,,,,,0.0,,,,,,,CID2870232,Cc1ccc(S(=O)(=O)N(C)CC(O)Cn2c3ccccc3c3ccccc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID5345321,Cc1cccc(N2C(=O)C(=O)/C(=C(\O)c3ccccc3)C2c2cccc([N+](=O)[O-])c2)c1
+,,,,,,0.0,,,0.0,0.0,,,,0.0,,,CID658125,O=C(O)Cc1cc2c(s1)CCCCC2
+,,,,,,,,,,,,,,0.0,,,CID1122669,COc1ccc(/C=N/NC(=O)c2cccc(Br)c2)c(OC)c1
+,,,,,,0.0,,0.0,,,,,,,,,CID1506126,COC(=O)c1cc(OC)c(OC)cc1NC(=O)Cn1nnc(-c2ccccc2Cl)n1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2865028,CSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2
+,,,,,0.0,,,,,,,,,,,,CID1918029,CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(OC)c1O
+,,,,,,,,,0.0,,,,,,,,CID3155247,COc1nnc(-c2ccc(N3CCCCC3)c(NC(C)=O)c2)c2ccccc12
+,,,,,0.0,,,0.0,,,,,,,,,CID2998579,CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)NCCCO)c1
+,,,,,0.0,,,,,,,,,,,,CID5345736,O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(C(=O)O)cc2)o1
+,,,,,,,,,,,0.0,,,,,,CID1214522,O=S(=O)(c1cnccc1N1CCN(/N=C/c2ccc(Cl)cc2)CC1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID5725687,O=C(NN/C=C1\C=Nc2ccc(Br)cc21)c1ccn(Cc2ccc(Cl)cc2)n1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,CID892728,CCOC(=O)Cn1c(C)cc(=O)c2cccc(C)c21
+,,,,,,,,,,,,,,,0.0,,CID3240469,CCCCS(=O)(=O)NC1=NCN(CCO)CN1
+,0.0,,,,,,,,,,,,,,0.0,,CID938793,Cc1nnc(SCc2cc(=O)n3[nH]cnc3n2)s1
+,,,,,,,,,,,,,,,,0.0,CID3236789,COC(=O)c1ccccc1NC(=O)C1CCCCC1C(=O)O
+,,0.0,,,,,,0.0,,,,,,,,,CID5309171,O=C(CN1CCN(c2ccccc2F)CC1)c1ccc2cc[nH]c2c1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2913835,CCC(C)c1ccc(OCC(=O)O)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2215193,Cc1cc(Br)ccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID654037,CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C
+,,,,,0.0,,,,,,,,,,,,CID1824319,CN(C)c1ccc(-n2cccc2/C=C2/SC(Nc3ccc(F)cc3)=NC2=O)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,,,CID663674,COc1ccc2c(c1)c(C(=O)CN1CCN(C(=O)c3ccco3)CC1)c(C)n2C
+,,,,,,,,,0.0,,,,0.0,,,,CID2124974,CSc1cccc(NC(=O)c2ccc(Cl)nc2)c1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID659857,COC(=O)C(NC(=O)c1ccccc1)(Nc1nc(C)cs1)C(F)(F)F
+,,,,,,,,,,,,,,0.0,,,CID5736540,C=CCN1C(=O)/C(=C/C=C2/N(CC)c3ccc(S(=O)(=O)N(C)C)cc3N2CC)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID2879094,O=c1c([N+](=O)[O-])c(N2CCCC2)c2ccccc2n1-c1ccccc1
+,,,,,,,,0.0,,,,0.0,,,,,CID2998223,COc1cc2c(cc1NC(=O)COC(=O)C1CC(=O)N(Cc3ccco3)C1)oc1ccccc12
+,0.0,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID3241189,CCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)c2cccnc12
+,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,CID661707,COc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1474785,O=C(Nc1ccc2c(c1)OCCO2)N1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,CID2203076,O=C(CSCCO)N1CCc2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID2112651,CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccncc2)c(=O)n(C)c1=O
+,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,CID562542,N#CC1(c2ccccc2)CCC(=NO)CC1
+,0.0,,,,,,,,,0.0,0.0,,,,,0.0,CID3244394,CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C#N
+0.0,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,CID2206868,O=C(c1ccco1)n1nc(-c2ccccc2)nc1NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1487975,CN1CCN(c2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)CC1
+,,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID580214,Cc1ccccc1NC(=O)C1CC(=O)N(c2ccccc2F)C1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1070244,Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)s1
+,,,,,,,,,0.0,,,,,,,,CID700405,CCC(=O)N1CCN(c2nc3ccccc3s2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4048316,C/C(=N\NC(=S)Nc1ccc(C)c(C)c1)c1ccc(N2CCOCC2)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID647193,O=C(NCCCn1ccnc1)c1cn(Cc2ccc(F)cc2)nn1
+,,,,,0.0,,,,,,,,,,,,CID1482738,COc1cc2nc(SCc3ccc(F)cc3)n(Cc3cccs3)c(=N)c2cc1OC
+,0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0,CID648422,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCCc2ccccc21)OCCO3
+,,,,,,,,,,,,,0.0,0.0,,,CID1445311,Cc1ccc(-n2ncc3c(SCC(=O)NNC(=O)c4ccco4)ncnc32)cc1
+,,,,,,,,,,,,0.0,,,,,CID4248268,CCOCCn1c(CN2CCC(C)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,0.0,,,,,,,,CID2909786,CCc1cc2c(SCC(=O)c3ccc(C)cc3)ncnc2s1
+,,,,,,,,,,,0.0,,,,,,CID1017922,O=C(COc1ccc(Cl)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID559616,CC1(C)OC(C(N)=O)C(C(N)=O)O1
+,,0.0,,,,,,,,,,0.0,,,,,CID3236700,CCOC(=O)c1nnn(CC(=O)Nc2cccc(Cl)c2C)c1C(=O)OCC
+,,,,,,,,,,0.0,,,,,,,CID1169784,O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID921516,CCOC(=O)c1sc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3
+,,,,,,,,,,,,,,0.0,,,CID16194605,O=C1/C(=N\NC(=S)Nc2ccccc2F)c2ccccc2N1Cc1ccccc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID8593,O=C(O)c1cc(-c2ccccc2)nc2ccccc12
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,,CID666777,Cc1ccc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2c1
+,,,,,,,,,,,0.0,,,,,,CID1474397,COC(=O)Cc1cc(=O)n2[nH]c(SC)nc2n1
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID320165,Nc1ccc(-n2ccnc2)cc1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID1266136,CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N1CCOCC1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID647334,O=C(CN(C(=O)CSc1nnc(COc2ccccc2)o1)c1ccc(F)cc1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2106191,CNC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2947295,CN(C)c1ccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID4968434,Cc1cccc(Nc2ccccc2C(=O)NCc2ccco2)c1C
+,,,,,,,,0.0,,,,,0.0,,,,CID894110,Cc1cnc(NC(=O)CSc2nc3ccccc3s2)s1
+,,,,,0.0,,,,,,,,,,,,CID3242929,CN(C(=O)c1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCCC1
+,,,,,,,0.0,0.0,,,,,,,,,CID6324589,CN(C)CCCNCCCNC(=O)/C(N=O)=C1/C=CC=CN1
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+,0.0,,,,,,,,,,,,,,0.0,,CID1834145,COCc1cc(=O)nc(/N=C(\N)Nc2ccc(C)cc2)[nH]1
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+,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,0.0,0.0,CID650900,Cc1nnc(SCC2CCCO2)n1-c1ccccc1
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+,,,,,,,,,,0.0,,,,,,,CID3244360,O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCC1
+,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,CID893938,CSc1cccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)c1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID2591316,O=C(CSc1nc(-c2ccc(F)cc2)cs1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2361005,O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccccc2)o1
+0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,CID983316,O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(F)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID724088,O=C(CC(=O)c1cc(Cl)ccc1O)c1ccccc1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID3767185,CCCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID2159401,CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC
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+,,0.0,,,,,,,,,,,,,,,CID757560,C/C=C/c1ccccc1OCc1ccc(C(=O)O)o1
+,,,,,,,,,,,0.0,,,,,,CID1979191,CCCNC(=O)NC(Cc1ccccc1)C(=O)OC
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+,,,,,,0.0,,,0.0,,,0.0,,,,,CID2332383,Cc1ccc(S(=O)(=O)NC2=NCCC2)cc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID3154603,CCc1ccccc1N1CC23C=CC(O2)C(C(=O)OC)C3C1=O
+,,,,,,,,,,,,,0.0,,,,CID2109847,CCC(=O)c1ccc(OCc2ccc(C#N)cc2)cc1
+,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,CID620261,c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12
+,,,,,0.0,,,,,,0.0,,,,,,CID1258491,Cc1cccc(C)c1NC(=S)NC(=O)CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID11957273,COc1cccc(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1
+0.0,,,,,0.0,,,,,,,,,,,,CID5309593,O=C(NCCc1ccccc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,CID889929,C=CCc1cc(C(=O)N2CCCCC2)ccc1O
+,,,,,,,,,,,,,,0.0,,,CID5235750,Cc1ccc(C)c(NC(=O)C(OC(=O)c2ccc(C)s2)c2ccccc2)c1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3241395,CC12CN3CC(C)(CN(C1)C3c1ccncc1)C2=O
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID605448,Cc1nc2ccc3[nH]snc3c2n1
+,,,,,,,,,0.0,,,,,,,,CID4208276,CCC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccc(F)cc2)CC1
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID2549747,O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID654476,CC1CC(N(C(=O)C2CC2)c2ccccc2)c2ccccc2N1C(=O)C1CC1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID647714,O=C(NC1CCCCC1)C1CCN(c2nnnn2-c2ccccc2)CC1
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID654203,Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3368664,COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID650975,O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1811053,O=C(NCCOc1ccccc1)c1cncc(Br)c1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID977103,CCOc1ccc2[nH]c(S(=O)(=O)CC)nc2c1Cl
+,0.0,,,,,,0.0,,,,,,,,,,CID5309957,O=C(NCc1cccnc1)c1nnc(Cc2ccc(F)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID4419762,Cc1cc(C)n2nc(-c3sccc3-n3c(C)ccc3C)cc2n1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,CID649396,COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C(C)=O)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID3242920,O=C(Nc1cccnc1)c1cc(-c2ccc3c(c2)OCO3)on1
+,,,,,,,,,,,,,,0.0,,,CID1454284,Cc1cccc2cc(C#N)c(N3CCC(O)CC3)nc12
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID655344,O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1cccnc1)c1ccco1
+,0.0,,,,,,,,,,,,,,,,CID652939,COCCn1nnnc1CN(CCCN1CCOCC1)Cc1cc2c(C)ccc(C)c2[nH]c1=O
+0.0,0.0,,,,0.0,,,,,,,,,,0.0,,CID3245237,Cc1ccccc1Nc1nn2c(=O)c3ccccc3nc2s1
+,0.0,,,,,,,,,,,,,,,,CID551245,Nc1nonc1C(=O)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2574590,Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID754823,Nc1nnc(Cc2ccccc2)s1
+,,,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,CID653398,O=C(NC1CCCCC1)C(c1cccs1)N(CC1CCCO1)C(=O)c1csnn1
+,,,,,0.0,,,,,,,,,,,,CID952076,CCC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
+,,,,,,,,,,,,,0.0,,,,CID1477562,O=C(Nc1ccnc(-c2cccnc2)n1)c1cccs1
+,,,,,,,,,,,,,,,0.0,0.0,CID3243387,O=C(O)C1CCC(=O)N1Cc1ccccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID2862503,COc1ccc(NC(=O)c2ccc(Br)o2)c([N+](=O)[O-])c1
+0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,CID3239992,O=C(CN1C(=O)CN=C(c2ccccc2)c2ccccc21)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1084803,CCCc1cc(=O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]1
+,,,,,,,,,,,,0.0,,,,,CID951953,Cn1cccc1C(=S)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID5171702,Cc1noc2ncnc(Oc3ccc4ccccc4c3)c12
+,0.0,,,,,,0.0,,,,,,,0.0,,0.0,CID3243595,CCn1c(C)c(C(C)=O)c(N2CCCCC2)nc1=S
+,,,,,,,0.0,,,,,,,,,0.0,CID659200,OCCN(CCO)c1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
+0.0,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID734783,CCCc1cc(=O)nc(Nc2cc(OC)ccc2OC)[nH]1
+,,,,,,,,,,,0.0,,,,0.0,,CID1255085,Cc1cc(OCC(=O)NCc2nc(-c3ccccc3)no2)c(C)cc1Br
+,,,,,0.0,,,,,,,,,,,,CID2264065,O=C(CSc1cccc2cccnc12)Nc1ccc(/C=C/c2ccccc2)cc1
+,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID2998289,CC1(C)Cc2nc(N)c(=O)sc2C1
+,0.0,,,,,,,,,,,0.0,,,,,CID666171,CC(C)c1nc2oc3c(NCc4cccnc4)ncnc3c2c2c1CCC2
+,,,,,,,,,,,,0.0,0.0,,,,CID6399197,O=C(/C=N/O)Nc1cccnc1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID2207727,CCOc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2cccnc2)n1
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID4114340,Cc1c(C)[n+](=O)c(-c2ccc(F)cc2)c(C)n1[O-]
+,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID2102480,Cc1cnc(NC(=O)CCCSc2nc3ccccc3s2)s1
+,,,,,,,,0.0,,,,,,,,,CID823256,COc1ccc(C)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID652449,CCOC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3242435,O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1S(=O)(=O)c1cnc[nH]1
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+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1007660,Brc1ccc(Cn2c(-c3cncs3)nc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID864414,Clc1ccccc1CSc1nncn1-c1cccnc1
+,,,,,0.0,,,,,,,,0.0,,,,CID3738018,COc1ccc(C(C#N)Nc2ccc(C)cc2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID983212,Cn1c(=O)c2c(nc(NCCc3ccccc3)n2Cc2ccccc2)n(C)c1=O
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID2555181,Cc1nc(Cc2nnc(SCc3nc(N)nc(Nc4ccccc4C)n3)o2)cs1
+,,,,,,,,,,,,,0.0,,,,CID2215270,Cc1cc(O)ccc1Nc1nc(-c2cccs2)cs1
+,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID658206,COc1ccc(/C=N/CCC2(O)CC(C)N(C)CC2C)cc1
+,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,CID2150738,COc1ccc(OC)c2sc(NC(=O)C3CC3)nc12
+0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID647215,COC(=O)NCC(C)OC(=O)Nc1cccc(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID3211611,Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)c1
+,0.0,,,,0.0,,,,,,,,,,,,CID646347,CCCCOc1ccc(-c2nnn(CCC(=O)N3CCOCC3)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2963563,CCOc1ccc2c(C)c(C)c(=O)oc2c1OCC
+,0.0,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1267226,COCc1cc(C)nc(SCC(=O)Nc2cc3c(cc2C#N)OCO3)c1C#N
+0.0,0.0,,0.0,,,,,0.0,,,,,,,,,CID2225304,CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
+,,,,,,,,0.0,,,,,,,,0.0,CID658788,COc1cc(=O)[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)n1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID944503,N#CNC1=NCN(Cc2ccccc2)CN1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID764595,COc1ccccc1NC(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1513632,COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID4363978,Fc1ccc(Oc2cnc3ccccc3n2)cc1
+0.0,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,CID1035119,COc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)ccc2ccccc12
+,,,,,,0.0,,,,,,,,,,0.0,CID2234300,N#Cc1c(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)oc(-c2ccccc2)c1-c1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,,CID645140,Cc1sc2nc(C3CC3)nc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2c1C
+,,,,,0.0,,,,,0.0,,,,,,,CID2202359,CS(=O)(=O)N(CC(=O)Nc1ccccc1Sc1ccccc1)C1CCCCC1
+,,0.0,0.0,,,,,,,,,,,,,,CID3238575,COc1ccc(OC)c(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1
+,,,,,,,,,,,0.0,,,,,,CID2176129,CCOc1ccc(CCNC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1OCC
+0.0,0.0,,,,0.0,,,,,0.0,,,,,,,CID3241945,COc1cccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)c1
+,,,,,,,,0.0,,,,0.0,,,,,CID3237592,CCOc1ccccc1NC(=O)CCS(=O)(=O)c1cccc2nonc12
+,,,,,,,,,,,,,0.0,,,,CID1489562,Cc1cccc(-c2cc3c(N=O)c4ccccc4c-3n[nH]2)c1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID653292,O=C(O)CC1CCCC(c2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID711088,O=C(Nc1nc(-c2ccccc2)cs1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1951158,CCOc1ccc2nc(SCCNS(=O)(=O)c3ccccc3)sc2c1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,,CID647108,CCCC(c1nnnn1Cc1cccs1)N1CCN(c2ccc(OC)cc2)CC1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID2381290,O=C(CSCc1ccco1)c1ccc(Cl)s1
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID4530632,CC1Cc2nc(SCC(=O)NCc3ccco3)n(-c3ccccc3)c(=O)c2S1
+,,,,,0.0,,,,,,,,,,,,CID9549984,CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccc2c(c1)OCCO2
+0.0,,,0.0,,,,,0.0,,,,,,,,0.0,CID3239736,CC1(C(=O)NC2CCCC2)CCC(=O)N1Cc1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,CID667355,O=C(CSc1nnc(Cc2cccs2)n1Cc1ccco1)Nc1cccc(Cl)c1
+0.0,,,,,0.0,,0.0,,,,,,,,0.0,,CID1005871,Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2CCOCC2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID652945,CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(C)cc2)n1)C(CC)C(=O)NC1CCCC1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID3239643,S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID4292880,Cc1c(NC(=O)C(C)OC(=O)CNC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,,,,,,,,0.0,,,,CID1360701,COc1ccc(-n2c(SC)nc(=O)c(Cc3ccccc3)c2O)cc1
+,,,,,,,,,,,,,0.0,,,,CID4561017,Nn1c(Cc2cccc3ccccc23)nnc1SCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3243016,CCN(CC)C(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,0.0,,,,CID2285634,O=C(NCCSc1ccccc1)c1ccc(Br)cc1
+,,,,,,,,,,,,,,,0.0,,CID3245199,COCCCNC(=O)C1CCC(=O)N1Cc1ccccc1Cl
+,,,0.0,,,,,,,0.0,,,,,,,CID1122132,O=C(c1ccccc1F)N1CCN(c2ccccc2F)CC1
+,,,,,,,,,,,,,,0.0,,,CID4618135,Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1
+,,,,,,,,,,0.0,,,,,,,CID3236816,Cc1ccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(SCC(=O)NCC3CCCO3)o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3242874,CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21
+,,,,,,,0.0,,0.0,,,,,,,,CID6400922,Cc1nnc(SCC(=O)N2CCOCC2)c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID2956915,CC(NC(=O)CSc1nnc(CC(=O)Nc2ccc(Cl)c(Cl)c2)n1C)c1ccccc1
+,,,0.0,,,,,0.0,,0.0,,,,,,,CID2960897,CCC(C)Oc1cccc(OCCCCN2C(=O)NC(C)(C)C2=O)c1
+0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,0.0,,CID827877,Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)n1
+,,,,,,,,,,,,,0.0,,,,CID683499,O=c1cc(-c2ccc3c(c2)OCCO3)oc2ccc(Cl)cc12
+,,,,0.0,,,,,,,,,,,,,CID2771368,O=C(O)CSc1sc(=S)sc1SCC(=O)O
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID2949753,Cc1ccc(NC(=O)CC2NCCNC2=O)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID645402,CC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1
+,0.0,,,,,0.0,,,,,,,,0.0,,,CID660824,C=CCSc1nc(N)c(C#N)c(-c2ccc(C)cc2)c1C#N
+,,,,,,,,0.0,,,,,,,,,CID3129644,CCCC(=O)Nc1sc2c(c1C(=O)OC)C(C(=O)OC)CC2
+,,,0.0,,,,,0.0,,,,,,,,,CID597578,O=c1nc(N2CCOCC2)nc2n1CCO2
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID660229,CCCSc1nnc(NC(=O)Nc2ccc(F)cc2)s1
+,,,,,,,,,0.0,,0.0,,,,,,CID973104,COc1cccc(NC(=O)c2cnsn2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2302005,CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c2ccc(C)nc21
+,,,,,,,,,,,,,,0.0,,,CID5720078,Cc1nc2c(cc1C(=O)/C=C/c1ccccc1)CCCC2
+,,,,,,,,,,,,,0.0,0.0,,,CID2810899,O=C(NC1CCS(=O)(=O)C1)c1sc2ccccc2c1Cl
+,,,,,,,0.0,,,,,,,0.0,,,CID3240504,CCOC(=O)N1CCN(C(=O)CCN2C(=O)COc3ccccc32)CC1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID654330,Cc1cccnc1NCc1ccc(O)c2ncccc12
+,,,,,,,,0.0,,0.0,,,,,,,CID2339666,CCOc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2155040,CCCNc1ncnc2nc[nH]c12
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1314388,CCOc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(OC)ccc3OC)cc2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID2424821,Cc1noc(C)c1CSc1nnc2ccccn12
+,,,,,,,,,,,,,0.0,,,,CID2338215,Cc1ccccc1NC(=O)COC(=O)Cc1ccsc1
+,0.0,0.0,0.0,0.0,,,,,0.0,,0.0,,,,0.0,0.0,CID2998394,O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)NCCN1C(=O)CSC1=O
+,,0.0,,,,,,,,,,,,,,,CID645866,Cc1ccc2cc(CN(CCCN3CCOCC3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C
+,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,,CID2999858,CC1(C)C2CCC1(CS(=O)(=O)NCc1ccc(C(=O)O)cc1)C(=O)C2
+,,,0.0,,,,0.0,,,,,,,,,,CID652816,O=C(OC(C(=O)NC1CCCC1)c1ccccc1F)c1ccco1
+,0.0,,,,,,0.0,,,,,,,,,,CID5389646,C=CCN1C(=O)NC(=O)/C(=C(/C)NC2CC2)C1=O
+,0.0,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,CID664722,COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1OC
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID2950925,COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)c1ccccc1
+,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID2416166,CCOC(=O)c1oc2ccccc2c1CSc1nnnn1-c1ccccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1471658,COC(=O)c1cc(C#N)c(Oc2ccc(OC)cc2)nc1C
+,,,,,,,,,,0.0,,,,,,,CID3109128,CCCOc1ccc(N2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5167684,CCCCN1C(=O)C(C2c3ccccc3C(=O)N2Cc2ccccc2)C(=O)NC1=S
+,,,,,,,,,,,,,,0.0,,,CID286873,COc1cc(C(=O)c2nccc3cc(OC)c(OC)cc23)c([N+](=O)[O-])cc1OC
+,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2309802,CCN(CC)CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1179486,CCOc1ccccc1Oc1coc2cc(OCC(=O)O)ccc2c1=O
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID1417110,O=c1oc2ccccc2c(Nc2cccc3ccccc23)c1[N+](=O)[O-]
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID2228185,Cc1ccccc1CSCCNC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,0.0,CID662301,COc1cc(N2CCCC2)c(OC)cc1/C=c1\sc2nc3ccccc3n2c1=O
+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID741269,N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID5157651,COc1ccc([N+](=O)[O-])cc1/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID976170,CNC(=O)c1ccccc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID878414,O=C(Cc1ccc(Cl)cc1)NN1C(=O)c2ccccc2C1=O
+0.0,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID1069720,O=C(Nc1cccc(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID662884,Cc1ccc(CSc2nnc(-c3ccccn3)n2C)cc1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID2335840,CCOC(=O)N1CCN(CC(=O)Nc2cc(C)nn2-c2nc3ccccc3s2)CC1
+0.0,,,,,,,0.0,,,0.0,,,,,,0.0,CID2192080,Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc3c(c2)oc2ccccc23)n1C
+,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID3236170,O=C(NCc1cccnc1)c1noc2c1CCCC2
+,,,0.0,,,,,,,,,,,,,,CID802571,CSc1nc2ccccc2c(=O)n1N
+,,0.0,,,0.0,,,,0.0,0.0,,,,,,,CID2853382,O=C1CC(N2CCN(c3ccccc3)CC2)C(=O)N1CCc1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2240890,COc1ccc(N2CCN(C(=O)CN(Cc3ccc(Cl)cc3)S(C)(=O)=O)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1334251,Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)o1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310399,COc1ccccc1-n1c(=O)[nH]c2c(C(N)=O)nc(C3CCCCC3)nc21
+,,,,,0.0,,,,,,,,,,,,CID1813817,O=C(N/N=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccn1
+0.0,,,,,,,,,,,,,,,,0.0,CID3236891,CCc1nn(C(C)C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc3occc3n12
+,,0.0,,,,,,,,,0.0,,,,,,CID3245945,Cc1cc(OCn2ccc(C(=O)O)n2)ccc1Cl
+,0.0,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,CID645655,O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCN(Cc2ccccc2)CC1
+0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID5307587,COc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)cc1
+0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,CID646886,CC(C)(C)NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,CID2292827,CCCOc1cccc(C(=O)Nc2cccnc2)c1
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,CID649547,COCCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID1473659,COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1NN
+,,,,,,,,,,,,,0.0,,,,CID2094441,Cc1cnc(NC(=O)c2cncc(Br)c2)s1
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID787615,CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID2110661,COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)NCc1ccco1
+0.0,0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,CID652865,COc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1040797,CC(=O)C(=CNc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C(C)=O
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+,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,,CID646269,COc1ccccc1Nc1nc(N)nc(CSc2nc(C)cc(C)n2)n1
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+,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID757135,CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
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+,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,CID2395688,COC(=O)c1c(NC(=O)COC(=O)Cn2cnc3ccccc32)sc(C)c1C
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0,CID651519,Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1C
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+0.0,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,CID625794,c1ccc2c(c1)ccc1nnc(-c3ccc4c(c3)OCO4)n12
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5309166,CC1CC(C)CN(C(=O)C(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)C(C)C)C1
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+,,,,,0.0,,,,,,,,,,,,CID2867390,C/C(CCc1ccc2c(c1)OCO2)=N\N=C(/N)SC1CC(=O)N(c2ccccc2F)C1=O
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+,0.0,,,,,,,0.0,,,0.0,0.0,,,,,CID652785,CCCC(=O)Nc1ccc(NC(=O)c2ccco2)cn1
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID664584,O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1cccs1)c1cc2ccccc2o1
+,,,0.0,,,,,,,,,,,,0.0,,CID5389403,CCCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1
+,,,,0.0,,,,,,,,,,0.0,,,CID644418,COc1cccc(C(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
+,,,,,,,,,,,,,,,,0.0,CID2525456,O=C(NCc1ccco1)c1ccccc1Nc1ccc(F)cc1
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+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID662028,ClC1=CCC2CN(CCN3CCCCC3)CC2C1
+,,,,,,,,,,,,,0.0,,,,CID2121560,CN(C)c1nc(/C=C(\C#N)C(N)=O)c(Cl)n1-c1ccc(F)cc1
+,,0.0,,,,,,,,,,,,,,,CID3237905,CN1CCN(C(=O)c2ccc3c(c2)NC(=O)C(N2CCOCC2)S3)CC1
+,,,,,,,,,0.0,,,,,,,,CID1102651,CC(C)(CO)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID16189348,CCN(CC)S(=O)(=O)c1ccc(C(=O)N(c2ccccc2)C2C=CS(=O)(=O)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3508338,COc1ccc(CCn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID998491,Cc1ccc(NC(=S)NNC(=O)c2ccccc2OC(F)F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1096449,Cc1ccc(-c2nc3ccccn3c2C=O)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID3236677,Cc1cc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc2n1
+,0.0,,,,,0.0,,,,,,,,,,,CID5308099,CC1=C(C(=O)OC(C)C)C(c2cccnc2)N2NC=NC2=N1
+,,,,,,,,,,,,,0.0,,,,CID823709,O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID1942686,Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)c1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID2323562,CCCCN(C(=O)NC(=O)Nc1ccccc1OC)S(C)(=O)=O
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3218488,Cc1ccccc1C(=O)NC1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1
+,,,0.0,,,,,,,,,,,,,,CID397588,CCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID652469,Nc1ccc(CCc2nc3ccccc3o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5406437,Cc1cc(C)n(C(=O)CNC(=O)/C=C/c2ccccc2)n1
+,,,,,,,0.0,0.0,,,,0.0,,0.0,,,CID668002,CC(=O)N(C)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1791757,COc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)nc(OC)n1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID2214811,O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCCCCC1
+,,,,,,,,,,,0.0,,,,,,CID3113033,CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID2847580,Cc1ccc(-c2nc(N/N=C/c3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID261391,O=c1cc(-c2ccc(F)cc2)oc2ccccc12
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID652780,CCCCC(=O)Nc1ccc(NC(=O)C(C)C)cn1
+,,,,0.0,,,,,,,,,,0.0,,,CID602131,CSc1nc2ccc(S(=O)(=O)NC3CCCCC3)cc2s1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID723927,COc1ccccc1C(=O)Oc1ccc(C(C)C)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID5389501,C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID709144,O=C(CSCc1ccc(Cl)cc1)Nc1nccs1
+,0.0,,0.0,,,,,,,,,,,,,,CID3238018,Cc1cccc(-n2c(=O)[nH]c3c(C(N)=O)nc(C(C)C)nc32)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID828644,O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID1363562,Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(=O)Nc2ccc(Cl)cc2)o1
+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,CID2099919,CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2cccc(C)c2)cc1
+,,,,,,,,,,,,,,,0.0,,CID2925264,CSCCC(C(=O)O)N1C(=O)c2ccc(C(=O)O)cc2C1=O
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID653063,COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(C)=O)cc1OC
+,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,CID3240024,CCN1C(=O)c2cccc3c(NC(=O)c4cccc(N5C(=O)CCC5=O)c4)ccc1c23
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID667141,CC(=O)c1cnc(N2CCCCC2)nc1C
+,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,CID752384,O=C(O)CCN1C(=O)c2ccc(NC(=O)c3cccs3)cc2C1=O
+,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID1288488,COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NCc1ccc2c(c1)OCO2
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3239778,O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID1263277,Cc1nn(C(=O)c2cccs2)c(N)c1-c1ccccc1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID3236493,CCOc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nc3c(c2=O)SCC3)cc1
+,,,,,,,,,,0.0,,,,,,,CID236228,CCN(CC)C(=O)Nc1ccccc1C
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID4907320,O=C(C1CCC(Cn2c(=O)[nH]c3ccccc3c2=O)CC1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,,CID720040,COC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
+,,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,0.0,,CID646094,O=C(CN1CCOCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID865680,Cc1ccc2cc(C#N)c(N3CCN(C)CC3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID751337,CCOc1ccccc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C
+,,,,,,,,,,,0.0,,,,,,CID1092456,CC(=O)Nc1cccc(-c2csc(Nc3ccccn3)n2)c1
+,,,,0.0,,,,,,,,,,,,,CID645308,CC(=O)Nc1sc2c(c1C#N)CCCCC2
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID3239822,COc1cc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)ccc1OC(C)=O
+,,,,,,,,,,0.0,,,,0.0,,,CID742737,COC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
+,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,,0.0,CID655989,O=C(O)CCc1ccc(-c2ccccc2)n1Cc1ccco1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID662791,CCn1c(SCC(=O)c2ccccc2)nnc1-c1cnccn1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID2927321,COc1cc(C2C3=C(CC(c4ccco4)CC3=O)Nc3ccccc3N2C(C)=O)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID6621377,Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1noc2c1CCc1ccccc1-2
+0.0,,,,,,,0.0,,,,,,,,,,CID648117,CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2)CC1
+,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID762224,CCOC(=O)c1cnc(SC)nc1Nc1cccc(F)c1
+0.0,,0.0,,,0.0,,,,,,,0.0,,,,0.0,CID666438,Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21
+,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID3241008,O=C(CCCn1c(SCC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O)NCc1ccco1
+,0.0,,,0.0,,,,,,,,,,,,,CID662686,CC1=Nn2c(nnc2-c2ccccc2Cl)SC1
+,,,0.0,,,,,,,,,,0.0,,,,CID5374863,O=NC1=C(N=O)C2=C(CC1)NON2
+,,,,,0.0,,0.0,,0.0,,,,,,,,CID3242815,CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cccc(OC)c3)o2)CC1
+,,,,0.0,,,,,,,,,,,,,CID3239037,Cc1cc(=O)[nH]c(=S)n1-c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2440088,O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1ccc(-c2nnc3n2CCCCC3)cc1
+,,,,,,,,,,,,,,0.0,,,CID805307,O=C(NCc1ccccc1)c1cc(=O)c2ccccc2o1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3237025,CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(=O)OCC)C(F)(F)F
+,,0.0,,,,,,,,,,,,,,,CID661576,C=CCOC(=O)C1=C(C)NC(SCC(=O)N(CC)CC)=C(C#N)C1c1ccccc1
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID2565823,Cc1ccc2c(CC(=O)OCc3csc(C)n3)coc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2767957,CSc1cc(-c2ccc(Cl)cc2)c(C(=O)N2CCCC2)s1
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID662974,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1nonc1C
+,,,,,,,,,,,,,0.0,,,,CID2131650,C=CCNc1nc(-c2ccc(Cl)cc2)cs1
+0.0,,,,,,,,,,,,,0.0,,0.0,0.0,CID783442,O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Br)o1
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+,0.0,,,,0.0,,,,,0.0,,0.0,,,,,CID5307835,Cc1cccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)c1C
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+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3211878,COc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1OC
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+0.0,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID661479,O=S(=O)(O)c1nc2ccccc2n1Cc1ccc(Cl)cc1
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+,0.0,,,,,,,0.0,,,,,,,,,CID660249,CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O
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+0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID648971,Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)o2)c(C)c1
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+,,,,0.0,,,,,,0.0,,,,,,,CID665794,CC1=Nn2c(nnc2-c2cc(C)[nH]n2)SC1
+,,0.0,0.0,,,,,,,,,,,,,,CID655120,COC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4
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+,,,,0.0,,,,,,,,,,,,,CID383595,CC1CN=C(Nc2ccccc2)S1
+,,,,,,,,,,,,,,0.0,,,CID689210,Cn1nnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,,,,0.0,CID725782,CC(=O)Oc1cc2oc(=O)c3c(c2cc1Cl)CCC3
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID657900,O=c1c(F)cn(C2CCCO2)c(=O)n1Cc1ccccc1Cl
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID121216,CCN(CC)CCNC(=O)c1ccccc1N
+0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0,CID828529,CCCC(=O)n1nc(-c2ccc(Cl)cc2)nc1SC
+0.0,,,,,,,,,,,0.0,,,,,,CID1089289,COc1cc(OC)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID1796669,Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(=O)O)c4C)o3)C2=O)cc1
+,0.0,,0.0,,,,,,,,,0.0,0.0,0.0,,,CID646942,O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1cccnc1
+,,,,,,0.0,,,,,,,0.0,,,,CID2971491,CC1CCCN(C(=O)c2cc(F)c(F)cc2Cl)C1
+,,,,,,,,,,,,,,0.0,,,CID2988316,O=C(c1cc2cc(Br)ccc2o1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID3220765,Cc1cc(C)c(NC(=O)CN2CCC(NC(=O)NC3CCCCC3)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID3806642,COC(=O)C(/C=N/OCc1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID765511,c1ccc(-c2cn3c(n2)CCC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID2264931,Cc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1
+,0.0,,,,,,,,,,,0.0,,,,,CID659210,COC(=O)Cc1n[nH]c(=S)[nH]c1=O
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,,CID5308399,Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1
+,,,0.0,,,0.0,,,,,,,,,,,CID1587352,CN1/C(=C\C(=O)C(F)F)C(C)(C)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1350397,CCCN(CCC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCC2
+,,,,,,,,,,,0.0,,,,,,CID2184138,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCSc1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID220023,Cc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2121796,CCSc1nnc(NC(=O)c2ccc3ccccc3n2)s1
+,,,,,,,,,0.0,,0.0,0.0,,,0.0,,CID872317,CC(=O)c1cc(Cc2csc(C(C)=O)c2)cs1
+,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID648954,CCC(C)(C)n1nnnc1CN1CCN(c2nc3cc(OC)ccc3cc2C#N)CC1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID647753,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(CN2CCCC2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID650569,COC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21
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+0.0,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,CID648346,CCOc1ccccc1NC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1
+,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,,CID2998424,CC(C)(C)c1ccccc1NC(=O)c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID3239816,CCn1c(SC)nc2c(c1=O)SC(C)C2
+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID2282389,CCCCc1ccc(-c2nc(N)n[nH]2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID5533049,Cc1cccc(N/C=C2/C(=O)Oc3ccccc3C2=O)n1
+,,,0.0,,,0.0,,0.0,0.0,,,,,,,,CID1306251,CCOC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID16187283,CC(C)CN1CCN(Cc2nc(C(C)C)cs2)CC1CCO
+,,,,,,,,,,,,,,0.0,,,CID2679296,Cc1csc(NC(=O)C2CCCC2)n1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID3236868,COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1cc(OC)c(OC)c(OC)c1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID5308699,CCOC(=O)N1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID2972662,CCOc1ccc2nc(C(C)O)[nH]c2c1
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID653387,O=C(NCc1ccc2c(c1)OCO2)c1ccc2snnc2c1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID913206,CCOC(=O)c1c(N2CCCCC2)c2ccccc2[nH]c1=O
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID1296735,CCOc1ccccc1N1CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
+,,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID663788,CC(C)(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccnc1
+,0.0,,,,,0.0,,,,,,,,,,,CID663755,CCOC(=O)N1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(Cl)c23)CC1
+,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID3236312,CCOC(=O)N1CCC(NC(=O)Cn2ncc3ccccc32)CC1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID647826,Cc1ccc(-c2noc(C3CCCN(C(=O)C4CCCCC4)C3)n2)o1
+,,,0.0,,,,,,,,,,,,,0.0,CID2345091,C=CCNc1ccc(F)c(F)c1N1CCCCCC1=O
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID3238861,CCOC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID3244525,O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,0.0,,,,,,,,0.0,,CID656132,Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccccc2)n(C)c1=O
+,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID645454,CCOC(=O)C(C#N)C(c1cccnc1)c1c(C)[nH][nH]c1=O
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0,CID653834,O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)NCc1ccco1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID2813183,CCOC(=O)C1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID971614,CCOc1ccccc1NC(=S)NCCc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2539116,Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1
+0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,0.0,CID666634,CN1C(=S)SC(N(O)C(=O)NC2CCCCC2)C1(C)C
+,,,,,,,,,,,,,,0.0,,,CID1869073,CC(/C=N/NC(=O)c1ccncc1)=C\c1ccco1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID726748,O=C(Oc1ccc(Cl)cc1)N1CCCCC1
+,,,,,,0.0,,,0.0,,,,,,,,CID663254,CCOC(=O)C1CCCN(C2CC(=O)N(c3cccc(C)c3)C2=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2879220,Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)c([N+](=O)[O-])c1
+0.0,,,,,,,,,,,,,,,0.0,,CID653037,COc1cccc(-c2csc(N3CCN(Cc4ccccc4)CC3)n2)c1
+,,,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,CID2339352,COc1ccc(Cl)cc1-n1c(C)cc(C(=O)O)c1C
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2056596,CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
+,,,,,,,,,,,,,,0.0,,,CID825262,CSc1cc(C)n(-c2ccc(Cl)cc2)c(=S)c1C(C)=O
+,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,CID664782,Cn1ncc2c1ncn1nc(COc3ccc4ccccc4c3)nc21
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID3239519,CCC1Oc2ccccc2N(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID568849,O=C(CCc1ccccc1)OCC(=O)c1cccc([N+](=O)[O-])c1
+,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,CID646421,O=C(CCSc1nnc(-c2ccncc2)o1)Nc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID6096756,Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(CO)Cc3ccccc3)CC2)cc1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID653316,Nc1nonc1-c1nc2ccccc2n1CC(=O)N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5741725,CCc1nnc(NC(=O)CSC2=NN/C(=C3/C=CC=CC3=O)N2CC)s1
+,,,,,,,,,,,,,,0.0,,,CID2462231,O=C(O)C1CCN(C(=O)COc2ccc(Br)cc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID662128,CCOC(=O)CCNC(=O)c1ccccc1Br
+,,,,,,,,,,,,0.0,,,,,CID5309543,COc1ccc(C)cc1NC(=O)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,,,,,0.0,,,,,,,CID3168424,Cc1nnc(SCc2ccccc2)n1CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID1567497,O=C1/C(=C/c2cccs2)SC(=S)N1c1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID755380,CCn1cc(Br)c(C(=O)Nc2ccc(F)c(Cl)c2)n1
+,,,,,0.0,,,,,,,,,,,,CID1362051,O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cccc(Cl)c2)o1
+,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,CID669409,CC(C)c1ccccc1NC(=O)c1ccco1
+,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,CID665089,Cc1cc(SCC(=O)c2ccccc2)nc(C)n1
+,,,,,,,,,,,,,,0.0,,,CID848197,Cc1cc(OCC(=O)NC(C)C)cc(C)c1Br
+,,,,,,0.0,,,,,,,,,,,CID659217,COc1ccc2c(c1OC)C(=O)OC2c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
+,,0.0,,,0.0,,,,,,,,0.0,,,0.0,CID663448,CCOC(=O)CNC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
+0.0,,,,0.0,,,,,,,,,0.0,0.0,0.0,0.0,CID652348,COc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)n1C
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID2888884,CCC(C(=O)Nc1nccs1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2239591,COCCNC(=S)c1ccc(Br)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID658719,N#CN/C(N)=N/c1cccc(Cl)c1
+,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID731919,Cc1ccccc1CSc1nc(=O)c(C)n[nH]1
+0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,0.0,CID50496,Nc1c(N2CCN(c3ccccc3)CC2)c2ccccc2oc1=O
+,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,,CID752439,CCCC(=O)Nc1cccc(-c2cn3ccsc3n2)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID3240203,O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
+,,,,,,,,,,,,,0.0,,,,CID9550550,Cc1cc(N2CCCCC2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID2975802,Cc1ccc(S(=O)(=O)N2c3ccc(S(N)(=O)=O)cc3CC2C)cc1
+,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,CID663297,CCc1cc(N2CCOCC2)cc2c1[nH]c1ccccc12
+,,,,,,,,,,,,0.0,0.0,,0.0,,CID2998006,CCCCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2cc(S(N)(=O)=O)ccc21
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID3243631,COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(C)c(=O)c2cc1OC
+,,,,,,,,,,,,,0.0,,,,CID375280,O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccccc1
+0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID5309193,Cc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3sccc3n12
+,,0.0,,,,0.0,,,,,,,,,,,CID3235755,COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4cccc(Cl)c4)CC3)ccc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID3243351,Cc1nonc1NC(=O)OC1CCCCC1
+0.0,,,0.0,,,,,,,0.0,,,,,0.0,,CID2227183,CN1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID848727,Cc1nc2ccccc2n1CC(=O)NCCN1CCOCC1
+,0.0,0.0,,,,,0.0,,,,,,,0.0,,,CID952495,O=C(Nc1cccc2ncccc12)c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID4342214,CCCSc1cc(=O)n(-c2ccccc2)nc1C(=O)OCC
+,,,,,,,,,,,,,,0.0,,,CID1237228,CCOC(=O)N/N=C1\CCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID5949233,N#C/C(=C\c1ccccc1)C(=O)NC(=O)Oc1ccccc1
+,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,CID656237,COc1ccccc1-c1ccc(=O)n(CC(=O)NC(C)(C)C)n1
+,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID974946,CC(C)(C)c1csc(NC(=O)Cn2cnc3ccccc3c2=O)n1
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID3237495,CC(=O)c1ccc(N2CCN(C(=O)c3ccc(NC(=O)C4CCCO4)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16188118,CCc1ccc(C2=NN(CCC(=O)N3CCC4(CC3)OCCO4)C(=O)CC2)cc1
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID850036,CCOc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID2202913,N/C(=N\N=C\c1cccc(O)c1)c1nonc1N
+,,,,0.0,0.0,,,,,,,,,,,,CID3242140,CCN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(C)cc1)c1cccc(C)c1
+,,,,,,,,,,0.0,,,,,,,CID9551223,COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1
+0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID971285,COc1ccc(NC(=O)NCc2ccccn2)cc1OC
+0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,CID655913,COc1ccccc1NC(=O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1474906,CSc1nc2c(c(OC(=O)c3ccc(Cl)cc3)n1)CCCC2
+,0.0,,,,,,0.0,,,,,,,,,,CID3243766,CCc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID808382,O=[N+]([O-])c1ccc(COc2ccccc2/C=N/O)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID5309570,CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,,,,,,,,,,,,,0.0,,,CID927295,Cc1cc(C)c(NS(=O)(=O)c2cccc3cccnc23)c(C)c1
+,0.0,,,,,,0.0,0.0,0.0,,,,,,0.0,,CID2975271,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2ccco2)cc1
+,,,,,,,0.0,,,0.0,0.0,,,,,,CID63399,O=c1nc(CN2CCN(c3ccccc3)CC2)[nH]c2ccccc12
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID3237758,O=C(Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc2c(c1)OCCO2
+,0.0,,,,,,,,0.0,,,,,,,,CID666551,O=C1CCCc2nc(N3CCN(Cc4ccccc4)CC3)ncc21
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,,CID648042,Cc1ccc(NCc2nnc(SCC(=O)NCCc3ccccc3)n2C)cc1
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0,CID3238294,COc1ccccc1NC(=O)CN1CCN(c2ccc(Cl)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2872001,O=[N+]([O-])c1cc(F)c(N2CCOCC2)cc1N1CCCCC1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID709787,COc1ccc(Cn2nnc(C(=O)Nc3ccc(F)cc3)c2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID5340670,O=C1C=CC(=CNNc2cc(N3CCCC3)nc(N3CCCC3)n2)C=C1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID5310387,O=C(CCn1c(=O)sc2ccccc21)NCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID897716,O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CC1
+,,,,,,,,,,,,,0.0,,,,CID973403,CNC(=O)COc1ccc(Cl)c2cccnc12
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID664541,COC(=O)C(Cc1ccccc1)NC(=O)Nc1ccc(S(N)(=O)=O)cc1
+,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,,CID660122,O=C(NCc1ccco1)c1ccc(=O)[nH]n1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3243554,COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(Cl)ccc1OC
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID2885830,COc1ccc(NC(=O)C2CCCNC2)cc1OCC(C)C
+,,,,,,,,,,0.0,,,,,,,CID2842800,COc1ccc(CC(=O)N2CCCC(C)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID545020,CCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1
+,,,,,,,,,,,,,,0.0,,,CID3410870,COc1ccc(C(=O)N/N=C/C2CC=CCC2)cc1OC
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID662682,CC(NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(Br)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID886528,CC(=O)Nc1c(-c2ccc(C)cc2)nc2ccc(Cl)cn12
+0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID2159396,COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cccc(C)c1
+,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,,CID1079377,COc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)O)c3c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1444561,CN1CCN(C(=O)C2(NC(=O)Nc3ccccc3Cl)CCCCC2)CC1
+,,,0.0,,,,,,,,,,,,,,CID3245109,CCN1CCN(C(=O)CCN2C(=O)COc3ccc(C)cc32)CC1
+0.0,,,,,,0.0,,,,,,,,,,,CID3241844,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCCc2ccccc2)cc1
+0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,CID663703,COc1cc(-c2nc(-c3ccc(C)nc3OC)no2)cc(OC)c1OC
+,,,,,0.0,,,0.0,0.0,,0.0,,,,,,CID2361559,Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3o2)n1
+,,,,,,,0.0,,,,,,,,,,CID3241860,O=C(CC(C(=O)N1CCc2ccccc21)n1ccnc1)NCC1CCCO1
+,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID2410253,C=CCn1c(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc2sc(CC)cc2c1=O
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID1034422,N=c1c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID4883020,O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID583439,COc1ccccc1NC(=O)CSCc1nc2ccccc2[nH]1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID2948117,CC1c2[nH]c3ccccc3c2CCN1C(=O)Nc1ccccc1
+,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,CID655484,CCOC(=O)c1cc(=O)n2[nH]c(-c3ccc(C)cc3)cc2n1
+,,,,,,,,,,0.0,,,,0.0,,,CID1987855,NCCNC1=NS(=O)(=O)c2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID1489229,Cc1ccccc1C(=O)c1c[nH]c(C(=O)NCc2cccs2)c1
+,0.0,,,,,0.0,,,0.0,,,,,0.0,,,CID658796,CC(=O)/N=C(/Nc1ccc(NC(C)=O)cc1)Nc1nc(C)cc(C)n1
+0.0,,,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,CID743370,Cc1c(CN2CCC(C)CC2)c(=O)n(-c2ccccc2)n1C
+,0.0,,,,,,,,,,,,,,0.0,,CID645218,COc1ccc(-n2nnnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID5421497,C/C(NCc1ccco1)=C1\C(=O)NC(=O)N(c2ccccc2)C1=O
+,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,CID2421577,COC(=O)CCc1c(C)c(C(=O)c2ccco2)c2ccccn12
+,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,CID2854444,CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC
+,,,,,,0.0,,,0.0,,,,,,,,CID651772,CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,0.0,,0.0,,,,,,CID591367,CCOc1ccccc1N1CCN(Cc2ccco2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1518978,COC(=O)c1cc(=O)n(CCc2ccc(OC)cc2)/c(=N/c2ccc(F)c(Cl)c2)s1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID2549759,Cc1ccc(-n2c(SCn3nnc4ccccc4c3=O)nnc2-c2cccnc2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1153510,CCCn1c(O)c(C(=O)Nc2nc3ccccc3s2)c(=O)c2c1CCCC2
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID1931756,C=CCOn1c(=O)c(-c2ccc(OC)c(OC)c2)[n+]([O-])c2ccccc21
+,0.0,0.0,,0.0,,,,,0.0,,,,,,,,CID2289104,Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID1310185,Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID753277,COc1ccc(-c2nc(N)n(C(=O)Cc3ccccc3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID4582890,Cc1cc(C)c(S(=O)(=O)NCC(=O)O)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2348966,Cc1c(C=O)c2ccccn2c1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,,0.0,,,CID2216374,Cc1cc(OCCCCN2C(=O)NC(C)(C)C2=O)ccc1[N+](=O)[O-]
+,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,CID2225476,Cc1c(C(=O)NCc2ccccn2)oc2ccccc12
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID650742,CCCS(=O)(=O)C(=C1NCCO1)S(=O)(=O)CCC
+,,,,,,,,,,,,,,0.0,,,CID3132915,Cc1csc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1
+,,,0.0,,,,,,,0.0,,,,,,,CID2966359,CCC1=Nc2ccccc2-c2nnc(SC)nc2O1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID879262,CCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1
+,0.0,0.0,,,,,,,,,,,,,,,CID1116253,Cn1c(=O)c2c(ncn2CC(=O)N2CCc3ccccc3C2)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID741770,O=C(O)c1ccc2c(c1)C(=O)/C(=C\c1ccco1)C2=O
+,,,,,,,,,,,,,0.0,0.0,,,CID914602,O=C(O)/C=C/C(=O)N(Cc1ccccc1)Cc1ccco1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID653685,COc1cccc(-c2nnn(CC(=O)O)n2)c1
+,,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID5389757,O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/NCc1cccnc1
+,,,0.0,,,,,,,,,,,,,,CID663633,NC(=O)C1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID3533774,Cc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,CID976061,COC(=O)Nc1nnc(SCc2ccc(C)cc2)s1
+,,,,,0.0,0.0,,,,0.0,,0.0,,,,,CID3238522,COc1ccc(N2C(=O)C3CCCN3C2c2ccc(C)cc2)cc1Cl
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+,,,0.0,,,,,,,,,,,,,,CID664982,CCc1nc(NC(Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID561453,Nc1ncnc2nc(SCc3ccccc3)[nH]c12
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+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,CID1306574,COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1N
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+,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID647921,Cc1ccc(CC(=O)Nc2nncs2)cc1
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+,0.0,,,,,,,,,,,,,,,0.0,CID935078,COC(=O)CSc1nc(NC(C)C)nc(N2CCOCC2)n1
+,,,,,,,,0.0,,,,,,,,,CID652137,O=C(CN(Cc1ccccc1Cl)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID692344,Brc1ccc(CSc2nnc(-c3ccco3)o2)cc1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID662268,CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
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+,,,,,,,,,,,0.0,,,,,,CID1225695,Cc1ccc(NC(=O)N2CCc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID1481107,Clc1ccc(SCc2cc(-c3ccc(Cl)cc3)on2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5308911,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCOCC1
+0.0,,,,,,,,,,,,,,,,,CID3235899,CCOCCCNC(=O)C1CCN(c2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)CC1
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+,,,,,,,,,,,,,0.0,,,,CID5800726,COc1ccc(/C=C2\CCCC3C2=NN(C(=O)COC(=O)CNC(=O)c2ccccc2)C3c2ccc(OC)cc2)cc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID3244870,C=CC/N=c1\sc(C(=O)OC)cc(=O)n1CC=C
+,0.0,,0.0,,,,,,,,,,,,,,CID662904,CCC1(C)Cc2c(sc(NC(=O)CCC(=O)O)c2C#N)CO1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2122711,CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C
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+,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,CID2341961,CCOC(=O)c1ccc(N2C(=O)C(C)=C(C)C2=O)cc1
+,,,,0.0,,,,,,,,,,,,,CID654544,O=C(CC1CC2CCC1C2)NCc1cccs1
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+,,,,,0.0,,,,,,,,,,,,CID2764975,Cc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1
+0.0,,,,,,,,,,,,,,,,,CID651316,COCCn1nnnc1C(c1ccc(OC)c(OC)c1)N1CCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID2594459,O=C(CN1CCCCC1)Nc1cccc(Oc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID7162316,O=C(NCc1ccco1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID7312244,CCOc1ccc(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)cc1
+,,,,,,,,,,,,0.0,,,,,CID4393835,Cc1nc2sc(C(c3cccs3)N3CCN(C(=O)c4ccco4)CC3)c(O)n2n1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2427752,CC(C)(C)NC(=O)COC(=O)c1ccc(O)cc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID973007,CC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID5309304,O=C(NCC1CCCO1)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID880072,Cc1cc(C=O)c(C)n1C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID4353397,C=C(C)C1CC=C(C)/C(=N/NC(=O)CNc2ccc(OCC)cc2)C1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID738196,c1cnn(-c2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1
+,,,,0.0,,,,,,,,,,,,,CID1923620,C=CCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12
+,,,,,,,,,,,,,0.0,,,,CID3111561,CCOC(=O)C(Cc1ccc(OC)c([N+](=O)[O-])c1)NC(=O)CCC(=O)Nc1ccc(OC)cc1
+,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID973438,O=C(NC(c1ccccc1)c1ccccc1)N1CCN(CCO)CC1
+0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,,CID891626,Cc1cccc(OCC(=O)NCCN2CCOCC2)c1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID839142,O=C(CSCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,0.0,,,,0.0,CID654213,O=C(Nc1ccc(F)cc1F)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID1363808,CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c1
+,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID3239796,CCOC(=O)c1c(C)c(C(=O)NCc2ccccn2)c(C)n1C
+0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID873825,O=C(NCCN1CCOCC1)Nc1ccc(Cl)cc1
+0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,,CID1915027,COc1ccc2[nH]cc(C(=O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1
+,,,,,,,,,,0.0,,0.0,,,,,CID1263066,Cc1ccc(N2C(=O)c3ccc(C(=O)NCCN4CCOCC4)cc3C2=O)cc1
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+,,0.0,0.0,,,,,,,,,,,0.0,,,CID661798,CC(C)n1c(-c2cccnc2)nc2cnccc21
+,0.0,,,,0.0,,,,0.0,,,0.0,,,,,CID2999702,O=C(CN1C(=O)NC2(CCSC2)C1=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1676177,CN(C)c1ccc(/N=C/C=C2\N(C)c3ccccc3C2(C)C)cc1
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2216937,O=S(=O)(N1CCCCC1)n1nnc2ccccc21
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+,,,,,,,,,,,0.0,,,,,,CID1560351,C=CCNC1=C(Cl)C(=O)N(c2cccc(Cl)c2Cl)C1=O
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+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID650208,Cc1cccc2c1nc(-c1ccccc1)n1cnnc21
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+,,,,,,,,0.0,,,0.0,,,,,,CID2942479,CCC(C)NC(=O)c1ccccc1NC(=O)COc1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID1252029,COc1cc(NC(=O)COC(C)=O)cc(OC)c1OC
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+,,,,,,,,,,,,,0.0,,,,CID2085926,COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c1OC
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+,,,,0.0,,,,,,,,,,,,,CID3242578,CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
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+0.0,,,,,,,,,,,,,,,,0.0,CID644477,CCc1nnc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)s1
+,,,,,,,,,,,,,,0.0,,,CID231378,O=c1[nH]ccc2c([N+](=O)[O-])cccc12
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+,,,,,,,,0.0,,,0.0,,,,,,CID2228143,CCOC(=O)c1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
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+,,,,,,,,,,,,,0.0,,,,CID4176929,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID874549,Cc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]
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+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2218950,Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cnccn1
+0.0,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID664485,CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc2c(c1)OCCO2
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+,,0.0,,,,,0.0,,,,,,,,,,CID664881,CCc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccco4)C3C2=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2091212,CCOc1ccccc1NC(=O)COC(=O)CSc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID841436,Cc1c(/C=N/NC(=O)c2ccc(F)cc2)cnn1C
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID658739,CCOC(=O)C(NC(C)=O)(N1CCc2ccccc2C1)C(F)(F)F
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID2246529,Cc1ccc(C)c(OCCOCCN2CCOCC2)c1
+,,,,,,,,,,,0.0,0.0,0.0,0.0,,,CID1817983,CCCCn1nnnc1NCc1ccc(OC)c(OC)c1
+,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,CID976732,COC(=O)COc1cccc(NC(=O)c2cccs2)c1
+,,,,,,,,,,,0.0,,,,,,CID2140530,O=C(COc1ccccc1)Nc1nonc1NC(=O)COc1ccccc1
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID2981812,CC(Sc1nc(N(C)C)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3930852,COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/Nc2ccc3ccccc3n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID988603,COc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(C)cc1
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+,0.0,,,,,0.0,,,,,0.0,,,,,,CID2999613,Cc1cc(C(=O)NCC(c2ccco2)N(C)C)no1
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+,,,,,,,,,,,,,,0.0,,,CID2322024,O=C(N/N=C/c1coc2ccccc2c1=O)c1cn(-c2ccccc2)nc1-c1ccccc1
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+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID781754,O=C1N=C(N2CCCCC2)SC1=C1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID16188830,O=C(c1cccc2ccccc12)C1CCCN(C(=O)CCN2CCCO2)C1
+,,,,,,,,,,,,0.0,,,,,CID5389833,COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2ccccc2F)cc1Cl
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+,,0.0,,,,,,0.0,,,,,,,,,CID2998209,Cc1noc(C)c1COc1ccc(C(=O)OC(C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
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+,,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID3245909,CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N(C)Cc4ccccc4)c(=O)c3c2)CC1
+0.0,,,,,,,,,,,,,,,,,CID662237,Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O
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+,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,0.0,,CID2090852,Cc1cc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)no1
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+,,,,,,,,,,,,,,0.0,,,CID2030970,O=C(O)CCN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S
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+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID653977,CCCCCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O
+0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,CID665732,CCC(=O)Nc1ccc2c(c1)ncn2-c1ccccc1OC
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID660102,Cc1c(=O)n(OCc2c(F)cccc2F)c2ccccc2[n+]1[O-]
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+0.0,,,,0.0,,,,,,,,,,,,,CID655556,COc1ccc(CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c2ccc(F)cc2)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID4160902,COC(=O)Cn1/c(=N/C(=O)CSCC(=O)Nc2cc(C)on2)sc2ccccc21
+0.0,,,,,,,,,,,,,,,,,CID1235027,CC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)cnn1-c1ccccc1Cl
+,,,,,,,,,,,,0.0,,,,,CID5771467,COc1cccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccc5c(c4)OCO5)N3N2)c1
+,,,,,0.0,,,,,,,,,,,,CID5349625,Cc1cccn2c(=O)c(/C=C3\SC(=S)N(C(C)c4ccccc4)C3=O)c(NCCCn3ccnc3)nc12
+0.0,,,0.0,,,,,,,,,,,,,,CID1250898,CN1CCN(CC(=O)Nc2ccc(Cl)cc2Cl)CC1
+,,,,,,,,,,,,,,0.0,,,CID891802,CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1941616,Cc1cccc(-c2noc(CCCC(=O)N3CCOCC3)n2)c1
+0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID2997529,Cc1noc(C)c1CSc1nc2ccccc2n1C
+,,,,,,,,,,0.0,,,,,,,CID1264499,N#Cc1ccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)cc1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID654649,CCOC(=O)Cn1cc(C(=O)OC)c2ccccc21
+,,,,,,,,,0.0,0.0,,,0.0,0.0,,,CID2147587,O=C(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID899169,COc1ccc(C)cc1NS(=O)(=O)c1cc(C)ccc1C
+0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,0.0,CID664587,N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCc1ccco1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID2123716,Cc1noc2nc(-c3cccs3)cc(-c3nnc4n3CCCCC4)c12
+,,,,,,,,,,,0.0,,,0.0,,,CID1355548,CN(C)c1ccc(/C=N/NC(=O)C(O)(c2ccccc2)c2ccccc2)o1
+,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,CID667151,O=C(COc1ccccc1)Nc1ccc2c(c1)nc1n2CCOC1
+,,,,,0.0,0.0,0.0,,,,,,0.0,,,,CID666711,CCC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5307091,CC1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,,CID1259056,CCOC(=O)N1CCC(NC(=O)c2cnn3cccnc23)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID2911882,C=CCOc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1201887,Cc1cccc(CSc2nc3c(cc2C#N)CCC3)c1
+,,,,,,0.0,,,,,,0.0,,,,,CID930113,Cc1ccccc1-n1nc(C(=O)O)c(C)c(C#N)c1=O
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID2085296,CCn1c(SCC(=O)c2cc(C)n(C)c2C)nnc1-c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID651823,COc1ccc2c(c1)c1nnc(SCC(=O)N3C(C)CCCC3C)nc1n2C
+,,,,,,,,,0.0,,,,,,0.0,,CID5310507,O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)N1CCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID4031359,CCOc1ccc(OCCOc2ncnc3ccccc23)cc1
+0.0,,,0.0,0.0,,,,,,,,0.0,,,,,CID2999594,Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)N3CCC(C)CC3)cc12
+,,,,,0.0,,,,,,,,,,,,CID6181222,COc1ccc(NC(=S)N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)cc1
+,,,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,,,CID652471,COc1ccccc1-c1nc(-c2ccncc2)no1
+,,,,,,,0.0,0.0,,,,,,,,,CID2981287,CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CC(C)OC(C)C1
+,,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,,CID2975426,c1ccc(CCc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2101504,CCCCNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID2847444,CCN(CCNc1ccc(Cl)cc1[N+](=O)[O-])C(=O)c1cc([N+](=O)[O-])c(N(C)C)cc1OC
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID2081549,CC(=O)c1c(C)[nH]c(C(=O)OCc2nnc(-c3ccccc3)o2)c1C
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID823064,O=c1c2ccccc2nc(-c2ccco2)n1-c1cccnc1
+,,,,,,,,,,,,0.0,0.0,,,,CID936550,CCc1cc(=O)oc2cc(OCC(=O)O)c(Cl)cc12
+,,,,,,,,,,,,,0.0,,,,CID3259517,Cc1ccc(NC(C)C(=O)N/N=C/c2ccc([N+](=O)[O-])s2)cc1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2282581,COc1ccc(OCCOC(=O)Nc2ccccc2)cc1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,CID655431,CSC1=C(C#N)C(c2ccccc2Cl)C2=C(CCCC2=O)N1
+,,,,,,,,0.0,,,0.0,,,,,,CID1246768,CCOC(=O)c1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1
+,,,0.0,,,,0.0,0.0,,,0.0,,,,,,CID654711,COCCNC(=O)C(OC(=O)c1cccs1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4553004,CCCCN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]c(=O)oc2c1
+,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,0.0,0.0,CID767833,Cc1cc(NC(=O)CCn2c(=O)sc3ccccc32)no1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID870003,Cc1ccc(-c2cc(C(=O)N/N=C/c3ccco3)[nH]n2)cc1
+,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,CID2963110,O=C(Cc1c(F)cccc1Cl)NCC1CCCO1
+0.0,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,0.0,CID665196,COc1ccc(CCNC(=O)CSc2nc(C)nc3c2oc2ccccc23)cc1OC
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID332978,O=C1Nc2ccccc2C12Nc1ccccc1S2
+,,,,,,,,,,,0.0,,,,,,CID2419240,CC(C)NC(=O)COC(=O)c1cc(F)c(F)cc1Cl
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID5307296,COc1ccc(N(C)C(=O)c2ccc3snnc3c2)cc1
+,,,,,,0.0,,,,,0.0,,0.0,,0.0,,CID716787,COC(=O)c1ccc(S(=O)(=O)N2CCCC2)o1
+,,,,,,,,0.0,,,,,,,,,CID659736,CCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID3601490,CCc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID624519,N#Cc1cc(Oc2ccc(Cl)cc2)c(N2CCOCC2)cc1C#N
+,,,,,,,,,,,,,,,0.0,,CID2838739,COc1ccc(C2C(C#N)=C(N)Oc3cc(N)ccc32)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID888310,Cc1cc(C)c(C)c(OCC(=O)N2CCCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2912459,Cc1ccccc1OCC(=O)OC(C(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2287929,CCOC(=O)c1cccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)c1
+,,,,,,,,,,,,,0.0,,,,CID4166432,CCC(=O)Nc1cc(C(=O)O)ccc1Sc1ccc(Cl)cc1
+,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID3238798,Cc1ccsc1-c1nc(CSCC(=O)NCCN2CCCC2)c(C)o1
+,,,,,0.0,,0.0,,,,,,0.0,,,,CID2178533,O=C1c2ccccc2C(=O)N1CSc1ncccn1
+,,,,,,,,,,,,,0.0,,,,CID37839,CC1(C)CC2C=C(C=O)C3(C=O)CC3(C)C2C1
+,,0.0,,,,,,,,,,0.0,,,,,CID1080188,Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C(C)C)c3nc12
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID664522,N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1
+,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,CID696828,C=CCc1cccc2cc(C(=O)N(C)C)c(=O)oc12
+,,,,,,,,,,,,,,0.0,,,CID738367,O=C(Cn1cnc2ccccc2c1=O)c1ccc(Br)cc1
+,,,,,,,,,,,,0.0,,,,,CID2357242,COCCNC(=O)Cc1nc2ccccc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2896205,C=CCSc1nnc2c(n1)OC(c1c(C)[nH]n(-c3ccccc3)c1=O)Nc1ccccc1-2
+,0.0,,,,,,0.0,,,,,,,0.0,0.0,,CID660753,Clc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2
+,,,,,,,,0.0,0.0,,,,,,,,CID752302,NC(=O)C1CCN(C(=O)CSc2nc3ccccc3o2)CC1
+,,,,,,,0.0,,,,,0.0,,,,,CID2843129,CC(=O)OCc1cc(=O)n(C)c(=O)n1C
+,,,,,,,,,,,,,0.0,,,,CID3149567,CC/N=C1\SC(CC(=O)NCC)C(=O)N1CC
+0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,,CID659534,COc1cc2[nH]c(=O)n(-c3cccc(Cl)c3)c(=O)c2cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1090725,O=C(COc1ccc(-c2ccccc2)cc1)N1CCCC1
+,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,CID747932,COC(=O)CSc1nnc(-c2ccccc2OC)o1
+,,,,,,,,,,,,,,0.0,,,CID16189121,Cc1ccsc1C(=O)C1CCCN(Cc2cc3ccccc3o2)C1
+,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,CID1262881,CC(=O)Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
+0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,CID648923,COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2126150,Cc1ccc(/C=C/C(=O)Nc2nnc(SCc3ccc(C#N)cc3)s2)o1
+,,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID1203196,COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID2962920,O=C1OCCC1Sc1nnc(-c2cccc(Br)c2)o1
+,,,,,,,,,,,,,0.0,,,,CID3116657,O=C(CNC(=O)c1cccs1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,0.0,,,,,,,CID3617222,O=C(NCc1ccccc1)c1cc(=O)[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2127579,CCCCNC(=O)Nc1nnc(-c2ccccc2)o1
+,,,,,,,,0.0,0.0,0.0,,0.0,,,,,CID2327941,O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,,CID2998417,CCOC(=O)c1ccccc1NC1CC(=O)N(c2ccccc2C)C1=O
+,,,,,,,0.0,,,,,,,,,,CID593113,CCCC(=O)C1C(=O)NC(=O)NC1=O
+,,0.0,,,,,,,,,,,,,,,CID5389863,COc1ccc(C2CC(c3ccccc3)N3NC(NC(=O)c4cccs4)=NC3=N2)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID644431,CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID648327,COc1cccc(N(CC(=O)Nc2ccccc2C)S(C)(=O)=O)c1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3245843,Cc1ccc2cc3cc(C(=O)N4CCCCC4C)oc3nc2c1
+,,,,,,,,,,,,,0.0,,,,CID3176056,CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(OC)cc1
+,,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID2998177,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c2ccccc2n1
+0.0,,,,0.0,,,,,,,,,,,,,CID648377,Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccc(C(F)(F)F)c3)C2)n1
+,0.0,,,,,,,,,,,,,,,,CID2943113,C=CCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)OC)cc1Cl
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID723044,c1ccc2[nH]c(-c3ccnc4ccccc34)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID5344654,CCOC(=O)N1CCN(C(=O)/C(=C/c2ccccc2OC)NC(=O)c2ccccc2)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID655194,CCn1c(SCC(=O)Nc2nc3ccc(OC)cc3s2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID3237299,CN1CCN(CCCNC(=O)Nc2cccc3ccccc23)CC1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID661347,Cc1ccc(N2C(=O)CC(Cn3nc(C)cc3C)C2=O)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID536254,CC(=O)CC(C)(C)S(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,,,0.0,,CID2788336,COc1ccc(OC)c(NC(=O)C2COc3ccccc3O2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID3154235,CC1CCCN(C(=O)CSc2nc3ccccc3o2)C1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2966047,CCN1C(=O)NC(c2cc(Br)ccc2OC)C(C(=O)OC)=C1C
+,,,,,,,,,,0.0,,,,,,,CID7401514,COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1
+,0.0,,,,,,,,,,,,,,,,CID3238467,CCOC(=O)c1c(C)c(C(=O)N2CCC3(CC2)OCCO3)c(C)n1CC
+,,,,,,,0.0,,,,,,,,,,CID557261,CCCCS(=O)(=O)NC1=NCN(Cc2ccco2)CN1
+,,0.0,,,,,,,,,,0.0,,,,,CID647565,O=C(NCc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID1448074,CC(=O)NC1(c2ccccc2)CCN(c2cc(C)nc(-c3ccccc3)n2)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID658267,CCCc1nc(N2CCCC2)c(C#N)c2c1CCCC2
+,,0.0,,,,,,,,,0.0,,,,,,CID2576453,CCCc1nc2ccccc2c(C(=O)OCc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1CC
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,,CID3245771,Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCc3ccccc32)c2ccco2)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID1201987,COc1ccc(S(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1OC
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID4148825,COc1ccc(CNC(=O)c2cnc3scc(C)n3c2=O)cc1
+,,,,,,,,,,,,0.0,0.0,,0.0,,CID646095,CC(C)OC(=O)CSc1nnc(-c2ccccc2)n1CC1CCCO1
+,,,,,,,,0.0,,,,0.0,,,,,CID3245757,CC(C)(C)OC(=O)N1CCCC1C(=O)NC(Cc1ccccc1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID4635383,Cc1cnc(C(=O)OCC(=O)NC(C)CCc2ccccc2)cn1
+,,,,,,0.0,,,,,,,,,,,CID1380355,CCN(CC)c1nc(N)nc(NS(=O)(=O)c2ccc(Cl)cc2)n1
+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID650588,Cc1cc2nc(SC(C)C(=O)O)[nH]c2cc1C
+,,,,,,,,,,,,,0.0,,,,CID4684835,Cn1c(=O)c(Nc2ccc(Cl)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5307940,Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1N1CCCC1=O
+0.0,,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,CID647099,CN1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1226236,O=C(NCc1cccnc1)c1ccc(COc2ccc(Cl)cc2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1825763,CCCC(=O)Nc1ccc(C(=O)Nc2nnc(COCC)s2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2787268,CC(=O)c1cccc(NC(=O)Nc2ccc(C)cc2)c1
+,0.0,,,,,,,,,,,,,,,,CID667016,Cc1cc(C)nc(N/C(=N/CCc2c[nH]c3ccccc23)NC(=O)c2ccco2)n1
+,,,,,,,0.0,,,,,0.0,,,,,CID5771497,CCOc1cc(C2C(C(=O)c3ccc(C)cc3)=C(C(=O)OC)N=C3N=NNN32)ccc1O
+,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,CID1259858,O=C(c1ccco1)N(Cc1ccco1)c1ccc(O)cc1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID973503,O=C(Cc1ccccc1)Nc1cccc(N2CCCC2)c1
+,,0.0,,,,,,,,,,0.0,0.0,,,,CID2999879,CC1(C)Cc2cccc(OCC(=O)O)c2O1
+,,,,,,,,,0.0,,,,,,,,CID3762378,COc1cccc(CN2C(=O)Nc3ccccc3C(=O)N2C(C)(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID850702,COc1ccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1479997,O=C(NCc1ccc(C(=O)O)cc1)OCc1ccccc1
+,,,,,,0.0,,,,,0.0,,,,0.0,,CID649356,Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2783649,CC1=[N+](C)c2ccc3ccccc3c2C1(C)C
+,,0.0,,,,1.0,,,0.0,,,,,,,,CID1245502,CCc1ccc(C(=O)NCc2cccs2)s1
+,,,,,,,,0.0,,0.0,,,,,,,CID652429,O=C(NC1CCCC1)C(c1ccc(N2CCOCC2)cc1)N(Cc1ccco1)C(=O)c1ccco1
+0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,CID2380105,O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCO2
+,,,,0.0,,,,,0.0,,,,,,,,CID3240524,CNc1csc(C)c(C)c1=O
+,0.0,,,,,,,,,,,,,,,,CID4204380,O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccnc1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,CID866699,Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1C
+,0.0,,,,,,,,,,,,,0.0,,,CID651880,COCC(=O)N(C)c1nnc(-c2cnccn2)s1
+,,,,,,,,,,,,0.0,,,,,CID5310381,O=C(CSc1ccc2nnc(-c3ccccc3)n2n1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,0.0,,0.0,0.0,,,,0.0,CID5310007,CCN1CCN(CC(=O)NC2CCCCC2)C(=O)C1=O
+0.0,,,,,,,,,0.0,,,,,,0.0,0.0,CID2428910,O=C(COc1ccccc1Cl)NCCCN1CCOCC1
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID2412175,Cc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)ccc1Br
+,,,,,,,,0.0,,,,,,,,,CID2491919,Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3cccc(Cl)c3Cl)CC2)no1
+,,,,,,,,,0.0,,,,0.0,,,,CID808117,CCNC(=O)COc1cc(C)c(Cl)c(C)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID1451140,COC(=O)CSc1nnc(C)n1-c1cccc(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID3704812,COc1ccc2c(c1)c(C(O)CN1CCC(Cc3ccccc3)CC1)c(C)n2C
+,,,,,0.0,,,,,,,,,,,,CID689975,O=C(COc1ccccc1)Nc1cccc([N+](=O)[O-])c1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID664813,Cc1cc(C)n(-c2c(F)c(F)c(CN3CCOCC3)c(F)c2F)n1
+,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,CID976706,Cn1nnc2cc(C(=O)Nc3cccnc3)ccc21
+,,,,,,,,,,,,,,,,0.0,CID3243931,COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3)c2C)CC1C
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID3242355,Cc1ccc(C)c(N(C)S(=O)(=O)c2cccc3nsnc23)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID3241291,Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3nnc(C)c-3c2N)cc1Cl
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID4600623,CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)N3CCc4ccccc43)ccc12
+,,,,,,,,,,,,0.0,,,,0.0,CID647619,Cc1ccc2cc(CN(Cc3nnnn3C3CCCC3)C3CCCCC3)c(=O)[nH]c2c1C
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID1095473,Nc1[nH]c(SCC(=O)N2CCc3ccccc32)nc(=O)c1-c1ccccc1
+,,,,,0.0,,,,,,,0.0,,,,,CID5742483,COc1ccc(C2=CS/C(=C(\C#N)C(=O)CSc3nccn3C)N2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID1313620,Cc1ccc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc1
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID3937248,CCOC(=O)C1C(=O)Oc2ccc3ccccc3c2C1C1CCOC1=O
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID3240192,Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1cccnc1)CC2
+,,,,,,,,,0.0,,,,,,,,CID825197,Cc1c(O)n2c(cc1=O)C(C)(C)c1ccccc1-2
+,,,,,0.0,,,,,,,,,,,,CID1290765,Cc1cc(C)c(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)c(C)c1
+,,,,,,0.0,,,,,,,,,,,CID5389908,CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)cc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID20279,Nc1nc(Cl)nc2c1ncn2C1CC(O)C(CO)O1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID5308774,Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1
+0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID5309055,O=C(c1cc(-c2ccc(Cl)c(Cl)c2)on1)N1CCCC1
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID662068,CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(Cc3ccccc3Cl)c(C)nc21
+0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,,CID650453,Cc1cccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)o2)c1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID1223459,Cc1csc(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)n1
+,,,,,,,0.0,,,,,,,,,,CID3246767,COC(=O)C(C(=O)NCC1CCCO1)C1CCCCCC1
+,,,,,,,,0.0,,,,,,,,,CID2933619,COC(=O)c1c(NC(=O)C2CC=CCC2C(=O)O)sc(C)c1C
+,,,,,0.0,,,,,,,,,,,,CID891134,CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(C(C)(C)C)s2)c1
+,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,CID660293,COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c12
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID646061,O=C1CC(c2ccc(F)cc2)Sc2ccccc2N1
+,,,,,,,,,,,,,,0.0,,,CID841677,CCn1ccc(C(=O)NC2=NCCS2)n1
+,,,,,0.0,,,,,,,,,,,,CID4318318,CNc1c([N+](=O)[O-])cnn1-c1ccc(C)cc1
+,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID2866648,COC(=O)c1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1
+,,,,,,0.0,,,,,,,0.0,,,,CID3242608,CCOC(=O)C(NC(=O)C1CCCN1C(=O)OCc1ccccc1)C(=O)OCC
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID700285,CCOC(=O)c1c(C)[nH]c2cc(Br)c(O)cc12
+,,,,,,,,,,,,,0.0,,,,CID1803359,C=CCSC1=NC(=O)/C(=C/c2cccs2)S1
+,,,,,,,0.0,,,,,,,,0.0,,CID761901,c1ccc2c(c1)nc1n2CCN1CCNC1CCCCC1
+,,,,,0.0,,,,,,,,,0.0,,,CID2969084,Cc1cc2c3c(c1C)C1(C(=O)N3C(C)(C)CC2C)C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+,,,,,0.0,0.0,,,,,,,,,,,CID2919076,CC(=O)N1CCN(C(=S)c2ccc(N(C)C)cc2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID1262884,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1c(C(=O)C2CC2)oc2ccccc12
+,,0.0,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,CID2353476,N#Cc1ccccc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID975565,CCOC(=O)CSc1cccc2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID4616015,Cc1ccc(NC(=S)N(Cc2ccco2)C(C)c2cccs2)c(Cl)c1
+,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,CID666073,CN1CCc2c(sc3c2c(NCc2ccco2)nc2nnnn23)C1
+,,,,,,,,,,0.0,,,,0.0,,,CID2227890,CCCCc1nnc(NC(=O)CCSc2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID692165,Cc1cc(OCC(=O)Nc2ccc3c(c2)OCO3)ccc1Cl
+,,,,0.0,,,,,,,,,,,0.0,,CID4096593,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)Nc2ccccc2)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID759761,COc1ccccc1CC(=O)Nc1ccccc1C(=O)O
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID663057,CCCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID4841521,CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl
+,,,0.0,,,,,,,,,,,,,,CID1257284,Cn1c(=O)c2c(ncn2Cc2cc(-c3ccccc3)no2)n(C)c1=O
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID665105,CCOc1ccc(N2CC(=O)N=C2Nc2nc(C)cc(C)n2)cc1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID596005,O=S(=O)(c1cccc2nsnc12)N1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1234251,CCOc1ccc(-n2nc3c(=O)[nH]nc(C)c3c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID4860412,COc1ccc(C2=NOC3(CC(=O)N(c4ccc5ccccc5c4)C3=O)C2)c(OC)c1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID658881,Cc1ccc2[nH]c3c(=O)n(CCCN4CCN(C)CC4)cnc3c2c1
+,,,,,,,,,,,,,0.0,,,,CID3516,COc1ccccc1OCC(O)CO
+,,,,0.0,,0.0,,0.0,,,,,,0.0,,,CID1266194,CSc1nsc(SCC(=O)N2CCN(c3ccccc3)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID15945133,COc1cc(/C=C/C(=O)C2C(=O)C=C(C)OC2=O)cc(OC)c1O
+,,,,,0.0,,,,,,,,,,,,CID123302,COC(=O)C1CC(=O)OC1c1ccccc1
+,,,,0.0,0.0,,,,,,,,,,,,CID3237132,CC(C)Cn1cc(C(=O)N2CCC3(CC2)OCCO3)c2c3ccccc3n(C)c2c1=O
+,,,,,0.0,,,,,,,,,,,,CID1596882,Cc1nc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)n[nH]1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID644895,Cc1cccc(OCc2nnc(SCC(=O)N3CCc4ccccc43)n2C)c1
+,,0.0,,0.0,,,,,,,0.0,,,,,,CID753627,COc1cccc(CNc2cccc3cccnc23)c1O
+,0.0,,0.0,,,,,,,,,,,,,,CID616556,O=c1[nH]c2ccccc2c2nc3ccccn3c12
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,,CID665184,O=C(CSc1nc2ccccc2s1)Nc1ncccn1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID1312797,NC(=O)Nn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3235765,Cn1c(=O)c2c(SCc3cccc(C(F)(F)F)c3)nc(-c3ccco3)nc2n(C)c1=O
+,0.0,,0.0,0.0,,1.0,,,,,,,,,,,CID645818,COc1cccc2c(=O)c(C(=O)NCc3cccs3)c[nH]c12
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+,,,,,,,,,,,,,,0.0,,,CID725146,NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccccc1
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+,0.0,,,,,,,,,,,,0.0,,0.0,,CID970101,Cn1c(=O)c2ncn(CC(=O)NCCC3=CCCCC3)c2n(C)c1=O
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+,0.0,,,,,,,,,,0.0,,,,0.0,,CID777683,Cn1cnnc1SCc1ccc(F)c2ccccc12
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+0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID663229,COc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID649939,Cn1c(=O)c2c(nc(N3CCCC3)n2CC(O)CO)n(C)c1=O
+,,,,,,,,0.0,,,,,,,,,CID3239270,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)C3(C(=O)OC)CC3)c21
+,,,,,,,,0.0,,,,,,,,,CID794339,CN(C)c1ccc(NC2=C([N+](=O)[O-])CS(=O)(=O)C2)cc1
+0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,0.0,CID3237539,O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCCCC2)C1
+,,,,,,,,,,,0.0,0.0,,,,,CID736812,COC(=O)c1ccc2ncccc2c1
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID644525,CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1ccccc1
+,,,,,,,,0.0,,,,,,,,0.0,CID812348,Cc1nc(C)c2c(c1C(F)(F)F)-c1ccccc1C2(F)F
+,,,,,,,,,,0.0,,,,,,,CID3241963,c1ccc(N2CCN(c3nnc(Cc4cccnc4)c4ccccc34)CC2)nc1
+,,,,,,,,,,,,,0.0,,,,CID1566157,CN(C)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID5307991,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)N1CCCCC1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID2874292,COc1ccc(C(=O)NCCSc2ccccn2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID1247534,CC(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1
+,,,,,,,,0.0,,,,0.0,,,,,CID3237999,CCS(=O)(=O)NCc1csc(C)n1
+,,,,,,,,,,,0.0,,,,,,CID649586,CC(C)OC(=O)c1cc(=O)[nH]c2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID1015601,CN1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)CC1
+,,,,,0.0,,,,,,,,,,,,CID878093,CC(C)COc1ccc(C(=O)Nc2ccccc2)cc1
+0.0,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,CID653840,Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc(-c2ccccc2)n1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0,CID648418,COCCSc1nnc(NC(=O)C2CCCCC2)s1
+,,,0.0,,,,,,,,0.0,,,,,,CID11373,Nc1ccc2ncccc2c1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,CID212086,O=c1nc(N2CCOCC2)[nH]c2c1CCCC2
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID5309157,CCOC(=O)c1[nH]c(C)c(C(=O)NCc2cccnc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID5554402,O=C1NC(=O)N(c2cccc3ccccc23)C(=O)/C1=C/NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID2950307,CCOc1cc(CNn2c(C)nnc2SCC(=O)NC(C)(C)C)ccc1OCC(=O)NC(C)(C)C
+,,,0.0,,0.0,,,,,,,,,,,,CID2857612,N=c1c2c(n(Cc3ccc(F)cc3)c3c1CCC3)CCC2
+,,,,,,,,,,,,,0.0,0.0,,,CID921800,CN(C)c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1
+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID2553973,O=C(CCNS(=O)(=O)c1ccccc1F)Nc1nnc(C2CC2)s1
+,,,,,,,,,,,,,0.0,,,,CID2123998,O=C(COc1ccc(-c2nnco2)cc1)NCc1ccccc1Cl
+0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,0.0,CID894549,CSc1nsc(NC(=O)Cc2ccccc2)n1
+,,,0.0,,,,,,0.0,,,,,,,,CID664035,O=C(COc1ccccc1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1
+,,,,,0.0,,,,,,,,,,,,CID9551526,CCOc1ccccc1NC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1
+,,,,,0.0,,,,,,,,,,,,CID2943548,CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC(=O)Nc1ccccc1
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID3242964,CC1(C)CC(=O)c2cc(OCC(=O)NCC3CCCO3)ccc2O1
+,,,,0.0,,,,,,,,,,,,,CID3739028,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1
+,0.0,,,0.0,0.0,,,,,,0.0,,,,,,CID774385,Cc1ccccc1-c1n[nH]c(=S)o1
+,,,,,0.0,,,,,,,,,,,,CID3243635,CCC(CC)C(=O)Nc1c2cnn(-c3ccccc3)c2nc(=O)n1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5308868,Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCN(C)C1CCCCC1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID5307962,CC1CCCCN1CCn1cnc2c([nH]c3ccccc32)c1=O
+,,,,,,,,,,,,,,0.0,,,CID9550161,Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID806167,Cc1ccc(-c2nc3ccccc3n2C)o1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID3238775,COc1cccc(CNC(=O)C2CCCN(c3nn4c(=O)cc(C)nc4s3)C2)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID2127986,CC1(C)NC(=O)N(CC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C1=O
+,,,,0.0,,,,,,,,,,,,,CID102544,NC(Cc1ccc(Oc2ccc(O)cc2)cc1)C(=O)O
+0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID2833543,Cc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1
+,,,,,,,,,,,0.0,,,,,,CID2925625,CCOC(=O)C(C(=O)OCC)C(Nc1cccc(Br)c1)c1ccccc1
+0.0,,,,,,0.0,,0.0,,,,0.0,,0.0,,0.0,CID1856556,N#CCCN(Cc1cccnc1)C(=O)Nc1cccc(Cl)c1
+,,,,,,,,,,,0.0,,,,,,CID6033337,COC1=CC(Br)=C/C(=C\NNC(=O)C(C)n2cc([N+](=O)[O-])c(OC)n2)C1=O
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID1262336,Cc1ccc(O)c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
+,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,,CID885036,Cc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1
+,,,,,,,,,0.0,,,,,,,,CID1101215,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(N)=O
+,,,,,,,,,,,0.0,,,,,,CID3487710,Cc1c(C(=O)NC2CCCc3ccccc32)oc2ccc(S(=O)(=O)N3CCCC3)cc12
+,,,,,0.0,,,,,,,,,,,,CID2839060,CCCC1=C(C(=O)OCC)C(c2cccs2)C(C#N)=C(N)O1
+,,,,,,,,,,0.0,,,,,0.0,0.0,CID1835969,Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3ccccn3c2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID211451,CN1C(=O)CCC1(O)c1ccccc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID2497112,COc1cc2c(cc1OC)CN(CC(=O)Nc1ccc3c(c1)OCO3)CC2
+,,,0.0,,0.0,,,,,0.0,,,,,,0.0,CID2947022,CCC(C)NS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID5390028,COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2cccc(O)c2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2415026,COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)(C)C)cc1Cl
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID644970,COC(=O)c1ccc(S(=O)(=O)NCCSc2nnc3c4ccccc4n(C)c3n2)cc1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID667060,Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccco5)ccc4n3C)CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3156486,CCCc1[nH][nH]c(=O)c1C(c1ccc(Cl)cc1)C(C#N)C#N
+,,,0.0,,,,0.0,,,,,0.0,0.0,,,,CID654627,N#Cc1c(F)cccc1N1CCOCC1
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID3148371,O=C(c1cccs1)C1CN2CCC1CC2
+0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0,CID2411856,CCCC(=O)Nc1ccc(Cl)c(NC(=O)CC)c1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID5308761,COc1ccc(-c2nc(CS(=O)CC(=O)N3CCCC3)c(C)o2)cc1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID1560352,Cc1ccc(N2C(=O)C(Cl)=C(NCCO)C2=O)c(C)c1
+,,0.0,,,,,,,,,,,,,0.0,,CID5308578,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3c(C)cc(C)cc3C)ccc21
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID3767,NNC(=O)c1ccncc1
+,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,0.0,CID1540788,COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc2ccccc2s1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID2997788,CCCCn1c(SCC(=O)c2ccc(OC)cc2OC)nc2cc(S(N)(=O)=O)ccc21
+,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,CID982324,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2c(F)cccc2F)cc1
+,,,,0.0,,,0.0,,,,,,,0.0,,,CID3238174,COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC3(CC2)OCCO3)cc1
+,,,,,,,,,,,0.0,,,,,,CID1477393,O=c1nc2ccccc2c(NS(=O)(=O)c2ccc(Cl)cc2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3621152,O=C(CSc1ncn[nH]1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2998311,CCOc1ccc(NC(=O)CN(C)CC(=O)NC2CCCc3ccccc32)cc1OCC
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0,CID3237829,Cc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID5346279,CCCC(=O)NC1=C/C(=C2/Nc3cc(C)ccc3O2)C(=O)C=C1
+0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID664261,CC(C)C(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID3815185,Cc1ccccc1NC(=O)C1CC(Cl)=CCC1C(=O)O
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID665588,Cc1c(-c2ccccc2)oc2nc3c(c(=O)n(C)c(=O)n3C)n12
+,,0.0,,,,0.0,,,,,,,,,,,CID2215632,O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1-c1ccccc1Cl)c1ccco1
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,0.0,0.0,CID1245760,Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C#N)CCC2
+,,0.0,,,0.0,,,,,,,,,,,,CID630034,Oc1c(C(Nc2ccccn2)c2ccccn2)ccc2cccnc12
+,,,,,,,,,,0.0,,,,,,,CID799607,CC(=O)Nc1nc2ccccc2n1Cc1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,0.0,CID1222707,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccoc3C)cc2)c1C
+,,,,,,,,0.0,,0.0,,,,,,,CID947668,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)NC1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID9550583,CCN(CC)CCCNC(=O)C1CCCN(c2nnc(N3CCCC3=O)s2)C1
+,,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID975546,O=C(CCSc1nc2ccccc2o1)N1CCOCC1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1124704,Cc1cccc(C(=O)Oc2csc(=S)n2C(=O)c2cccc(C)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID819824,Cc1cc(C=O)c(C)n1-c1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2283364,COc1cc(C)ccc1OCCCOc1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID1912789,COc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccco3)S2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID662840,Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID3236417,Cc1cc(C)c2nc(N3CCC(C(=O)N4CCCC4)CC3)sc2c1
+0.0,,,0.0,,,,,,,,,,,0.0,,,CID649575,Cc1nnc(SCC(=O)N(C(C)C)C(C)C)nc1C
+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID720388,COc1ccc(CC(=O)N2CCOCC2)cc1OC
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID5309134,CCOc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2c(C)noc2C)cc1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,0.0,,CID778399,COc1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2208345,COCCCNC(=S)NNC(=O)C(O)(c1ccccc1)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1164115,CCOC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244392,COC(=O)c1cnn(C(=O)c2cc(OC)ccc2Br)c1N
+,0.0,,,,,,,,,,0.0,,,,,,CID662032,CCO/C(C)=N/n1c2nc3ccccc3nc2c2c(=O)n(C3CCCC3)c(C)nc21
+0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,CID657815,COc1cccc(-n2c(C)nc3ccccc3c2=O)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID124293,CC(Nc1ncnc2nc[nH]c12)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2211623,CS(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1
+,0.0,0.0,,,,,,,,,,,,,,,CID660043,N#CC(C(=O)NCc1ccco1)c1nc2ccccc2nc1N1CCOCC1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID3240080,CCOC(=O)c1cccc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1
+,,,,,,,,,,0.0,,,,,,,CID2892249,CNC(=O)CC1C(=O)N(C)C(=S)N1NC(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID3231226,Cc1ccccc1NC(=O)c1snc2c(=O)nc[nH]c12
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID2972497,CSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccco1
+,,,0.0,,,,0.0,,,,,,,0.0,0.0,,CID648934,CCOc1ccccc1NC(=O)CSc1nnc2c(CC)c(C)nc(N)n12
+,,,,,0.0,,,,,,,,,,,,CID4554479,Cc1ccc(SCc2cc(=O)n(-c3nc4ccccc4s3)[nH]2)cc1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID98614,O=c1[nH]cnc2sc3c(c12)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID6401387,CCN(CC)c1ncnnc1-c1ccccc1
+,,0.0,0.0,,,,,,,,,0.0,0.0,,,,CID649957,Cc1ccc(-c2nnn(CC(=O)N(CCO)C(C(=O)NC(C)(C)C)c3ccncc3)n2)cc1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID2951438,COc1cccc(N2CCN(C3CC(=O)N(c4ccc(F)c(Cl)c4)C3=O)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID5053118,CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1Cc1cccs1
+,,,,0.0,,,,,,,,,,,,,CID5063649,COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2346594,COc1ccc(CCNC(=O)COC(=O)c2ccc[nH]c2=O)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID3245734,CCOC(=O)c1nnn(CC(=O)Nc2cc(Cl)ccc2C)c1C(=O)OCC
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID3243474,CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cccc(OC)c2)C1=O
+,,,,,,,0.0,,,,,,0.0,,0.0,,CID5308694,CCOc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID2866210,COc1cc(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID3363788,C=CCNc1ncnc2c1cnn2-c1ccc(C)cc1C
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2225555,O=C(COc1ccccc1Br)NCc1ccccn1
+,,,,,,,,,0.0,,,,,,0.0,,CID648500,Cc1ccc(Nc2nc(C(=O)N3CCC(C(=O)N4CCN(C)CC4)CC3)cs2)cc1
+0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID4621093,Cc1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID648172,O=C(O)C1C2C=CC(C2)C1C(=O)NC1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID2973325,COc1ccc(NC(=O)C(C)N2c3cccc4cccc(c34)S2(=O)=O)cc1OC
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID3237234,Cc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3624171,Cc1ccc(SCC(=O)NN=C2CCN(C)CC2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID236781,O=C(O)COc1ccc(S(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID978259,CCN1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID660637,COc1ccc(NC(=O)Nc2cccc(C(=O)N3CCOCC3)c2)cc1OC
+0.0,,0.0,,,0.0,,,,,,,0.0,,,,0.0,CID2893985,O=C(Cc1ccccc1)N1CCCC1c1ccccc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID31130,CCN(CC)c1nc(=O)nc(N(CC)CC)[nH]1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,CID898598,Cc1occc1C(=O)n1cnc2ccccc21
+,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,CID5007390,CC(CN1CCNCC1)(NS(=O)(=O)c1ccccc1)c1ccccc1
+,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID662461,CCOc1cccc(-c2nnc(SCC(=O)Nc3cccc(OC)c3)n2N)c1
+,,,,,,,,,,,,,,0.0,,,CID2221813,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID703660,Cc1ccc(NC(=O)CCC(=O)n2nc(C)cc2C)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID6074830,CCOc1ccccc1N1C(=S)/C(=C(/[O-])Nc2ccc(C)cc2)[n+]2ccccc21
+0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,0.0,,CID5308609,CCc1ccccc1NC(=O)c1cc(-c2cccc(O)c2)on1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2886128,N#CC1(c2ccccc2)CCCN1C(=O)c1ccccc1Br
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID740883,O=C(Cc1ccccc1)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1280585,COc1ccc(OC)c(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID5309035,CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)CC1
+,,,,,,,,,,,0.0,,,,,,CID4153503,CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)sc2c1CCC(C)C2
+,,,,,,0.0,0.0,,,,,,,,,,CID662166,c1ccc(-n2c(Cc3cccnc3)nc3cnccc32)cc1
+0.0,,,,,,0.0,,,,,0.0,,0.0,,,,CID660626,C=CCOC(=O)C1=C(C)NC(SC)=C(C#N)C1c1ccc(OCC)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348307,CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)C2c1ccc(OC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1245647,NC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2890820,CC(NC(=O)C(=O)NCC1CCNCC1)c1ccccc1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID3240533,O=C(CSc1nc2ccccc2c(=O)n1CC1CCCO1)NCC1CCCO1
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID659737,O=C(OC1CN2CCC1CC2)C12CC3CC(CC(C3)C1)C2
+,,0.0,,,0.0,,,,,,0.0,,,,,,CID3239967,CCCCSC1=C(C#N)C(c2ccccc2C)C(C(=O)OCC)C(=O)N1
+,,,,,,,,,0.0,0.0,,,,,,,CID1391478,CC1(C)Cc2c(c(N3CCCC3)[nH]c(=S)c2C#N)CO1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID3243500,CC1CCN(C(=O)c2ccc(COc3ccccc3Cl)o2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4117118,Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,0.0,,CID2999540,CCc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID891344,CCOc1ccc(C(=O)NCCN(C)C)cc1
+,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID648317,Cc1ccccc1N(CC(=O)NCc1ccncc1)S(C)(=O)=O
+,,,,,0.0,0.0,,,,,,,,,,,CID5389446,O=C1C(=O)N(Cc2cccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1457133,Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2cc3cc4cccc(C)c4nc3s2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID2836840,CCOC(=O)C(Cc1ccccc1)C(=O)Nc1ccccc1C
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID583347,CCCS(=O)(=O)c1cn2cccc(N)c2c1S(=O)(=O)CCC
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID2204667,CCCCC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1028504,O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,,,,,0.0,,0.0,,,,,,,0.0,CID2869016,CC/N=C(/Nc1ccc2c(c1)OCO2)SC1CC(=O)N(c2ccccc2F)C1=O
+,,,,,,,,,,,,0.0,,,,,CID657977,CCCCNC(=O)OC1CCS(=O)(=O)C1
+,,,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,CID653442,Cc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1
+0.0,,,,0.0,0.0,,,,,,,,,,0.0,0.0,CID646387,CC1CCN(c2ccc(C(=O)NCc3cccs3)cn2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID1165978,COc1cc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc(OC)c1
+,,,,0.0,,,,,,,,,,,,,CID2973841,COc1ccc(CCNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1OC
+0.0,0.0,,,,,,,,0.0,,0.0,,,,,,CID649499,Cc1cccc2cc(CN(CCc3ccccc3)C(=O)N3CCOCC3)c3nnnn3c12
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID64049,Cc1nc2ccccc2c(=O)n1-c1ccccn1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,CID611711,CCCCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,CID2366561,Nc1cccc2c1C(=O)N(C(=O)c1ccc(S(=O)(=O)N3CCCCCC3)cc1)C2=O
+,,,,0.0,,,,,,,,0.0,,,,,CID2921003,CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)sc(C)c1C
+,,,,,0.0,,,,,0.0,,,,,,,CID874575,COc1ccc(C(=O)NCCC2=CCCCC2)cc1OC
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID5307903,CCOc1ccc(NC(=O)C2C3C=CC4(CN(C(C(=O)OC)C(C)C)C(=O)C24)O3)cc1
+,,,,,,,,,0.0,,,,,,,,CID1540603,CCOC(=O)NC1(NC(C)C)Oc2ccccc2O1
+,,,,,,,,,,,,,,0.0,,,CID2946893,CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
+,,,,,,,0.0,,,,,,,,,,CID866511,c1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1
+,,,,,,,,,,0.0,,,,,,,CID940424,CCOc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
+0.0,,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID3116045,COC(=O)C1C(=O)/C(=C/NC2CCCCC2)C(=O)CC1(C)C
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3241108,COc1ccccc1NC(=O)CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID986578,Cc1cc2oc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c(C)c2cc1Cl
+,,,,,,,,,0.0,,,,,,,,CID666174,CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1
+,,0.0,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,CID1258568,COc1ccccc1OCC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0,CID1548698,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6304176,CC1=NN(c2ccccc2)C(=O)/C1=C\NN(C)c1ccccc1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,,CID759944,N#Cc1c(N)c(C(=O)c2ccccc2)n2c1CCCC2
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID1071283,O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID9550569,Cc1ccc(-n2c(=O)c(C#N)cc3c(=O)n4cccc(C)c4nc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID3245904,COc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3226204,O=C(CC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
+,,,,,,,,0.0,,,,,,,,,CID2951115,COC(=O)C(CC(=O)c1ccc(Br)cc1)n1ccnc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2501656,CC(C)Nc1nnc(SCC(=O)c2c(N)n(Cc3ccccc3)c(=O)n(C)c2=O)s1
+,,,,,,,,,,,,,,0.0,,,CID709284,COCc1cc(C)nc(Oc2ccccc2)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID2450372,Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5308310,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC
+,,,,,,,,,,,1.0,,,,,,CID2883648,O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCCC1
+,,,,,0.0,,,,,,,,,,,,CID659068,CC1CN=C(Nc2ccc(N(C)C)cc2)S1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID664406,COCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,,CID660640,CCCC12CN3CN(C1)CC(CCC)(C3)C2O
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID1245639,O=C(c1csc2ccccc12)N1CCCCCC1
+0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,,CID646256,CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1cccc(C)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID1263723,COc1ccc(C)cc1S(=O)(=O)N(C)CC(N)=O
+,,,,,0.0,,,,,,,,,,,,CID2883298,CC(C)(C)CC(C)(C)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21
+,,,,,,,,,,,,,,0.0,,,CID3759703,O=C(O)C1=C(OCc2ccccc2)C(=O)NCC1
+,,,,0.0,,,,,,,,,,,,,CID768903,CNS(=O)(=O)c1cc(OC)ccc1OC
+,,,,,,,,,,,,,,0.0,,,CID3505573,O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
+,,,,,,,,,,,0.0,,,,,,CID1471308,CC(C)NC(=O)c1ccccc1S(=O)c1ccccc1C#N
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID715208,Cc1nc(S(=O)(=O)N2CCOCC2)c(C#N)c(C)c1Cl
+0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,,,CID2998320,Cn1c(=O)c2c(n(Cc3ccccc3)c1=O)NC(=O)C2CC(=O)N1CCc2ccccc2C1
+0.0,,,,,,0.0,,,,,,,,,,,CID664804,CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1
+,,,,,,,,0.0,,,,,,,0.0,,CID1212755,Cc1cc(=O)oc2cc(NC(=O)CCCC(=O)O)ccc12
+,,,0.0,,,,0.0,,,,,,,,,,CID3236221,Cc1cc2ccccc2c(=O)n1CC(=O)N(C)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID4879792,COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1Br
+0.0,,0.0,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,CID2233093,O=C(c1cccc(-c2nnc(-c3ccccc3)o2)c1)N1CCCCC1
+,0.0,,,,,,,0.0,0.0,,0.0,,,,,0.0,CID1242454,COc1ccc(-c2nc(C#N)c(NCc3ccc(C)cc3)o2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2884425,COC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(c2ccc(Cl)cc2)C1
+,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID645926,CC(=O)Nc1ccc(OCC(O)CN2CCN(c3cc(Cl)ccc3C)CC2)cc1
+,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,CID647845,Cc1cccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2892566,NC1=NS(=O)(=O)NC1c1ccc(Cl)cc1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID646796,Cc1cc(C)nc(N2CCCC(C(=O)Nc3nnc(C)s3)C2)n1
+,,,,,,,,,,,,,,,0.0,,CID5309002,CC1=C(C(=O)NC(C)C)C2(CCC(C)CC2)OC1=O
+,,,,,,0.0,,,,,,,,,,0.0,CID5307425,O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID991871,Cc1c(Cl)ccc(S(=O)(=O)N2CCN=C2c2ccccc2)c1Cl
+,,,,,,,,,,,,0.0,,,,,CID1946188,COc1ccccc1-c1noc(-c2ccco2)n1
+0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,CID661348,Cc1cc(C)n(CC2CC(=O)N(c3ccc(C)c(Cl)c3)C2=O)n1
+,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,CID3240939,COc1ccc2c(c1)CCc1c(C(=O)Nc3ccn(Cc4ccc(C)cc4)n3)noc1-2
+,,,,,,,,,,,,,,0.0,,,CID2385910,Cc1cc(C)c(C(=O)CSc2nc(C)cc(C)c2C(N)=O)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID2884422,Cc1cccc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc23)c1C
+,,,,,,,,,0.0,,,,,,,,CID1394610,O=C(CCC(=O)NC1CCCCCC1)Nc1nnc(C(F)(F)F)s1
+,,0.0,,0.0,,,,0.0,,,,,0.0,,,,CID646420,Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1
+,0.0,,,,,,0.0,,,,,,,,,,CID699787,c1cc(-c2nnc(-c3ccncc3)o2)ccn1
+,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,CID824047,CC(C)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID2998361,CCC(c1nnc(SCC(=O)N2CC3(C)CC2CC(C)(C)C3)o1)N(C)C
+,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,0.0,CID1005077,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCc2ccccc21
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2082848,CC(=O)c1ccc(OCCCC(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1480055,COc1ccc(C(=O)c2cc3cccc(OC)c3o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID159668,Cn1cc2cccc([N+](=O)[O-])c2n1
+,,,,,,,,,0.0,,,,,,,,CID3844891,CCC(C)C(NC(=O)OCc1ccccc1)C(=O)OCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID757094,Cc1c(Cl)c([N+](=O)[O-])nn1CCCC(=O)NC1CCCCC1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID663290,Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1
+0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,CID3245365,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCc2ccccn2)C1
+,,,,,,,,,,,0.0,,,,,,CID2948436,Cc1ccc(SC(C)C(=O)Nc2cccnc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2955124,COc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1OC
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID655786,CCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccccc3)C(=O)C21
+,,,0.0,,,,,,,,,,,,,0.0,CID5151215,O=C(NCc1ccccn1)C1CCC(=O)N1C1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID6901613,CC(C)CN1C(=O)/C(=N\NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c2ccccc21
+,,,,,,,,,0.0,,0.0,,,,,,CID1114757,Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(SC2=NCCS2)n1
+,,,,,,,,,,,,,0.0,,,,CID4191060,COc1ccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Br)n2)(C4)C3)c(OC)c1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID818375,Cc1ccc(C)c(-c2nc3ccc(N)cc3[nH]2)c1
+,,,,,0.0,,,,,,,,,,,,CID6407344,Cc1ccc(-c2nnc(N3CCN(C(=O)COc4ccccc4)CC3)c3ccccc23)cc1
+0.0,,,0.0,,,,,,,0.0,,,0.0,,,,CID3239246,Cc1ccc(-n2ncc3c(=O)n(CC(=O)N4CCCCCC4)cnc32)cc1
+,0.0,,,,,,,,,,,,,,,,CID665813,Cc1cc(N2CCN(C3CCCC3)CC2)n2nc(C)c(-c3ccccc3)c2n1
+,,,,,,,,,,,,,,0.0,,,CID878032,COc1ccc(C(=O)NCc2ccccc2)cc1Br
+,,,,,0.0,,,,,,,,,0.0,,,CID885527,Cc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3210888,COc1ccc(CNC(=O)C(c2cccs2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1168043,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(C)=O)o2)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID658659,N#Cc1c(/N=C/c2ccco2)sc2c1CCC2
+,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,CID693194,Oc1cccc(Nc2ncnc3ccccc23)c1
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,CID972317,Cc1cccc(Nc2nc(-c3ccccn3)cs2)n1
+,,,,0.0,,,,,,,,,,,,,CID1180515,CCS(=O)(=O)c1ccc(O)c(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID3114697,COC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID3210928,CCc1ccc(C(C(=O)NCc2ccc(OC)cc2)N(CCOC)C(=O)Cc2cccs2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307200,Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCN(C)C)C1c1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID1148038,COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2791913,CC(C)OC(=O)COc1ccc(-c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5310923,CCOC(=O)/C(C#N)=C1/C=Cc2ccccc2N1CC
+,,,,,,,,,,0.0,0.0,,,,,,CID1453983,CC(C)(C)C(=O)N(Cc1nc(=O)c2ccccc2[nH]1)Cc1cccs1
+,,,,,,,,,0.0,,,,,,,,CID458876,CC(=O)Nc1ccc(NS(C)(=O)=O)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID2853442,CN1CCN(S(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,,,,,,0.0,,,,0.0,,,,,,CID5771450,COc1cc2c(cc1OC)/C(=C(/C#N)N=O)NC(C)(C)C2
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+,0.0,,,,,,,,,,,0.0,0.0,,0.0,,CID2140141,COc1ccc(-c2nc3scc(-c4ccccc4)n3n2)cc1
+,0.0,,,,,,,,,,,,,,,,CID660054,COC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID2104499,O=C(Nc1nnc(-c2cccs2)o1)c1cccc(Oc2ccccc2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2907423,O=C(CCCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID892280,COc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID2053100,O=C(CS(=O)(=O)c1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,0.0,,,,,,CID3183326,COc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCC(C)CC2)cc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2998461,CN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O
+,,,,,,,,,,,,,,0.0,,,CID2229371,CS(=O)(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(Cl)cc1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID289502,O=C1c2cccnc2C(=O)N1Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID703093,Cc1c(CCC(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N
+,0.0,0.0,,,,,,,,,,,,,,,CID661973,Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CCC(C)C
+,,,,,,,,,,,,,0.0,,,,CID688670,COc1ccc(-c2cc(=O)c3cc(OC)ccc3o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID498250,O=C(N/N=C/c1ccccn1)c1ccccc1O
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID651253,CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID828750,CSc1nc(-c2ccco2)nn1S(C)(=O)=O
+0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,CID666191,COc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5349418,COc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID5348811,COc1ccc(C2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4cccs4)c(=O)n32)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2297789,CCCCN(CCCC)c1nc2ccccc2nc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
+,0.0,,,,,,,,,,,,,,,,CID5742485,c1coc(C2N=c3ccccc3=C3Nc4ccccc4N32)c1
+0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,CID666523,COc1ccc(Cn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID2571528,Cc1cc(NC(=O)COC(=O)CSCc2ccc(Cl)c(Cl)c2)no1
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,CID2534042,Cc1nnc(SCc2cnc(-c3ccc(C(C)C)cc3)s2)n1C
+0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID875376,Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)cn2)c1
+,,,,,0.0,,,,,,,,,,,,CID2261725,O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID790225,O=S1(=O)N=C(Oc2cccc3ccccc23)c2ccccc21
+,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,CID664228,O=C(CCc1ccccc1)Nc1ncc2c(n1)CCCC2=O
+,,,0.0,,,,,,0.0,,,,,,,,CID660448,CCOc1ccc(Cc2nc(N)nc(N)n2)cc1
+,,,,,,,0.0,,,,,,,,,,CID662034,COc1cc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2cc(C)on2)ccc1O
+0.0,,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,0.0,CID2215139,COc1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
+,0.0,0.0,,,0.0,,,,,,,0.0,,,,,CID698967,CCOC(=O)c1cnc2c(C#N)c(C)nn2c1C
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID2906112,COC(=O)C1=CN(CC2CCCO2)C=C(C(=O)OC)C1c1ccsc1
+0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,CID1365266,COc1cccc(/C=N/n2c(SC)nnc2-c2ccccc2)c1OC
+,,,,,0.0,,,,,,,,,,,,CID6415168,CC1CN(c2nc(-c3ccccc3)nnc2-c2ccccc2)CC(C)O1
+,,,,,,,,,,,,,0.0,,,,CID2548793,O=C(CCCOc1ccccc1)OCn1nnc2ccccc2c1=O
+,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,,CID976985,O=C(NCc1cccnc1)c1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,,,,,,,0.0,,,CID929853,Cc1ccc(N2CN(Cc3cccnc3)CNC2=S)c(C)c1
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID661698,COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccc(C(=O)O)cc2)c1
+,,,,,,,,,,,,0.0,,,,,CID5308746,CC1CCN(c2c(NCc3ccc(C(=O)NCc4cccnc4)cc3)c(=O)c2=O)CC1
+,,,0.0,,,,,,,,,,,,,0.0,CID3108852,O=C1CCCCCC1C1(O)C(=O)Nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID3142078,O=C(O)CCCC(=O)Nc1nncs1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,0.0,CID3244093,O=C(CSc1nccn1-c1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,,0.0,0.0,,,,0.0,,0.0,0.0,,CID723219,O=C(CC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2
+,,,,,0.0,,,0.0,,,,,,,,,CID4296542,CCN(CCCNC(=O)C1CCC(=O)N1C(C)C)c1cccc(C)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID694419,Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCOCC1
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID594596,COc1cc(C(=O)O)nc2ccccc12
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2087463,O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1354444,COc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID561509,Cc1ccc(NC(=O)N(Cc2ccccc2)C(C)C2CC2)cc1
+0.0,,,,,0.0,,0.0,0.0,,0.0,,1.0,,,,0.0,CID3243790,COc1ccccc1-c1cc(C(=O)NCc2ccccc2)no1
+,,,,,,,,,,,,,0.0,,,,CID1039741,O=C(c1ccccc1C(=O)N(c1ccccc1)c1ccccc1)N1CCCCC1
+,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID652964,COc1cccc(OCc2nnc(SCC(=O)OCc3ccccc3)o2)c1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3242006,CC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,0.0,,,,CID1473358,CC1=C(CC(=O)c2ccccc2)C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2481261,O=C(CSc1cccc2cccc(Cl)c12)NCc1cccs1
+0.0,,,,0.0,,,,,,,,,,,,,CID4075942,CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccc(Cl)cc4)[nH]cc-3c(=O)n2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3238696,CCC1CCCCN1CCCNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,0.0,,,,,,,,CID1160008,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)c(C)c3)CC2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID954451,C=CCn1c(CCC(=O)O)ccc1-c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID3229125,CCC(C)(C)n1nnnc1C(c1ccncc1)N1CCC(C)CC1
+,,,,,,,,,,,,,,0.0,,,CID12004543,Cc1ccc(C(=O)Nc2ccc(C(=O)NN/C=C3\C=Nc4ccccc43)cc2)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID663298,O=c1[nH]c2ccccc2n1CCCSc1cnc2ccccc2n1
+,0.0,,,,0.0,,,,,0.0,,0.0,,,0.0,,CID663115,Nn1c(SCc2nc3ccccc3[nH]2)nnc1C1CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID2926746,CCOc1ccc(N2CC(C(=O)NCCCN3CCOCC3)CC2=O)cc1
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID3240498,COc1ccc(NC(=O)CNS(=O)(=O)c2cccs2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID655494,CCOC(=O)CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2123287,c1coc(-c2nnc(NC3=NCCC3)o2)c1
+,,,,0.0,,,,,,,,,,,,,CID3245634,Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)no1
+0.0,,,,,,,,,,,,,,,,,CID664991,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,0.0,0.0,,,,0.0,,,,,,,CID650701,Cc1ccc(N2CC(C(=O)OCC(=O)C(C)(C)C)CC2=O)cc1
+,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,CID3242156,Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)N3CC=C(c4ccccc4)CC3)ccc2n(C)c1=O
+,,,,,,,,,,0.0,,,,,,,CID2083940,CCCc1ccc(-c2cc(NC(=O)CSc3n[nH]c(N)n3)n(-c3ccccc3)n2)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID1223141,COc1cc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2475064,COc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,,CID2530829,Cc1nc(CC(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cs1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2843391,CCSc1nc(=O)c(CC)c(O)n1C(C)CC
+,,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID2999683,COc1ccc(CNCC(O)COCc2cccs2)cc1
+,,,,,,,,,,,,0.0,,0.0,,,CID2396013,COc1cc(C(=O)OCC(=O)N2CCCC2)cc(OC)c1OC
+,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID803493,O=C(Nc1cccc2ccccc12)N1CCN(c2ccc(F)cc2)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID2964701,CCCCC(SCC(=O)Nc1ccccc1)C(=O)O
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID658547,CC1(C)Cc2c(C#N)c(N3CCN(C(=O)c4ccco4)CC3)nc(-c3ccco3)c2CS1
+,,,,,,,,,,,,,,,,0.0,CID3000055,COc1ccc(CCC(C(O)C(F)(F)F)S(=O)c2ccccc2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID645088,O=C(NC1CCCC1)c1nc2n(Cc3cccc(Cl)c3)[nH]nc-2c(=O)n1
+,,,,,,,,,,0.0,0.0,,,,,,CID1306472,O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCc1ccncc1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID3238110,CCc1ccccc1NC(=O)CSc1nc2nnc(C)c-2c(N)n1-c1ccc(OC)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1456434,COc1ccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2942047,CC(C)CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID646253,Nc1ncnc2nc(N3CCN(C(=O)c4ccccc4)CC3)[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID884653,Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccco2)c1
+,,,,,,,,,,,0.0,,,,,,CID1028199,COc1cccc(OCc2cc(/C=N/NC(=O)c3ccn[nH]3)ccc2OC)c1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,0.0,CID34611,CN(C)Cc1c(O)ccc2occ(C(=O)c3ccccc3)c12
+,,,,,,,0.0,0.0,,,,,,,0.0,0.0,CID1093076,COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3362642,CCOC(=O)CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3
+,,,,,,,,,,,,,0.0,0.0,,,CID965334,CNC(=O)c1[nH]cnc1C(=O)Nc1ccccc1C
+,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,CID3236300,COc1cc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID1476820,Cn1nc(-c2ccccc2)c(C(=O)Nc2ccc(Cl)cc2)c1Cl
+,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID2998968,Cc1cc(C(=O)CSc2nc3ccccc3n2CCC#N)c(C)n1Cc1cccs1
+0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,,CID661430,Cc1cc(C)c(C#N)c(OCC(=O)c2ccccc2)n1
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID650617,CCN1CCCC1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID7415285,CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID2766805,CCOC(=O)c1ccc(-n2cncn2)nc1
+,,,,,,,,,,,,,0.0,,,,CID2360500,O=C(COC(=O)c1ccc(Br)o1)NC1CCCCC1
+,,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,CID2237155,Cn1c(=O)n(CCCOc2ccc(Cl)cc2)c2ccccc21
+,,,,,,,,,,,,,,,0.0,0.0,CID2999075,CCC(C)NC(=O)c1cc(OC)c(OC)c(OC)c1
+,,,,,,,,0.0,0.0,,,0.0,,0.0,,,CID649230,O=C(CN1C(=O)COc2ccccc21)N(Cc1ccc2c(c1)OCO2)CC1CCCO1
+,,,,,,,,,,,,,,,0.0,,CID3240623,CC(C)c1ccc(-c2nc(N3CCCC3)nc3n[nH]c(N)c23)cc1
+,,,,,,,,,,,,,,0.0,,,CID3763605,Cc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID5309479,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1ccccn1)c1ccc(C(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID3143193,COc1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3243842,COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccco3)cc2)cc1OC
+,,,,,,,,,0.0,,0.0,,,,,,CID3190577,NC(=O)CSc1nnc(Cc2csc(Nc3ccc(F)cc3)n2)n1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID690586,COC(=O)c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID746923,COC(=O)c1c(NC(C)=O)sc(Cc2ccccc2)c1C
+,,,,,,,,0.0,,,,,,,,,CID4977,CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,,,,,,,0.0,,,,,CID2128923,Cc1cc(NC(=O)COc2cccc3cccnc23)no1
+,,,0.0,,,,,,,,0.0,,,,,,CID655876,O=C(Nc1cccc(C(=O)N2CCOCC2)c1)NC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID5103720,Cc1cc(C)c(Cc2c(C)nc3c(C(=O)NCc4ccco4)cnn3c2C)c(C)c1
+,0.0,,,,,,,,0.0,0.0,,,,,0.0,0.0,CID1254111,COC(=O)c1ccc(Cl)c(NC(=O)CN2CCOCC2)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID3244827,COc1ccccc1Cn1c(=S)[nH]c2cc(C(=O)N3CCN(C)CC3)ccc2c1=O
+0.0,,,,0.0,,0.0,,,0.0,,,,,,,,CID650606,O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CSc1nc2ccccc2o1)NC1CCCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1928638,O=C(N/N=C/C=C/c1ccccc1)c1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID1094037,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1
+0.0,,,0.0,,0.0,,,,,0.0,,,,,,,CID3241493,COc1cccc(C2=NOC(C(=O)Nc3ccc(OC)c(OC)c3)C2)c1
+,,,,,,,,,,,,,0.0,,,,CID1252207,CCNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
+,,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID3162437,COc1cc2c(c(OC)c1)C(c1ccncc1)CC(=O)N2
+0.0,,,,,,,,,,0.0,,,,0.0,,0.0,CID3240929,CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21
+,,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,CID1246755,Cc1scc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1-c1ccccc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID598854,Cc1nnc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n1N
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID3237638,CCC1CCCCN1CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
+,,,,,,,,,,,,,,0.0,,,CID1367790,CCOc1cc(/C=C2/SC(=S)NC2=O)ccc1OC(=O)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2880813,COc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1[N+](=O)[O-]
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2231572,CCOc1ccccc1-c1nc(-c2cccc(Br)c2)no1
+,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID665549,COC(=O)/C=c1\s/c(=C(/C#N)C(=O)NCc2ccco2)n(-c2ccc(C)cc2)c1=O
+,,,0.0,,,0.0,0.0,,,0.0,,,,,,,CID3239304,CC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3237542,Cc1ccc2c(c1)-c1c(cnn1CC(=O)O)CO2
+,,,,,,,,,,,0.0,,0.0,,,,CID844859,O=C(Cc1ccccc1)NCCc1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID1505706,CCN(CC)c1nc(-c2ccccc2)nc2c1sc(=S)n2CC
+0.0,0.0,,,,,,,,,,,,,,,,CID658946,COC(=O)NCC12CC3CC(C1)CC(CNC(=O)OC)(C3)C2
+,,,,,,,,,,,,,0.0,,,,CID16192394,CN(Cc1nc2ccc(F)cc2[nH]1)Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn12
+,,,,,0.0,,,,,,0.0,,,,,,CID847808,CCSc1ccc(NC(=O)c2cccnc2)cc1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID660921,O=C(Nc1ncccn1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID736378,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
+,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,CID708756,CSc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
+,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID661005,CCN(CC)CC(=O)Nc1ccc(-c2nc3cc(NC(=O)CN(CC)CC)ccc3o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3217431,CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(CC)C(=O)C21
+,,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID645051,O=C(O)CCC(=O)Nc1ccccc1N1CCOCC1
+,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID3236106,CCOc1ccc(S(=O)(=O)NCc2csc(C)n2)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID2969255,Cc1cc(=O)oc2cc(OC(C)C(=O)N3CCCc4ccccc43)ccc12
+,,,,,,,0.0,,,,,,,,,0.0,CID5307695,COc1cccc(C2=NOC(C(=O)N3CCN(C(=O)c4ccco4)CC3)C2)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID5308400,CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3242605,O=C1NC(c2ccncc2)Nc2sc3c(c21)CCCC3
+,,,0.0,,,0.0,,,0.0,,,,,0.0,,,CID3241887,CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCCc3ccc(OC)c(OC)c3)ccc21
+,,,,,,,,,0.0,0.0,,,,,,,CID3228993,O=C(CSc1nnnn1-c1cccc2c1CCCC2)NC1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID3236218,CCOC(=O)C1CCN(C(=O)c2oc3ccc(S(=O)(=O)N4CCCCCC4)cc3c2C)CC1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,CID2159040,COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID16190230,CN(Cc1cn(C)nc1-c1cccc(Cl)c1)CC1CCCCO1
+,,,,,,,,,,,0.0,,,,,,CID1632392,CC(=O)NNC(=O)CCC(=O)Nc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2961967,Cc1ccc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)cc1
+0.0,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,CID662548,CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1c1ccco1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID3238004,C=CCn1c(SCc2nc(N)nc(N(C)C)n2)nnc1-c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID895223,O=C(NCc1ccncc1)Nc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID3740241,COc1cnc(-c2ccccn2)nc1Sc1cccc(Cl)c1
+,,0.0,,,,,,,0.0,,,,,,,,CID2946325,O=C(CC(c1ccc(F)cc1)c1ccco1)N1CCOCC1
+,,,,,,,,0.0,,0.0,,,,0.0,0.0,,CID3463,Cc1ccc(C)c(OCCCC(C)(C)C(=O)O)c1
+0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,,CID3241262,COc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID655767,COCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,,CID3244044,COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1Cl
+,,,,,,,,0.0,,,,,0.0,,,,CID704832,CC(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
+,,,,,,,,,0.0,,,,,,,,CID569453,CC1=C(OC(=O)c2ccccc2)C(C)(C)C(c2ccccc2)OC1=O
+,,0.0,,,,,,0.0,,,,,,,,,CID2999833,CC(OC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2478633,O=C(O)c1oc2ccccc2c1CSCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID697577,CC(C)Cc1nnc(NC(=O)Cc2cccs2)s1
+,,,,,,,,,,,,,0.0,,,,CID717589,NC(=O)c1ccccc1NC(=O)CCN1C(=O)c2ccccc2C1=O
+,,,,,,,,0.0,0.0,,0.0,0.0,,,,,CID2239703,CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccc(C)n1
+,,,,,0.0,,,,,,,,,,,,CID3812758,CC1=C(C(=O)OCc2ccc(C)cc2)C(c2cccc(O)c2)NC(=O)N1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,0.0,CID898934,O=C(CCCC(=O)n1cnc2ccccc21)n1cnc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID901923,O=c1ncn(-c2ccccc2F)c2ncccc12
+,,,,,0.0,,,,,,,,,,,,CID1714746,COc1cc(-c2ccc(NC(=O)c3ccc(C)cc3)c(OC)c2)ccc1NC(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID4018255,CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1235337,COc1cnn(-c2cc(Oc3ccc(C)cc3)ncn2)c(=O)c1Cl
+0.0,,,,,0.0,,,,,0.0,,,,,,0.0,CID3242373,Cc1ccc(C)c(N2CCN(C(=O)c3ccc(Cn4c(=O)[nH]c5ccccc5c4=O)cc3)CC2)c1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2196287,COc1ccc(-c2nnc(SCC(=O)Nc3nc4ccccc4s3)n2C)cc1
+,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID647242,Cc1ccnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)n1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID1953555,Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCOCC2)cc1
+,,0.0,,,,,,0.0,0.0,,,,,,,,CID1251518,COc1ccc(CCNC(=O)c2cc(-c3ccccc3)on2)cc1OC
+,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID1247755,COc1ccc(C(=O)N2CCN(C3CCCCC3)CC2)c(OC)c1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID850128,CCOc1cc(S(=O)(=O)NC2CCCCCC2)ccc1F
+,,,,,,,,,0.0,,,,,,,,CID1004317,COc1ccc(-c2ccc(C#N)c(SCC(=O)OCc3ccccc3)n2)cc1OC
+,,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,CID653094,CCOC(=O)CC(=O)CSc1nc2ccc(C)cc2cc1C#N
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID1263070,Cc1ccc(N2C(=O)c3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID827481,O=[N+]([O-])c1ccc2nc3ccccc3n2c1
+,,,,,,,,,0.0,,,,,,,,CID1473758,N#Cc1ncc(C(F)(F)F)cc1Sc1ccc(N)cc1
+,,,,,0.0,,,0.0,0.0,,0.0,,,,,,CID2937233,CC(NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3143160,Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(N)=O
+,,,,,,,,0.0,,,0.0,,,,,,CID2962243,O=C(NCc1ccc2c(c1)OCO2)C1CC(c2cccc(Br)c2)=NO1
+,,,,,,,,,,,,,0.0,,,,CID1560512,O=C(O)CCCCCN1C(=O)/C(=C/c2ccncc2)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID2382466,CCOC(=S)SCC(=O)Nc1nc(-c2ccccc2)cs1
+,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID2056626,C=CCc1c(C)[nH]c(SCc2nc(=O)c3ccccc3[nH]2)nc1=O
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3245437,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3cccc(F)c3)ccc21
+,,,,,,,,,0.0,,,,,,,,CID5308799,O=C(NCc1ccco1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,0.0,,,,,,,,,,,,CID6537677,Cc1occc1C(=O)NN/C=C1\C=Nc2ccccc21
+,,,,0.0,,,,,,,,0.0,,,,,CID2162494,CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)o2)sc(C(C)=O)c1C
+0.0,,,,0.0,,0.0,,,0.0,,,,,,,,CID2999560,COc1cc2c(cc1OC)C1(NCC2)C(=O)Nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2883201,Cc1ccc(N2CC(C(=O)NCC(C)O)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID882648,C/C(=N\N=C\c1ccc(N(C)C)cc1)c1cccc([N+](=O)[O-])c1
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID649690,COc1ccc(-c2nnn(CC(=O)N(C3CCCC3)C(C)C(=O)NC3CCCC3)n2)cc1OC
+,,,0.0,,,,,0.0,,,,,,,,,CID1097826,Cc1cc(C)n2ncc(C(=O)Nc3ccc4c(c3)OCO4)c2n1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID1178160,CCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O
+0.0,,,,,,0.0,,0.0,0.0,,,,,,,0.0,CID2207638,O=c1c(Cl)c(NCCO)ncn1-c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1477174,COc1ccc(/N=C2\CCS(=O)(=O)c3sccc32)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID656148,COc1ccc(Cc2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID892433,Cc1ccccc1-c1nc(C#N)c(NCc2ccco2)o1
+0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,,,CID2163453,COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1OC
+,,0.0,,,0.0,,,,,,,,,,,,CID705407,CN(C)c1nc(Oc2ccc(/C=N/O)cc2)nc(N(C)C)n1
+,,,,,0.0,,,,0.0,,,,,0.0,,0.0,CID651850,CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2854974,COc1cccc(OCCNc2cc(N3CCCCC3)ccc2[N+](=O)[O-])c1
+,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,CID652611,CC(C)C(c1nnnn1Cc1ccccc1)N1CCSCC1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1011017,O=C(/C=C/c1ccccc1)N1CCCN(C(=O)/C=C/c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3184711,COc1ccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2ccc(O)cc2)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID3237030,CCCCNC(=O)CSc1nc2cc3c(cc2c(=O)n1CCCN(CC)CC)OCO3
+,,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,CID621302,CCOC(=O)c1nc(N)c(=O)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID953647,COc1cccc(OC)c1C(=O)Nc1ccc(Cc2ccncc2)cc1
+,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,CID971646,COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(C)C
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3240744,Cc1nc2c(C(=O)NCCC3=CCCCC3)c[nH]n2c(=O)c1Cl
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID4995551,CCN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID650113,CC(=O)Nc1cc(C(F)(F)F)ccc1OCC1CCCO1
+,,,,,,0.0,0.0,,,,,,,,,,CID2219100,CS(=O)(=O)N(CC(=O)NCCC1=CCCCC1)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID1017691,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl
+,,,,,,,,,,,,,,,0.0,0.0,CID650449,O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)N1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID1787981,CCCC(=O)N(CCN(C(=O)CCC)c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID875689,CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID660570,C=CCc1c(C)[nH]c(SCCC)nc1=O
+,,,,,0.0,,,,,,,,,,,,CID3408560,CSCCC(NS(=O)(=O)c1ccc2ccccc2c1)C(=O)O
+,,,0.0,,,,,,,,,,,0.0,,0.0,CID659122,Cc1nn(C)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2
+0.0,,,,,,,,,0.0,,,0.0,0.0,,,,CID661923,COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1cccc(OC)c1OC
+,,,,0.0,,,,,,,,0.0,,,,,CID2649486,COc1ccccc1NC(=O)Cc1noc(CSc2nnnn2-c2cccc(C)c2)n1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1034613,CCOC(=O)c1nnc2c(Br)c(-c3ccccc3)nn2c1C
+,,,,,,,0.0,,,,,0.0,,,,,CID3241498,COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(F)cc2)CC1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3238273,O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F
+,,,,,,,,,,,,,,0.0,,,CID5453478,C/C(NC1CC1)=C1\C(=O)N(c2nc3ccccc3s2)N=C1c1ccccc1
+0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,,,CID2112496,Cc1cc(C(=O)COC(=O)c2cccs2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID5339150,C/C(=C\c1ccccc1)C(=O)c1c(C)cc(C)[nH]c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID1534875,CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4cccnc4)ccc1c23
+0.0,,,0.0,,,,0.0,,,,0.0,,,,,,CID757453,O=C(CN1CCOCC1)Nc1ccc(Oc2ccccc2)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID653782,CCOc1cccc(NC(=O)CSc2nncn2N)c1
+,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,CID648646,Cc1sc2ncn(CC(=O)N(CC(=O)NC3CCCC3)Cc3cccs3)c(=O)c2c1C
+0.0,,,,,,,,,,,,,,,,,CID4886052,Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3cccc(Cl)c3)CC1)n2Cc1ccccc1Cl
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,CID654666,COc1ccc(-c2nnc(SCC(=O)NCc3ccco3)o2)cc1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,,,CID1265563,COc1ccc(CNC(=O)c2ccccc2SC)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1463733,COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CCCCC3)n2)cc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID559418,Cn1c(=O)oc2cc(S(=O)(=O)N3CCOCC3)ccc21
+,,,,,,,,,,,0.0,,,,,,CID1040466,Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)o1
+,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID2982117,CCC1CCCCN1C(=O)c1nn2cccnc2c1Cl
+,,0.0,0.0,,,,,0.0,,,,,0.0,,,,CID1113703,CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN3CCOCC3)c12
+,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID3243163,CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2
+,,,,,0.0,,,,,,,,,,,,CID3117501,CC1CCC(C(C)C)C(OC(=O)c2ccco2)C1
+,,,,,,,,,,,,,0.0,,,,CID884699,Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,CID664661,CCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cccs1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0,CID2102658,COC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1
+,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID2212657,COc1ccc(CCNC(=O)c2cnn(-c3ccc(C)c(C)c3)c2NC(=O)c2ccco2)cc1OC
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2939973,C#CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2251114,Cc1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1Br
+,,,,,,,,0.0,,,,,,,,,CID3195160,COc1ccccc1NC(=O)N(CCN1CCCC1)Cc1cc2cc(C)ccc2[nH]c1=O
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,CID974833,CC(=O)Cc1nsc(NC(=O)c2csc3c2CCCC3)n1
+,,,0.0,,,,,,,,,,,,,,CID2238103,CCCCSc1cc(C)nc2ncnn12
+0.0,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,CID727608,Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCC3
+,,,,,,,,,,,0.0,,,0.0,,,CID998204,COc1ccc(C(=O)NN)cc1COc1ccc(Br)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2897194,O=C(NC1CC2CCC1C2)c1ccc(CN2CCOCC2)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2357966,Nc1cc(=O)nc(SCC(=O)N2CCc3ccccc3C2)[nH]1
+,,,,,,0.0,,,,,,,,,,,CID663579,CCCCN1c2cc(C)c(O)cc2C(C(=O)OCC)C1C
+0.0,0.0,,,,,,,,,,0.0,,,,,,CID667259,CC(C)CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID5770965,COc1ccc(C(=O)/C=C/C(=O)N(CC(=O)NC2CCCCC2)Cc2ccccc2OC)c(O)c1
+0.0,,0.0,,,,,0.0,,0.0,,0.0,,,,,,CID650464,Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2380164,Cc1cccc(C)c1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
+,,,,,,,,,,,,,,,0.0,,CID2410616,COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl
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+,,,,,,,,,,,,,0.0,,,,CID902800,CCC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1
+,0.0,0.0,,,,,,0.0,,,0.0,,,,,,CID664781,CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CC
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+,0.0,,0.0,,,,,,,,,,,,,,CID658987,CC(C)(C#N)C(C)(C)c1nn[nH]n1
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+,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,CID644820,CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1470573,COc1ccc(N2CCN(C(=O)CSc3nnc(NC(=O)C4CC4)s3)CC2)cc1
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+,,0.0,,,,,,0.0,,,0.0,,,,,,CID816034,CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID649281,COc1ccc2c(c1)C(=O)OC2CC(=O)O
+,,,,,,,,,,,0.0,,,,,,CID2739335,CCOC(=O)N/N=C(\C)c1ccc(Br)cc1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID661224,Clc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID649553,Cc1cc(S(=O)(=O)N2CCN(c3ncccn3)CC2)ccc1-n1cnnn1
+,,0.0,,,,0.0,,,,,,,,,,,CID2947309,CCCS(=O)(=O)N1CCN(c2ccccc2F)CC1
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID2494998,O=C(NCCCN1CCCC1=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID4358481,O=C(CS(=O)c1cccc(Cl)c1)Nc1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID859226,O=C(Cn1nnc(-c2cccs2)n1)NCc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID5236932,CCOC(=O)c1c(C=O)c(C)n(Cc2ccccc2)c1C
+,0.0,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,CID647939,c1ccc(CCn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1627228,Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3cn[nH]c3-c3ccccc3)S2)CC1
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+,,,,,0.0,,,,,,,,,,,,CID3197966,Cc1ccc(C)c(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccsc2)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID3240453,O=C(CCNS(=O)(=O)c1cccc2nonc12)NCc1cccs1
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+,,,,,,,,0.0,,,,,0.0,,0.0,,CID621599,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccsc1
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+,,,,0.0,,,,,,,,,,,,,CID763004,CSc1ccc(CN2CCC(O)CC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID744338,CCC(=O)/C=C1\Sc2ccccc2N1CC
+,0.0,,,0.0,0.0,,,,,,,,,,0.0,,CID2998131,CC(C)Cn1c(O)cc(=O)nc1SCC(=O)NC1CCCc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID2604369,CCCCn1c(SCc2nc(N)nc(Nc3ccccc3C)n2)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2382545,Cc1ccc(COC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5389637,CCCCc1cc(=O)oc2c(CN3CCCC3)c(O)ccc12
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID1250928,CC(=O)N(C(C)=O)c1ccc2[nH]c(C)nc(=O)c2c1
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID2866685,CCOc1cccc(N2C(=O)CC(NCc3ccc(S(N)(=O)=O)cc3)C2=O)c1
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+,,0.0,,,,,,,,,,,,,,,CID657483,Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccccc1)n2CCCc1ccccc1
+0.0,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,0.0,,CID2970793,Cc1cc(C(=O)NCCCn2ccnc2)sc1-c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID2413699,COc1ccc(-c2csc(NC(=O)COC(=O)c3ccco3)n2)cc1
+,0.0,,,,,,,,,,,,,,,,CID712291,CN(C)c1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5346489,COc1cc(/C=C2/C(C)=C(C#N)c3nc(N)c(C#N)c(C)c32)c([N+](=O)[O-])cc1OC
+,0.0,,,,,,,,,,,,,,,,CID5310706,CC(=O)Nc1ccc(N/C=C2/C=CC=N2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1015199,Cc1cc(C)c(C#N)c(SCCS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1205484,O=C(c1ccc([N+](=O)[O-])cc1)N(C1=NCCCCS1)c1ccccc1
+0.0,,,,,,,,,0.0,,,0.0,,0.0,0.0,0.0,CID2088982,Cc1cccc(-n2nnnc2SCc2csc(-c3ccccc3)n2)c1
+0.0,,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,CID659798,CCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID977647,Cc1ccc2cccc(S(=O)(=O)N3CCCc4ccccc43)c2n1
+,,,,0.0,,,,,,,,,,,,,CID3126833,NC(=O)CNC1CC(=O)N(CCc2ccccc2)C1=O
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID3239211,CCOC(=O)c1cccc(NC(=O)CNS(=O)(=O)c2cccs2)c1
+,,,,,,,,,,,0.0,,,,,,CID2184843,Clc1ccc(OCCSc2ncccn2)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID5307744,CCOc1ccc(N(CC(=O)Nc2cccc(F)c2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID3239999,COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc3c(c2)OCO3)cc1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID660530,CCOc1ccccc1NC1=NC(=O)CS1
+,,0.0,,,,0.0,,,0.0,,,,,,,0.0,CID2093033,COc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCCCC2)cn1
+,0.0,,,,,,,,,,,,,,,,CID3245949,Cc1cccc(N(C)C(=O)CCS(=O)(=O)c2cccc3nonc23)c1
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID644995,CCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID2232058,CSc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2966844,COc1ccccc1NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID4056668,COC(=O)CNC(c1ccccc1)c1cc(C)ccc1NS(=O)(=O)c1ccc(C)cc1
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID3239976,Cc1cc2cc(CNC(=O)CC(C)C)ccc2n1C
+0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,,CID2193853,CCOC(=O)c1sc(NC(=O)CSc2ncn[nH]2)c(C#N)c1C
+0.0,,,,,,,,,,,,,,,,,CID5307884,COc1ccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID682151,O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCOCC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1384230,O=c1c2ccccc2nc(N/N=C/c2ccccc2)n1O
+,,,,,,,,,0.0,,,,0.0,,,,CID2618067,COC(=O)c1ccc(CSc2nc3ccc(Cl)cc3[nH]2)o1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID3237376,Cc1cc(C)c(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c(C)c1
+,,,,,,,,0.0,,,,,,,,,CID2189526,COC(=O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
+,,,,,,,,,,,,,,0.0,,,CID1471292,COc1ccc(COC(=O)N/C=C/c2ccco2)cc1
+,,0.0,0.0,,0.0,,,,,,,0.0,,,0.0,,CID2174536,O=C(NCCOC(=O)c1ccncc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID847803,COc1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2088460,Cc1cc(C)n2nc(C(=O)NC(C)(C)C)nc2n1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,CID3239713,O=C(CCSCCc1ccncc1)NCCCN1CCOCC1
+,0.0,,,,,,,,,,0.0,,0.0,,,,CID651388,C=CCNC(=O)c1ccc2c(c1)nnn2C
+,,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID3235789,CC(=O)c1cc2c(cc1NC(=O)CCn1cccc1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID965364,CC(=O)Nc1ccc2c(c1)ncn2C
+,,,,,,,,0.0,,0.0,,,,,,,CID2886813,COC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCN3C(=O)C4C5C=CC(C5)C4C3=O)CC2)cc1
+0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,,,CID1072099,Cc1cccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)c1
+,0.0,0.0,,0.0,0.0,,,,,,,,,,,,CID2999742,COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID655890,CC1CN(C(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)CC(C)O1
+,,0.0,,,,,,,,,,,,,,,CID5389648,C/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O
+,,,,,,,,0.0,,,,,,,,,CID755496,O=C(O)COc1ccc2occ(C(=O)c3ccccc3)c2c1
+0.0,,,0.0,,,0.0,0.0,,,0.0,,,,,,,CID2690181,O=c1[nH]c(CN2CCN(Cc3ccccc3)CC2)nc2sc3c(c12)CCC3
+,,0.0,,0.0,,,0.0,,,,0.0,,,,,,CID647381,CC(=O)Nc1ccccc1C(=O)N1CCc2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID3246741,CCNc1nc(N)nc(Oc2ccc(OCC)nn2)n1
+,,,,,,,,,,,,,0.0,,,,CID3136536,O=C(NCc1ccccn1)C(=O)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID6028340,COC1=C/C(=C/NNC(=O)C(C)n2nnc3ccccc32)C=CC1=O
+0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0,CID645488,CN1CCN(C2=C(Cl)C(=O)N(C3CCCCC3)C2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID1834960,O=C(CSc1nc2ccccc2s1)N1c2ccccc2Sc2ccc(Cl)cc21
+,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID300385,c1ccc(-c2n[nH]c3ccccc23)cc1
+,,,,,,,,0.0,,,,,,,,,CID1604981,CN(C)c1ccc(NC(=O)CSc2nc(N)c(C(=O)Nc3ccc(N(C)C)cc3)s2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2550604,CCC(CC)c1nnc(NC(=O)c2c(C)nn(Cc3ccccc3Cl)c2C)s1
+,,,,,,0.0,,,,,,0.0,,,,,CID664798,C=CCn1c(N)c(C(=O)OCCC)c2nc3ccccc3nc21
+,,,,,,,,,,,,,,0.0,,,CID1238848,CS/C(=N\N(C)C(N)=O)c1ccccc1
+,,,,,,,0.0,0.0,,,,,,,,,CID658538,COc1ccc(-c2cc(-c3ccc(OC)cc3)[nH]n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID931244,CCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID1021177,COc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c(OC)c1
+0.0,,,,,,,,,,,,,,,,,CID663552,CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID889907,Cc1cc(C)cc(OCC(=O)Nc2ccccc2N2CCCCC2)c1
+,,,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,CID973785,Cc1nn(S(=O)(=O)N2CCCCC2)c(C)c1Br
+,,,,,,,,,0.0,,,,0.0,,,,CID900131,O=C(CCSc1ccc(Cl)cc1)N1CCOCC1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID2998697,O=C(CSc1ccccc1C(=O)NCCCN1CCCC1=O)NCc1ccco1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0,CID710590,Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1
+0.0,,,0.0,,,,,,,,,,,,,,CID652239,CC(C)NC(=O)Cn1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc21
+,,,,,,,,,0.0,0.0,,,,,,,CID1432937,O=C(CC12CCC(CC1)C2)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID2093497,COc1ccccc1CNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1
+,,,,,,,,,,,,,0.0,,,,CID15312078,CC(Nc1cc(C(=O)c2ccccc2)ccc1N)=C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,,,,,,,0.0,,,CID760489,Cc1ccc(/C=N/n2c(C)nnc2C)o1
+,,,,,,,,,,,0.0,,,,,,CID1208555,O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCc2ccccc2C1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID227278,CCC(C(=O)c1ccc(O)cc1)c1ccccc1
+,,,,,,,,,0.0,,,1.0,,,0.0,,CID3239940,COCCNC(=O)c1noc2c1CCc1cc(OC)ccc1-2
+0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID647082,CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)N1CCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID658935,CCOC(=O)C1=C(C)NC(=O)C(C#N)C1c1ccncc1
+,,,0.0,,,,,,,,,,,,,,CID2999890,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
+,0.0,,,,,,,,,,,0.0,,,,,CID2956109,CCOC(=O)c1ccc(NC(=O)CC2OCCN(CC)C2=O)cc1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID611239,CCOC(=O)c1c(C)nc(-c2ccccc2)nc1N
+,,,,,,,,,,,0.0,,,,,,CID3123700,CC1=NN(C(=O)c2ccccc2Br)C(O)(c2cccnc2)C1
+,,,,,,,,,,,0.0,,,,,,CID3153106,Cc1ccc(-c2nnn(CC(=O)NC3CCCc4ccccc43)n2)cc1
+,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,CID1219451,CC1=CC(C)(C)N(C(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc21
+,,,,,0.0,,,0.0,,,,,,,,,CID2365962,O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID6242329,CCOc1ccc(N/C=C/C(=O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1
+,,,,,,,,0.0,,,0.0,,,,,,CID1175519,COc1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1
+,,,,,,,0.0,,,,,,0.0,,,,CID3245654,CCC1CCCCN1CCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O
+,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,CID1299482,CN(C(=O)CN1C(=O)c2ccccc2S1(=O)=O)c1ccccc1C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1009130,CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C
+,,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID647726,CCCCSc1nsc(NC(C)=O)n1
+,,0.0,,,,,,,,,,,,0.0,,,CID935028,COC(=O)c1noc(-c2ccc(OC)cc2)n1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID717125,CC(=O)N1CCN(C(C)=O)C1c1ccccc1
+,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,CID2608768,Cc1csc(SCc2c(C(=O)O)oc3ccccc23)n1
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID652218,O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,0.0,,,,,CID5741854,Cn1c(=O)c2c(nc(NCCCO)n2C/C=C/c2ccccc2)n(C)c1=O
+,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,,CID3236362,O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID4767279,CC1=C(C(=O)O)N2C(=O)C(NC(=O)c3nn(C)c(C)c3Cl)C2SC1
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID645736,CC(C)CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccco1
+,,,0.0,,,,,,,,,,,,0.0,,CID3236644,CCN(CC)C(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
+,,,,,,,0.0,,,,,0.0,,,,,CID5309363,O=C(CN1CC(c2ccccc2)CC1=O)Nc1cccc(F)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID2997751,CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)NC2CCCCC2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2768252,CN1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cn2)CC1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID750061,Cc1ccc(-n2cnnn2)c2cccnc12
+,,0.0,,,,,,,,,,,,,0.0,,CID2130269,COCCn1cnc2cc(C)c(C)cc21
+0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID2999746,CC1CCCCC1NC(=O)CSc1nncs1
+0.0,,1.0,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,CID2997963,O=C(c1ccc(Cl)cc1)N1CCCCC(Sc2nnc(-c3ccc4c(c3)OCO4)o2)C1=O
+,0.0,,,,,0.0,,,,,,,,0.0,,,CID665835,CCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID1345738,COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID5389459,CCCCCCN/C(C)=C1\C(=O)NC(=O)N(CCCC)C1=O
+0.0,,,,,,0.0,,0.0,,,,0.0,0.0,,,,CID878433,Cc1noc(-c2ccccc2OC(=O)c2ccccc2)n1
+,,,,,,,,,,0.0,,,,,,,CID1951182,O=C(Oc1cccc(NC2=C(n3nnc4ccccc43)C(=O)c3ccccc3C2=O)c1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,0.0,0.0,,,,,,,CID793381,CCCC(=O)C1CCN(Cc2ccccc2)CC1
+,,,,0.0,0.0,,0.0,,,,,,0.0,,,,CID3243297,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CCc4ccccc4C3)c(C)o2)c1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID671551,Cc1ccc2nsnc2c1S(=O)(=O)NCc1cccnc1
+0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID651658,O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1CCCC1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID654862,Cc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2958213,COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(=O)O
+,,,,,,,,,0.0,,,,,,,,CID986235,CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccc(F)cc2)c1NCc1ccccc1
+,,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,CID644571,CCCn1c(O)c(CN2CCCCC2)c(C)c(C#N)c1=O
+,,,,,,,,,,,,,,0.0,,,CID12004797,Cc1cccc(-c2nc3ccccc3c(=O)n2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID1368416,CCOc1cc(/C=N/NC(=O)COc2ccc(C)cc2)ccc1OC(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1482349,O=[N+]([O-])c1cc(/C=N/O)ccc1SCc1ccccc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID644907,CCC(=O)Nc1ccc2nc(C)n(CC(=O)Nc3ccccc3)c(=O)c2c1
+,,,,,0.0,,,,,,,,,,,,CID868507,CCOC(=O)c1c(C)[nH]c(C=C2C(=O)CC(C)(C)CC2=O)c1O
+,,,,,,,,0.0,,,,,,,,,CID658449,CCNC(=O)CC(=O)Nc1ccccc1C(=O)O
+,,,0.0,,,,,,,,,,,,,,CID5310738,CCN1C(=O)/C(=C2\CCCCN2)c2ccccc21
+,,0.0,0.0,,,,,,,,,,,,,,CID773821,Nc1cc(C(=O)O)ccc1Nc1ccccc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2842864,CC1CCN(S(=O)(=O)c2cccc(C(=O)O)c2)CC1
+,,,,,,,,0.0,,,,,,0.0,,,CID898979,COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CC(C)(C)OC2
+,,,,,,,,,,,,,0.0,0.0,,,CID596243,Cc1ccc(C(=O)n2nnc3ccccc32)cc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,0.0,CID887988,O=C(Nc1ccccc1Oc1ccccc1)C1CC1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID3237169,O=C(c1cccs1)N1CCN(C(=O)c2ccco2)c2ccccc2C1
+0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,,,CID650475,CCOc1cc(C2C(C(=O)OC(C)C)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O
+,,,,,,,,,,,,0.0,,,,0.0,CID5309382,CC1CCCC(C)N1CCCNC(=O)Cn1cc2c(n1)CCCC2
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID886160,CCc1cc(C(=O)COc2ccccc2F)c(O)cc1O
+,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,CID652973,Cc1cc(-c2nnc(SCc3ccccn3)o2)no1
+,,,0.0,,0.0,,,,,,,0.0,,0.0,,,CID2148476,Cn1c(NC(=O)c2ccccc2)cc(=O)n(C)c1=O
+0.0,,0.0,,,,,,,,,,,,0.0,,0.0,CID1148103,O=C(c1ccc(-c2ccccc2)cc1)N1CCN(Cc2ccccn2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID696894,Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CC(C)C
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,CID653601,COc1ccccc1CN(CC(=O)NCc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
+,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,0.0,CID3236077,CC(C)c1cc(C(=O)Nc2cccnc2)no1
+,,,,,,,,,,,,,,0.0,,,CID4919452,COc1ccc(OCCNC(=O)C(Cc2c[nH]c3ccccc23)NC(C)=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID845804,Cc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2079210,O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)NCc1ccccc1Cl
+0.0,,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID3242108,O=C(CCn1c(=O)oc2ccccc21)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID802671,CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID667033,Cc1nc(NCC2CCCO2)nc2c1C(=O)CC(C)(C)C2
+,,,,,,,0.0,,,,,,,,,0.0,CID1266779,COc1ccc(-n2nnnc2S(=O)(=O)Cc2ccc(C(=O)O)cc2)cc1
+,,,,,0.0,0.0,,,,,,,0.0,,,,CID3241084,COc1ccc(OC)c(CNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307881,O=C(Nc1ccc(Br)cc1F)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O
+,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,0.0,0.0,CID663129,C=C(C)CSc1nnc(-c2cccc(Cl)c2)n1N
+,,,,,0.0,,,,,,,,,,,,CID2145781,CC(C)CN1C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)SC1=S
+,,,,,,,,,,,,,0.0,,,,CID1825652,CC(C)Oc1ccc(OCCNC2CCCC2)cc1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID3238724,COc1ccc(CNS(=O)(=O)c2ccc3oc(C(=O)O)c(C)c3c2)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID982223,CC(=O)c1cccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
+,,,,,,,0.0,,0.0,,0.0,,,,,0.0,CID3242117,CCOC(=O)C1C(=O)N(C)C2(C)CC1c1ccccc1O2
+,,,,,,0.0,,,,0.0,,,,0.0,0.0,,CID666455,Cc1nnc2sc(-c3cccc4ccccc34)nn12
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID3243784,Cc1nn(C(C)C(=O)N2CCN(c3ccccn3)CC2)c(=O)c2cc3occc3n12
+0.0,,,,,,0.0,,,0.0,,,,,,,0.0,CID660258,Cc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl
+,,,,,,,0.0,,,,,,,,,,CID3241730,CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)n(C)c3ccccc23)CC1
+0.0,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID657587,Cc1cc2c(C)nc(Cc3ccccc3)nc2o1
+,,,,,0.0,,,,,,,,,,,,CID3241127,CCOc1ccc(C(C)=O)cc1N1C(=O)C2C3C=CC(C3=C(C)C)C2C1=O
+,0.0,,,,,,,,,,0.0,,,,0.0,,CID787690,CN1CCN(C(=O)c2ccc3ccccc3c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID663236,Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCN2CCOCC2)n(C)c1=O
+,,,,,,,,,0.0,,0.0,,,,,,CID810149,Cc1nnc(NC(=O)c2ccccc2C(=O)O)s1
+,,,,0.0,0.0,,0.0,,0.0,,,,,,,,CID3239648,CCC(C)NC(=O)Cn1cccc1C(=O)c1ccccc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID645798,CCOC(=O)c1cc2sccc2n1CC(=O)Nc1ccc(OC)c(OC)c1
+,0.0,,0.0,,,,,0.0,,,,,0.0,,,0.0,CID2210444,CCOC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID977217,CCNc1nc(NCc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1
+,,,,,,,,0.0,,,,,,,,,CID2953511,O=C(Nc1ccccc1)c1ccc(N2CCN(c3ccccc3)CC2)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID844672,Cc1nn(C)c(C(=O)N2CCc3ccccc32)c1Cl
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID2348017,Cc1cc(Br)ccc1SCC(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1820249,O=C(O)/C=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1
+,,,0.0,,,,,0.0,,,0.0,,,,0.0,,CID81472,CCOC(=O)c1cn[nH]c1N
+,,,,,,,,0.0,0.0,,,,,,,,CID974211,Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(N)=O)cc1
+,,,,,0.0,,0.0,,,,,,,0.0,0.0,,CID1366707,Cc1cccnc1-n1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1=O
+0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0,CID892269,c1ccc(-c2noc(CN3CCN(c4ccccc4)CC3)n2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID9550314,CCOC(=O)C(/C=C(\C#N)C(=O)OCC)=C(/N)N1CCN(c2c(C)cccc2C)CC1
+,,,,,,,,,,,,,0.0,,,,CID618289,Cc1ccc(-c2onc3ccc(Cl)cc23)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID665856,Cc1cccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2999208,O=C1OCCC1N1C(=O)c2ccccc2S1(=O)=O
+,,,,,,,,0.0,,,,,0.0,,,,CID936105,O=S(=O)(NCc1ccncc1)c1ccc(Br)s1
+,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,,CID650635,CCn1c(SCC(=O)O)nnc1C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID875165,C=C(C)COc1ccc2c(CC)cc(=O)oc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID666725,CCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,0.0,,,,,,,CID6235451,CCc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1
+,,,,,,,,,,,0.0,,,,,,CID975144,COc1ccc(C(=S)N2CCNCC2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID3241665,Cc1cc(NC(=O)CSc2nccn2-c2ccc(Cl)cc2)no1
+,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID2357239,O=C(Cc1nc2ccccc2[nH]1)NCc1ccco1
+,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID2999352,CNC(=O)NCC12CC3CC(CC(C3)C1)C2
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID658752,Clc1ccc2nc3ccccn3c2c1
+,,,,,,,,,,0.0,,,,,,,CID379772,COC(=O)c1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID837247,CC(C)C(=O)Nc1ccc(C(=O)c2ccccc2)cc1
+,,,,,,0.0,,,,0.0,,0.0,,0.0,,,CID656379,CCOC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID665031,Cn1c(=O)[nH]c(=O)c2c1nc1n2CCCN1CCc1ccccc1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2999555,COc1ccc(C2(C(F)(F)F)NC(=O)N(C)C(=O)N2C)cc1
+0.0,,,,,,0.0,,,,,0.0,0.0,,,,0.0,CID2981561,CCCOc1ccc(N2C(=O)CC(N3CCC(c4nncn4CC)CC3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1415737,CCc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID683837,O=C(NNC(=O)c1ccc(-c2ccccc2)cc1)c1ccccc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID647979,CCOC(=O)CNC(=O)c1cc(-c2ccc3c(c2)OCCO3)oc1C
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID2583790,O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCOCC1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID1267511,c1ccc(CN2CCN(c3nc(-c4ccccc4)nc(-n4ccnc4)n3)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID650146,CCOC(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1105956,COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1[N+](=O)[O-]
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID827711,Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1
+0.0,0.0,,,,,,,,,,,,,,,,CID5309827,CC1=C(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)C2(CCCCC2)OC1=O
+,,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID2897870,O=C(NC(Cc1ccccc1)C(=O)N1CCCC1C(=O)O)c1ccccc1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID847927,c1ccc(-c2csc(N3CCN(c4ccccn4)CC3)n2)cc1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID979757,CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O
+,,,,,,,,,,,,,0.0,,,,CID891140,NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID650600,CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(C)CC3)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID2330048,CCN(CC)c1ccc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID648310,CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=O)Nc1ccccc1OC
+,,,,,,,,0.0,,,,,,,,,CID768131,CC(C)C(=O)N1CCC(CNC=C2C(=O)CC(C)(C)CC2=O)CC1
+,,,,,,,,,,,0.0,,,,,,CID992271,Cc1cc(Cl)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1OCC(N)=O
+,,,,,,,,,,0.0,0.0,,,,,,CID9550399,Cc1ccc(NC(=O)C(CC(C)C)NC(=O)C2CCC(C)CC2)nc1
+,,,,,,,,,,0.0,,,,,,,CID2030299,COc1ccccc1-n1cnc2cc(NC(=O)c3ccco3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID11957125,COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1
+,,,0.0,,0.0,,,0.0,,,,,,,,,CID2999350,O=C(C1COc2ccccc2O1)N1CCc2ccccc21
+,,,,,,,,,,,,,,,0.0,0.0,CID1242782,O=C(Oc1c(CN2CCOCC2)cc(Cl)c2cccnc12)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2078831,CC(C)c1ccc(C(N)=S)cc1
+,,,,,,0.0,,,,0.0,,,,,,0.0,CID2865513,CCCc1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,,0.0,,,CID2457327,COc1ccc(Oc2ncnc3sccc23)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID655978,CCOc1ccccc1NC(=O)C1C2C=CC(O2)C1C(=O)O
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID652100,COCC(=O)N(C)c1nnc(-c2cnc(C)cn2)s1
+,,,,,,,,,,0.0,0.0,,,,,,CID4748301,Cc1nn(C(C)c2n[nH]c(=S)n2-c2ccc(F)cc2)c(C)c1[N+](=O)[O-]
+,0.0,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,CID650627,CCn1c(SCC(N)=O)nnc1-c1cc2c(C)nn(-c3ccccc3)c2s1
+,,,,,,,,,,,0.0,,,,,,CID2214119,CCN1CCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,0.0,0.0,,,,,0.0,,0.0,,,,,,CID3238922,CCC(C)NC(=O)CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID1474956,CC(C)(C)C(=O)Cn1ncc(N2CCCC2)c(Br)c1=O
+,,0.0,,,,,0.0,0.0,,0.0,,,,,,,CID2211233,CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID654523,N#Cc1ccc(CSc2nnc(-c3cnccn3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID754043,CCOc1ccc(NS(=O)(=O)c2cc(C)c(C)cc2C)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID651184,CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc(C)on1
+,0.0,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,CID1298773,COc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID1022007,Cn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,0.0,,,CID1745499,CCCCCCCC(=O)NN1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID1877178,COCCNC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
+,,,,0.0,0.0,,,,0.0,0.0,,,,,,,CID3239414,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccs2)o1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID658134,CCOC(=O)c1c(N)sc2c1CCC1C(=O)N(C3CCCCC3)C(=O)C21
+0.0,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,CID573743,O=C(Nc1cccc2nsnc12)c1cccs1
+,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,CID646043,Cc1ccc2nc3sc(C(=O)N4CCOCC4)c(N)c3cc2c1
+0.0,,,0.0,,,,,,,,0.0,,,,,0.0,CID2997508,Cc1ccccc1-c1nnn(CC(=O)NCc2ccc3c(c2)OCO3)n1
+,,,,,,,0.0,,,,,,,,,,CID661943,COc1ccc2nc(N/C(N)=N/C(=O)C(C)(C)C)nc(C)c2c1
+0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID1017076,CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccccc1OC
+,,,,,,,,,,,,,,0.0,,,CID2105184,CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Br)cc2)c1C
+,,,,,,0.0,,,,,,,,,,,CID658365,CN(C)c1nc2n(c(=S)n1)CCS2
+,,,,,,,0.0,,,,,,,,,,CID2976198,COc1ccc(NC2CC(=O)N(C(C)C)C2=O)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID5310668,COc1ccccc1N/C(C)=C1\C(=O)CSC1=O
+,,,,,,,,,,,,,,0.0,,,CID2551511,CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID3244843,CN(C)c1ccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3370491,O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccccc1
+,,,,,,,,,,,,0.0,,,0.0,,CID674186,CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccccn1
+,,,,,,,,,0.0,,,,,,,,CID3116100,CCCCCCOc1ccc(N2C(=O)CC(NCCc3ccc(S(N)(=O)=O)cc3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2131940,C=CCNC(=O)/C(=C/c1ccc(C)cc1)NC(=O)c1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID5307095,Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCCN1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID3225034,Cc1ccc2c(c1)N(CC(=O)NCc1cccs1)C(=O)C(C)O2
+,,,,,,,,,,,,,,0.0,,,CID2962999,CCOC(=O)N1CCN(c2cc(N3CCN(CC)CC3)c(F)cc2[N+](=O)[O-])CC1C
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+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3159485,Cc1ccc(-c2noc(CCC(=O)NCc3ccco3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2944293,CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID5347923,CC(=O)Oc1ccc(/C(C)=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
+,0.0,,,0.0,,0.0,0.0,,,,,0.0,,0.0,,,CID3244307,CC(C)(C)C1CCc2onc(C(=O)Nc3cccnc3)c2C1
+,,,,,,,,,,,,,0.0,,,,CID1991915,CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(OC)cc3)nnn2-c2nonc2N)cc1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID646488,COc1ccc(OCC(O)Cn2c(Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+0.0,,,,,,,,,,0.0,,0.0,,,,0.0,CID652786,O=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1
+,,,,,,0.0,,,,,,,,,,0.0,CID3241365,CCOC(=O)c1ccc(CNC(=O)C2CCCCC2C(=O)OCC(F)(F)F)o1
+,,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,CID646821,Cn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
+,0.0,,,,,,,,,,,,,,,,CID712283,N#Cc1nc(N)nc(N(c2ccccc2)c2ccccc2)n1
+,,,,,,0.0,,,,,,,,,,0.0,CID665789,COc1cc(C(=O)Nc2nc(N)n(-c3ccccc3)n2)cc(OC)c1OC
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID664216,COc1ccccc1N1CCN(c2ncnc3c2oc2ccccc23)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID790463,CC1(C)Cc2nc3n[nH]c(N)c3cc2CO1
+,,,0.0,,,0.0,,,,,,,,,,,CID3241614,CCOC(=O)c1c(C)c(C(=O)NCCCN2CCCC2=O)c(C)n1CC
+,,,,,,,,,,,,,0.0,,,,CID3477004,CC1CC(NNC(=O)c2ccccc2)=Nc2ccccc2N1C
+,,,,,,,,,,,0.0,,,,,,CID786781,COc1ccccc1N1C(=O)c2cccc3c(C(=O)O)ccc(c23)C1=O
+,,,,,0.0,,,,,,,,,,,,CID702022,C=C(C)COc1ccc2oc(-c3ccccc3)c(C(=O)O)c2c1
+,,,,,,,,,,,,,,0.0,,,CID3159307,CNCC(O)CN(c1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID5408252,O=C1C=CC(=C2NNC(=S)N2Cc2ccccc2)C=C1
+,,0.0,,,,,0.0,,,,,,,,,,CID3241936,COc1ccc(-n2c(=O)cc(N3CC(C)OC(C)C3)[nH]c2=O)cc1
+0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,0.0,0.0,CID3244822,Cc1cc2cc(CNC(=O)c3cc4ccccc4o3)ccc2n1C
+,,,,,,,,,,,,,,0.0,,,CID938368,COC1=C(Nc2ccc(OC)cc2)C(=O)c2ccccc2C1=O
+,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,,CID806742,O=C(Oc1cccc2cccnc12)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,0.0,,,,CID9550997,Cc1ccc(C)c(N2CCN(c3nc4ccccc4c(=O)n3Cc3ccccc3)CC2)c1
+,,,,0.0,,,,,,,,,,,,,CID648455,CN(C(=O)c1ccno1)c1nnc(-c2cnccn2)s1
+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID5307450,O=C(Cn1cc2c(n1)CCCCC2)NCc1cccs1
+,,,,,0.0,,,0.0,,,,,0.0,0.0,,,CID648913,O=C(c1ccc2c(c1)OCO2)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2947414,Cc1ccc(OCc2nnnn2-c2ccccc2)cc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID2497349,COc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cccc2Cl)o1
+,,,,,,,,,,,,,0.0,,,,CID2850800,COc1cccc(CNC2CCCc3ccccc32)c1OC
+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID4305803,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccc(F)c3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1217750,COc1ccc(C(=O)Nc2cccc(-c3cnc4ccccc4n3)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID182362,O=c1cc(-c2ccc(O)cc2)oc2ccc(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID2284606,COc1cc(C=O)ccc1OCCCOc1ccccc1[N+](=O)[O-]
+,,,,0.0,,,,,,0.0,,,,,,,CID445154,Oc1ccc(/C=C/c2cc(O)cc(O)c2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID1540508,CCOC(=O)NC1(Nc2ccc(Cl)cn2)Oc2ccccc2O1
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,,CID2938425,Cc1nn(CC(O)Cn2c3c(c4ccccc42)CCN(C)C3=O)c(C)c1Br
+0.0,,,,,,,,,0.0,,,,,,,,CID661658,Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1
+,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,CID644927,CCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1
+,0.0,,0.0,,,,,,,,,,,,,,CID3239283,Clc1cccc2sc(N3CCCCC3)nc12
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID653291,CC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2nnnn2C)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2855564,CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2)NC(=O)N1
+0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,CID651826,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3cccnc3)C2)cc1Cl
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3245797,COc1ccc(-n2nnc3c(SCC(=O)NCC4CCCO4)ncnc32)cc1
+,,,,,,,,,,0.0,,,,,,,CID4159365,CC1CCc2cc(F)ccc2N1C(=O)c1cnc2sccn2c1=O
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2089876,CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1N1CCOCC1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID650430,Cc1ccc(NC(=O)N2CCC(O)(c3ccc(Cl)cc3)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID661924,C=CCn1c(N)c(C(=O)OCC(C)C)c2nc3ccccc3nc21
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID650690,CS(=O)(=O)NCc1nnc(SCc2ccccc2C(F)(F)F)o1
+0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,CID666636,O=CNCCCc1nc2ccccc2n1Cc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1819215,CCNc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
+,,,,,,,,,,0.0,,,,,,,CID1442863,CC(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
+,,,,,0.0,,,,,,,,,,,,CID2866162,COc1ccc(CC(=O)NCC2CCCO2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID1254961,CC(=O)c1cccc(N(CC(=O)Nc2ccc(F)cc2F)S(C)(=O)=O)c1
+0.0,0.0,,,,,,,,,,0.0,,,,,,CID3245445,COc1cccc2cc(C(C)N(CCCN3CCOCC3)C(=O)Nc3ccccc3)oc12
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID3243525,COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID2089223,COc1ccccc1-n1cnnc1SCC(=O)N1CC(=O)Nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID1489662,Cc1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2
+,,,,,,,,,,,,,0.0,,,,CID3525489,CCCn1nc([N+](=O)[O-])c(C(C#N)c2nc3ccccc3o2)c(Cl)c1=O
+,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,0.0,CID648355,COc1ccc(S(=O)(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID664237,COc1cc2c(cc1OC)-c1cc(NC3CCCCC3)nc(=O)n1CC2
+,,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID1517107,CCOC(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2cc(OC)c(OC)cc12
+,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID652240,Cc1csc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)n1
+0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,,0.0,CID2997827,CC1CN(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)CC(C)O1
+,,,,,,,,,,,,,,0.0,,,CID2954671,CCN1CCCC1CNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID572777,O=C1c2ccccc2C(=O)N1CCC1=CCCCC1
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID5309600,O=C(NCc1ccco1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
+0.0,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0,CID652202,Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1C
+,,,,,0.0,0.0,,,,,,,,0.0,,0.0,CID646597,CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,,,CID2227937,Cc1ccc(-c2cc(C(=O)NCCCN3CCOCC3)no2)cc1
+0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID654882,Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccccc1O
+,,,0.0,,,,0.0,,,0.0,,,0.0,,,,CID3245079,CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
+,,,,,,,,,,,,,,0.0,,,CID709314,Cc1cc(C)c(NC(=O)CO/N=C2\CCCc3nonc32)c(C)c1
+0.0,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID812637,COc1cc(C(=O)Nc2nnc(C)s2)cc(OC)c1OC
+,,,,,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID807668,O=C(CCCc1ccccc1)N1CCc2ccccc21
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID2125357,CCCOc1ccc(NC(N)=O)cc1OCCC
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID934138,Cn1nnc(NC(=O)CSc2ccc(Cl)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID2246652,Cn1cc(C(=O)N/N=C/C=C/c2ccccc2)ccc1=O
+,,,,,0.0,0.0,,,0.0,,,,,,,0.0,CID662414,Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CC(C)(C)OC3)cc1
+,,,,,,,,0.0,,,,,,,,,CID2348962,O=C(NOC(=O)c1ccccc1Cl)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID1256690,O=S(=O)(c1cc(-c2nc3ccccc3s2)ccc1Cl)N1CCOCC1
+,,,0.0,,,0.0,,,,,,,,,,,CID658799,O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID827832,CCOC(=O)c1sc2ccccc2c1OC(=O)c1ccccc1
+0.0,,,0.0,,,,,,,,,0.0,,,0.0,,CID4276367,Oc1c(C(c2ccco2)N2CCN(C(c3ccccc3)c3ccccc3)CC2)sc2ncnn12
+,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,,CID2117104,CCCCn1nc(C(=O)NC2=NCCS2)c2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,0.0,,CID651013,Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1
+0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,,,CID2099264,CCCc1cc(=O)oc2cc(Oc3ncccn3)ccc12
+,,1.0,,,,,,,,,,,,,,,CID4289057,CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID383674,CCOC(=O)C(NC(=O)CC)(Nc1cc(C)on1)C(F)(F)F
+0.0,,,,,,,0.0,,,,,0.0,,,0.0,,CID2215035,CCOc1ccccc1OCc1nn2c(COc3ccccc3)nnc2s1
+,,,,,0.0,,,,0.0,,,,,,,,CID651900,CCC(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,CID1251601,Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccco2)ccc1C
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID664375,CCN1C(=O)/C(=C\N2CCCCCC2)SC1=S
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID645613,CCS(=O)(=O)N1CCC(NC(=O)c2ccco2)CC1
+,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,CID646260,CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID3244054,O=C(C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)N1CCN(Cc2ccccc2)CC1
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+,,0.0,,,,,,,,,,,,,,0.0,CID1090691,O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ncn[nH]1
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID5308496,CCOC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
+,,0.0,,,,0.0,,,0.0,,0.0,,,,,,CID731330,CCn1cnc2scc(-c3ccccc3)c2c1=O
+,0.0,0.0,,,0.0,,,,,,,,0.0,,,,CID5389192,COC1=C/C(=C2\NNC=C2C(=O)c2ccccc2)C(=O)C=C1
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+,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,CID1247173,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID650949,CN(Cc1ccccc1)Cc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
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+,0.0,,,,,0.0,,0.0,0.0,,,,,,,,CID657759,Cc1ccc(Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1
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+,,,,,,,,,,,0.0,,,,,,CID5771509,COC(=O)C1=C(C)N2NN=NC2=NC1c1ccc(Cl)cc1
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+0.0,0.0,,,,,,,,,,,0.0,,,,0.0,CID3244069,CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2Cl)CC1
+,,,,,,,,,,,,,,0.0,,,CID1012352,Cc1cc(/C=N/NC(=O)c2nn(C)cc2Cl)c(C)n1-c1cccc(Br)c1
+,,,,,,,,,,,,,,0.0,,,CID852652,Cn1c(CCNC(=O)c2ccc(Cl)cc2)n[nH]c1=S
+,,,,,,,,0.0,,,,,,,,,CID2114469,CC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
+,,,0.0,,,,0.0,,,,,,,,,,CID3241948,CC1CN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC(C)O1
+,,,,,,,,,,,,,0.0,,,,CID16195419,Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)Nc3ccc(F)cc3F)ccc2n(C)c1=O
+,,,,,,,,0.0,,,,,,,,,CID1376847,COc1ccc(N2CCN(Cc3ccc(Br)s3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1336904,COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCc2ccccc21
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID2123581,c1cc(-n2cnnn2)ccc1NC1=NCCC1
+,,,,,0.0,,,,,,,,,,,,CID5345848,O=C(/C=C\Nc1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(F)cc1
+,,,,,,,,0.0,,,,,,,,,CID2223751,CCOc1cc(CN2CCN(CCOCCO)CC2)ccc1OC
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+,,,,,,,,,0.0,,,,,,,,CID654931,Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3F)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
+,,,,,,,,0.0,,,,0.0,0.0,,,,CID207582,Cc1cc(=O)oc2cc3c(cc12)OCCO3
+,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,CID3100928,Cc1nnc(NC(=O)C2CCCCC2)s1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID2971216,Cc1cc(C(=O)NCCCn2ccnc2)cs1
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+,,,,,,,,0.0,,0.0,0.0,,,,,,CID743768,Cc1ccc(C(=O)O)cc1NC(=O)c1cccs1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,,,CID2895424,C=CCSc1nnc2c(n1)OC(c1cccnc1)Nc1ccccc1-2
+,,,,,0.0,,,,,,,,,,,,CID3243144,O=C(NCc1ccc(F)cc1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2999123,CCN(CC(=O)NC1CCS(=O)(=O)C1)C(=O)C(c1ccccc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2259021,O=C(CSc1nc2ccccc2[nH]1)c1ccc(-c2ccccc2)cc1
+0.0,0.0,,,,,,0.0,0.0,,,,,,,,,CID3235582,COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID802905,O=C(/C=C/c1ccc(Br)o1)OCc1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID648177,CC(c1ccccc1)n1cc(C(=O)NCCN2CCOCC2)nn1
+,,,,,,0.0,0.0,,,,,,,,,,CID5389140,CC1=CC(Oc2ccccc2)=N/C(=C2/C=CC=CC2=O)N1
+,,,,,0.0,,,,,,,,,,,,CID5349666,CN1/C(=c2\cc3c(oc2=O)=C(CN2CCOCC2)C(=O)C=C3)Nc2ccccc21
+0.0,,0.0,,,,,0.0,,,,0.0,,,,,,CID607941,O=C1c2ccccc2C(O)(c2ncc[nH]2)N1C1CCCCC1
+,,,0.0,,0.0,,,0.0,,,,,,,,,CID713214,CCOC(=O)Nc1ccc2ncn(C)c(=O)c2c1
+,0.0,,,,,,,,,,,0.0,,0.0,,0.0,CID715379,O=C(Cn1nnc(-c2ccc3c(c2)OCO3)n1)NCc1ccco1
+,,,,,0.0,,0.0,,,,,,,,,,CID625855,CC1(C)CC(=O)C2(CC3=C(CC(C)(C)CC3=O)O2)C(=O)C1
+,,,,,,0.0,,,,,,,,,,,CID867403,Fc1ccccc1NC1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID5310643,CC/C(=C\C(=O)c1ccncc1)Nc1ccc(O)cc1
+0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID663473,COc1ccccc1-c1nc(C#N)c(N2CCc3ccccc3C2)o1
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+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID654362,CCOc1ccc(C(=O)Nc2nnn(CC)n2)cc1
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+,0.0,,,,0.0,,,,,,0.0,,,,,,CID661062,N#Cc1nc(-c2cccs2)oc1NCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1465907,O=C(CSc1nc(C2CCCCC2)nc2ccccc12)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID877870,Cc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,CID651576,COC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)sc(C)c1C
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+,,,,,0.0,,,,,,,,,,,,CID3677272,S=C1N(c2ccccc2)C(c2ccc(Cl)cc2)N2CCCN12
+,,,,,,0.0,0.0,,,,,,,,,,CID2055082,Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)no1
+,0.0,,,,,0.0,,,,,,0.0,,0.0,,0.0,CID752167,COC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID883381,O=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2091972,CCNc1nc(-c2cc3ccccc3o2)cs1
+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID3163753,O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2Cl)CC1
+,,0.0,,,,,,0.0,,,,,,,,,CID3238501,O=C(CCNS(=O)(=O)c1cccc2nonc12)NC1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID943691,CCc1ccc(CCC(=O)Nc2sc(C)c(C)c2C(=O)OC)o1
+,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,,CID2999984,CCn1c(CSc2nnc(-c3ccoc3C)n2C)nc2cc(S(=O)(=O)N(C)C)ccc21
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID4616029,COc1ccc2nc(NC(=O)CCc3nc(C4=CCN(C)CC4)no3)sc2c1
+,,,,,0.0,,,,,,,,0.0,,,,CID1331519,O=C(Nc1ccccc1F)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
+,,,,,,,,,0.0,,,,,,,,CID648041,CCS(=O)(=O)C(=C1NCCN1)S(=O)(=O)CC
+,,0.0,,,,,,,,,,,,,,0.0,CID2999672,COc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCc4ccccc43)C1=O)oc1ccccc12
+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID2093645,CCCCNC(=O)Nc1ccon1
+0.0,,,0.0,,,0.0,,,,0.0,,,,,,0.0,CID658225,CNc1ccccc1-c1nc2ccccc2n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID890701,Cc1cc(Br)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1C
+,,,,,,,0.0,,,,,,,,,0.0,CID660390,N#C/C(C(=O)N1CCOCC1)=C1/SC(Cc2ccccc2)C(=O)N1c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID729588,Cc1cc(NC(=O)CN2CCN(C)CC2)no1
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+,0.0,0.0,,,0.0,,,,,,,,,,,,CID3240520,COc1ccc(C2CCCN2C(=O)c2cccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16187818,Clc1cccc(C2CCN(Cc3nc(COc4ccccc4)no3)C2)c1
+,,,,,,,,,,0.0,,,,,,,CID649309,Cc1ccc(-c2nnn(CC(=O)N3CCCCC3)n2)c(-n2cnnn2)c1
+,,,0.0,,,,,,,,,,,,,,CID645877,C#CCNc1cc(C)nc2ncnn12
+,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,CID3238492,O=C(CCS(=O)(=O)c1cccc2nsnc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID2837741,C/C(CC1(O)/C(=N/O)CCc2nonc21)=N\O
+0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,,CID659268,O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1
+0.0,,,,,,,,,,,,0.0,,0.0,0.0,,CID749148,CCCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID660373,CC(=O)C1=C(O)C(=O)N(CCCCCC(=O)O)C1c1ccc(N(C)C)cc1
+,,,,0.0,,0.0,,,0.0,,0.0,,,,,,CID662670,COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,0.0,,,,,,CID2298706,O=C(NCCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12
+,,0.0,,,,,,,,,,,,,,,CID664062,CC(C)Oc1ccc(C(=O)N(Cc2ccco2)C2CCS(=O)(=O)C2)cc1
+,0.0,,,,,0.0,0.0,,,,,,,0.0,,,CID650125,Cc1cc(C)nc(N(C#N)CC(=O)Nc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID879502,CCOc1ccc2c(C)c(Cl)c(=O)oc2c1
+,,,,0.0,0.0,,,0.0,,,,,0.0,,,,CID2571413,CC(C)Cn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID1212564,COC(=O)c1ccc(-c2ncc(-c3cccc4ccccc34)o2)cc1
+,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,CID2997570,Cc1cc(=O)oc2cc(NC(=O)C3COc4ccccc4O3)ccc12
+,,,,,,,,,,,0.0,,,,,,CID1432744,CCc1nnc(NC(=O)CSc2ccc(-c3nc4ccccc4[nH]3)cn2)s1
+,,,,,,,,,0.0,,,,,,,,CID2765918,C=CCNC(=O)c1snnc1-c1ccccc1
+,,,1.0,,,,,,,,,,,,,,CID1246120,O=C(Nc1ccncc1)c1c(F)cccc1F
+0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,0.0,,0.0,CID652479,Cn1c(CNc2cccc(Cl)c2)nnc1SCC(=O)OC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1828117,Cc1ccc(NC(=O)C(=O)N2CCCC2)cc1Cl
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID644526,O=c1sc2ccccc2n1CCOc1ccccc1
+,0.0,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,CID647873,Cc1nc2ccccn2c1C(=O)NCCCN1CCOCC1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID3212801,COCCN(C(=O)CC(C)(C)C)c1nnc(-c2cccnc2)s1
+,,,,,,,,,,,0.0,,,,,,CID3102407,COCCNC(=O)C(=O)Nc1ccc(Br)cc1
+,,,,,,,,,,,0.0,,,,,,CID11957206,COc1ccc(CN/C=C2\Nc3ccc(Br)c(Cl)c3C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2237501,CC(C)(C)C(=O)NC(=S)NNC(=O)C(c1ccccc1)c1ccccc1
+,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,,CID1264081,COc1ccccc1-n1c(-c2ccoc2)nc2ccccc2c1=O
+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID663374,CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cnccn1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID2962762,CCNC(=O)CC1C(=O)N(c2ccc(C)cc2)C(=O)N1Cc1ccccn1
+,,0.0,,,,,,,,,,0.0,,,,,CID2962554,CCCC1=C(C(=O)OCC)C(c2ccc(NC(C)=O)cc2)NC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID1316871,Cc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
+,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID646111,Cc1cc(C)c2[nH]c(=O)c(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc2c1
+,,,,,,,,,,,,,,,0.0,,CID3238326,COc1ccccc1NC(=O)CSc1nnc(CNC(=O)c2ccco2)o1
+,,0.0,,,,,,0.0,,,,,,,,,CID966835,CS(=O)(=O)N(CC(=O)N1CCOCC1)c1ccc2c(c1)OCO2
+,,,,,,,,,0.0,0.0,,,,,,,CID1443995,COc1ccc(C2(NC(C)=O)CCN(C(=O)c3cccs3)CC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID647497,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)n1
+,,,,,0.0,,,,,,,,,,,,CID787249,CCS(=O)(=O)C(=CNc1ccccc1)S(=O)(=O)CC
+,,0.0,,0.0,,,,,,,,,,,,,CID3246760,CS(=O)(=O)NCCC1=CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID2672892,COc1cc(CC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc(OC)c1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID1025203,COc1cc(OC)cc(-c2n[nH]c(=S)n2-c2cc(OC)ccc2OC)c1
+,,,,,,,,0.0,,,,,,,,,CID569322,O=C(c1ccccc1)N1CCCc2ccccc21
+,,,,0.0,0.0,0.0,,,,,,,,0.0,,,CID5013601,CCCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1898568,O=C(N/N=C/C=C/c1ccco1)c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID2253313,COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID1120919,CCNC(=O)c1c(NC(C)=O)sc2c1CCCC2
+,,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID665113,Cc1ccc2cc(CN(C)C(=O)C3CCCO3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID576570,Cn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID759936,CC(=O)N(/N=C1\Sc2ccccc2C1=O)c1ccccc1C
+,,0.0,,,,,0.0,,,0.0,,,,,,0.0,CID3238523,COc1ccc(C(C)NC(=O)C2C(=O)NC3(C)CC2c2ccccc2O3)cc1
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID387726,N#CC1=C(N)N(c2ccccc2)C(c2ccccc2)C1(C#N)C#N
+,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2620664,Cc1cc(C)n(CCCNC(=O)c2ccc3c(c2)NC(=O)CS3)n1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID3000061,Cc1nc(NC(=O)CN2CCOCC2)sc1-c1ccccc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID735660,O=C(N1CCOCC1)n1nnc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID734582,COCc1nnc(NC(=O)C(C)C)s1
+,,,,,,,0.0,,,,,,,,,,CID271578,COc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c2ncccc2c1
+,,,,,,,,,,,,,,0.0,,,CID2422970,CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)O)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID2961834,COC(=O)C(O)(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID4235151,Cc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1
+,,,,0.0,,,,,,,,,,,,,CID650508,O=C(c1ccco1)N1CCN(C(c2ccccc2Cl)c2nnnn2Cc2cccs2)CC1
+,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,CID3242816,Cc1cc(=O)n2nc(N3CCC(C(=O)NCc4cccnc4)CC3)sc2n1
+,,,0.0,,,,,,0.0,0.0,,,,,0.0,,CID663508,COc1cccc(-c2nnc(SCC(=O)OC(C)C)n2N)c1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID3236119,CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc(F)c(F)c3)ccc21
+,,,,,,,,,,0.0,,,,0.0,,,CID4456434,CCOc1ccccc1NS(=O)(=O)c1cccc2nsnc12
+,,,,,,,,,0.0,,,,,,,,CID2207202,Cc1cc(C(=O)NNC(=S)NC(=O)/C=C/c2ccccc2Cl)n[nH]1
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID5309210,Cc1[nH]nc2c1C(c1ccccc1F)NC2=O
+,,,,,,,,,0.0,,0.0,,,,,,CID626543,CCCn1c(C(O)c2ccc(OC)cc2)nc2ccccc21
+0.0,,,,0.0,,,,,,,,0.0,0.0,,,,CID654781,CCC(C)(C)N1CC(=O)N(Cc2ccccc2)C(c2ccc(OC)cc2)C1=O
+0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID1084706,CC(=O)Cc1nsc(NC(=O)c2c(-c3ccccc3Cl)noc2C)n1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID650338,Brc1ccc(C2=Nn3c(nnc3-c3ccncc3)SC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2205970,CSc1ccccc1NC(=O)CSCc1ccccc1Br
+,,,,,,,,0.0,,0.0,,,,,,,CID2928598,CC(C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID701365,COc1ccc(N(C(=O)C(C)C)S(=O)(=O)c2cccs2)cc1
+,0.0,,,,,,,,0.0,,,,0.0,0.0,,0.0,CID1072488,CCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)c(Cl)cc12
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3237819,Cc1cc(C)cc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1
+0.0,,,0.0,,,,,,0.0,,,,,,,,CID935049,CCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID5307730,COCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID1033407,CC(=O)Nc1sc2c(c1CN1CCN(c3ccc(F)cc3)CC1)CCCC2
+,,,,,0.0,,,,,,,0.0,,,0.0,0.0,CID655701,Cc1ccccc1NC(=O)N1C2CCCC1CC(NC(=O)C(C)(C)C)C2
+,,,,,,,,,,,,,0.0,,,,CID2385652,O=C(NCCN1C(=O)S/C(=C\c2cccs2)C1=O)c1ccco1
+,,,0.0,,,,,,,,,,,,,,CID6324544,Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID2612601,COc1ccc(OCCSc2nnc3sc4ccccc4n23)cc1
+,,,,,,,,,,,,,0.0,,,,CID3875781,Cc1sc(NC(=O)c2ccco2)c(C(c2cccnc2)N2CCC(C)CC2)c1C
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID921812,CC(C)(O)C(=O)NN(C(=O)c1ccccc1)c1ccc2ccccc2c1
+,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,CID658246,CCOc1nc(SCCOc2ccccc2)nc(N(C)C)n1
+,,,,,,,,,,,,,0.0,,,,CID2898051,CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)CCCC3)c2ccccc21
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID3241946,COc1ccc(-c2cnnn2-c2ccc(N)cc2)cc1OC
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID4577121,Cc1csc2ncc(C(=O)Nc3ccccc3Cl)c(=O)n12
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID1256402,COc1ccc(Cl)c(Cn2c(NCc3ccco3)nc3c2c(=O)n(C)c(=O)n3C)c1
+,,0.0,,,,,0.0,,,0.0,,,,,,0.0,CID3241085,CCC1Oc2ccc(C)cc2N(CC(=O)NCc2cc(OC)ccc2OC)C1=O
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID2855725,CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2Cl)NC(=O)N1
+0.0,,,0.0,,,,,,0.0,0.0,,,,,,,CID780382,COc1ccc(NC2=Nc3ccccc3CC2)cc1
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID3244858,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1
+,,,0.0,,0.0,,,,,,,,,,,,CID5409720,CN1/C(=C/C(=O)C2CCC2)Sc2ccccc21
+0.0,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID664204,COc1ccccc1CNC(=O)NC(Cc1ccccc1)C(=O)O
+,,,,,,,,,,,0.0,,,,,,CID935391,CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID4414626,O=C(NC(=S)Nc1nc2c(ccc3ccccc32)s1)c1cccs1
+,,0.0,,,,,,0.0,,,,,0.0,,,,CID614604,CC(=O)Oc1cc2c(C(C)=O)coc2c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID630988,CC(=O)Nc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1918290,COc1ccc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc1CSc1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID5150993,CC(NC(=O)C(=O)NN=C1CCCCCCCCCCC1)c1ccccc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID886207,CCNc1nc(C)c2cc(Br)c(=O)n(CC)c2n1
+,,,,,,,,,,,,,0.0,,,,CID2271650,O=C(Oc1ccc2ccc(=O)oc2c1)C1CCCCC1
+0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,,CID645357,CC1CCCCN1C(=O)Nc1cccc(Cl)c1
+0.0,,,,,,,,,0.0,,,0.0,,,,,CID3244773,COc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID792618,CN(C)c1ccc(CN2CCCCCC2)cc1
+,,,,,,,0.0,0.0,,0.0,,0.0,,,,,CID532723,O=C(Oc1ccc2ccccc2c1)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID3696529,Cc1ccc(C(=O)c2c(C)oc3c2C(=O)C(=O)c2ccccc2-3)cc1
+,,,,0.0,0.0,,,,,0.0,,,,,0.0,,CID645026,Cc1cc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2cc1C
+,,,,,,,,,,0.0,,,,,,,CID2214554,O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID2868270,CCOC(=O)c1ccc(NC(=O)CCNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6002117,O=C(c1ccc(S(=O)(=O)c2cccc(Cl)c2)c([N+](=O)[O-])c1)N1CCN(c2ccccn2)CC1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID3237972,CN(CCNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O)Cc1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID658070,CCOC(=O)C1=C(CSc2nc(C)cc(C)c2C#N)OC(N)=C(C#N)C1c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2996992,O=C1CC(N2CCN(c3ccc(O)cc3)CC2)C(=O)N1c1ccc2c(c1)OCO2
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID662566,COc1cccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID1303721,CCOc1cccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)c1
+,0.0,,,,,,,,,0.0,,,,,,,CID3243288,Cn1c2ccccc2c2c(C(=O)N3CCN(c4ccccn4)CC3)cn(C3CCCC3)c(=O)c21
+,,,,,,,,,,,,,0.0,0.0,,,CID2790368,COc1ccccc1/C=N/Nc1cn[nH]c(=O)c1Cl
+,,,,0.0,,,,,,,,0.0,,,,,CID2376768,NC1=C(c2ccc(F)cc2)C(=O)CS1
+,,,,,,,,,0.0,,,,,0.0,,0.0,CID3244367,Cc1ccc2c(c1)N(CCC(=O)NCC1CCCO1)C(=O)CO2
+,,,,,,,,,,,,,,0.0,,,CID5345716,COC1=CC=C/C(=C\NNC(=O)CC2C(=O)NN=C2C)C1=O
+0.0,,,,0.0,,,,,,,,,,,,,CID3246747,COc1ccccc1/C=c1\sc2nc(-c3cccs3)nn2c1=O
+,,,,,,,,,,,0.0,,,,,,CID712803,Cc1nn(-c2ccccn2)c2c1-c1nc(N)ncc1CC2
+,,,,,,,,,0.0,,,,,0.0,,,CID2604144,CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1
+,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,CID666101,CCCC(C(=O)c1ccccc1)n1cncn1
+,,,,,0.0,,,,,,,0.0,,,,,CID236275,c1coc(-c2nc3ccccc3nc2-c2ccco2)c1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID2255407,O=C(/C=C/Nc1cccc(O)c1)c1ccccc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID2051863,O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCCCCC1
+,,,,,0.0,,,,,,,,,,,,CID1117060,O=C(NNC(=O)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,CID3236435,CCn1c(C(=O)N2CCCC(C(=O)NCCc3ccc(C)cc3)C2)cc2sccc21
+,,,,,,,,,,,,,,,,0.0,CID5740735,COc1ccc(C2CC(=O)C3=C(C2)N=C2N=CNN2C3c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1481479,O=C(NNC(=O)C1CCN(Cc2ccccc2)CC1)c1cccs1
+,,,,,,,,,,,,,,,0.0,,CID662407,NC(=O)C1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID843180,Cc1cc(C(=O)N/N=C/c2cccnc2)cs1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID541175,CCOc1ccc2nc(NC(NC(C)=O)(C(=O)OC)C(F)(F)F)sc2c1
+,,,,,0.0,,,,,,,,0.0,,,,CID692527,O=C(/C=C/c1ccccc1Cl)NCc1ccco1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID2081675,O=C(Nc1ccc2c(c1)OCO2)c1ccc(Cl)nc1
+,0.0,0.0,,0.0,,,,,0.0,,,1.0,0.0,1.0,,,CID2084089,Cn1cnnc1SCc1ccc(C(=O)n2ncc(C#N)c2N)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID3245709,O=S(=O)(c1ccc(F)cc1)N1CCCC(CO)C1
+,,,,,0.0,,,,,,,,,,,,CID2271241,CCCNC(=O)/C=C/c1ccc2c(c1)OCO2
+0.0,,,0.0,,,,,,0.0,0.0,,,,,,,CID647780,Cc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4)C3)n2)o1
+,,,,,,,,,,,,,0.0,,,,CID2927337,CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCC2
+,,,,,,,,,,,0.0,,0.0,,,,CID919266,Cc1nn(CC(=O)O)c(C)c1Cl
+,,,,0.0,,,,,,,,,,,,0.0,CID644780,CCCCn1nnnc1SCC(=O)Nc1cccc(C)n1
+,,,,,,,,,,,,,0.0,,,,CID992531,COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccncc3)S(=O)(=O)c3ccc(C)cc3C)cc12
+,,,,,,,0.0,,,,,,,0.0,,,CID944995,O=C(CN1C(=O)COc2ccccc21)Nc1ccc(F)cc1
+0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,CID665546,COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3)CC2)c2c(C)cccc2n1C
+,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,0.0,CID650336,CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1
+0.0,,0.0,,,,,,,,,,,,,,,CID5309397,CCN(CC)CCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID977580,CCC(C)(C)NC(=O)Cc1ccccc1OC
+,,,,,0.0,,,0.0,,,,,,,,,CID3724077,Cc1ccc2c(c1)C=CC(C)N2C(=O)c1ccccc1
+,,,,,0.0,,,,,0.0,,,,,,,CID4418419,CC(C)C(CCN1C(=O)c2ccccc2C1=O)c1ccco1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,,CID2107086,O=c1c2ccccc2nnn1CSc1nnc(-c2cccnc2)n1-c1ccccc1F
+,,,,,,,,0.0,,,,,,,,,CID1082177,CCn1c(CNc2ccc(Cl)cc2)nnc1SCCN1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID824899,O=C1CCCCN1CCc1c[nH]c2ccccc12
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID5309125,CC1CCN(C(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)CC1
+0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,CID652710,COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID5309280,Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1
+,,,,,,,,,0.0,,,,,,,,CID1455671,COc1ccc(CN(Cc2ccco2)S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,CID805876,Cc1c(C(=O)NCc2cccnc2)oc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2933627,O=C(CC(Nc1ccccc1Cl)C(=O)OCC(=O)c1cccs1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1078322,Cc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1
+,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,0.0,0.0,CID834465,COc1ccc(CNC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1
+,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,CID2171196,CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2322195,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1NS(=O)(=O)c1cccs1
+0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0,CID2999489,N#Cc1ccc(CSc2nnc(NC(=O)C3CCCO3)s2)cc1
+0.0,,,,,,,,,,,,,,,,,CID660987,COC(=O)c1cc(Br)c(=O)n(CC(C)C)c1
+,,,,,,,,,,,,,,0.0,,,CID5003778,Nc1cccc(C(=O)OCC(=O)NC2CCCc3ccccc32)c1
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3241123,CCC1CCCCN1CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
+,,,,0.0,,,,,,,,,,,,,CID2854854,CC1=C(C(=O)OCC2CCCO2)C(c2ccc(O)cc2)NC(=O)N1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID963687,Cc1[nH]c(SCc2ccc(Br)cc2)nc(=O)c1C
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID876336,COc1ccc(NC=C2C(=O)CCCC2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2943319,N#Cc1cc2c(nc1SC1CCCCC1O)CCCC2
+,0.0,,,,,,,,,,,,,,,,CID4062440,CNC(=O)c1c[nH]n2c(=O)c(Cc3ccccc3F)c(C)nc12
+0.0,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,CID2360235,CCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12
+0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0,CID644392,COc1cccc(/N=C2\SC(C(=O)Nc3ccccc3F)CC(=O)N2C)c1
+,,,,,,,,,,,,,,0.0,,,CID3323238,COC(=O)C1CC(O)CN1C(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1559440,O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)CCc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID939723,CCOC(=O)N1CCN(CC(=O)c2c(C)[nH]c3ccccc23)CC1
+,0.0,,,,,,,,,,,,,0.0,,,CID2834164,CC1(C)C(c2ccccc2)=NC(c2ccccc2)N1O
+,,,,,,,,,,,,,,0.0,,,CID5030363,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc2ccccc2n1CCC#N
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID1093460,Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21
+,,,,,,,,,,,,,,,0.0,,CID3241193,COc1ccc2cc3cc(C(=O)Nc4ccc5c(c4)OCCO5)oc3nc2c1
+,,,,,,,,,,,,,,0.0,,,CID2913158,COc1cccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID863227,O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID845793,CC1=CC(C)(C)N(C(=O)CSc2nnc(N)s2)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID4359626,COc1ccc(CNC(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC
+,,,,,,0.0,0.0,,,,,,,,,,CID1751698,CCOC(=O)CCc1c(C)c2ccc(OCC(=O)N(CC)CC)c(C)c2oc1=O
+,,,,,,,,,,,,,,0.0,,,CID1971916,Cc1nc(Nc2c(Cl)cccc2Cl)sc1C(=O)Nc1ccccc1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID646582,CC1CCCCN1C(=O)Cn1nnc(-c2cccnc2)n1
+,,,,,0.0,,,,,,,,,,,,CID9550239,CC1CCCC(NC(=O)C2CCCN2S(=O)(=O)c2cccc3nsnc23)C1C
+,,,0.0,,,,,,0.0,,,,,,,,CID6400947,CN(C)CCCN(CCCNC(=O)/C=N/O)Cc1ccccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID868018,COc1cc(C(=O)N/N=C/c2ccsc2C)cc(OC)c1OC
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID652788,CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)C)cc2c1
+,,,,,0.0,0.0,,,,,,,,,,0.0,CID663058,CC12CCC(C(=O)NCCCN3CCOCC3)(OC1=O)C2(C)C
+,,,,,,,,,,,,,,0.0,,,CID1480614,CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID2948723,C=C1C2(C(=O)NCc3ccco3)CCC(C2)C1(C)C
+,,,,,,,,,,,,,,0.0,,,CID851372,Cc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(N)=O
+,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,CID666675,CC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID648562,O=C(Nc1ccc2c(c1)OCO2)c1cn(Cc2ccc(F)cc2)nn1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,0.0,CID814775,O=C(CCc1ccccc1)Nc1ccncc1
+0.0,0.0,,,,,,,,0.0,,,,,,0.0,,CID662892,Nn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CCCCC1
+,,,,,,,,,,,,0.0,,,,0.0,CID3240779,CCOC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N
+0.0,,,,0.0,0.0,,,,,,0.0,,,,0.0,0.0,CID2999032,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc2c(c1)OCCO2
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID646122,COc1ccc(C(=O)NCC(C)CN(C)C)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2178327,Cc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C/c3ccccn3)S2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2191222,CC(/C=C1\N=C(SCc2ccccc2)SC1=O)=C\c1ccccc1
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+,0.0,,,,,,,,,,,,,,0.0,,CID653927,COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2C)cc1OC
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+0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,,CID664883,CNc1oc(Cc2cccc3ccccc23)nc1C#N
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+,0.0,,,,,,,,,,,,,,0.0,,CID1078539,Cc1cccc(-n2ncc3c(N4CCC5(CC4)OCCO5)ncnc32)c1
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+0.0,,,,,,,,,,,,0.0,,,,,CID5308738,COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SC)cc1
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+,,,,0.0,,,,,,,,,,,,,CID2951536,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID6505666,CCOC(=O)C(=O)/C=C1\NC=C(C(F)(F)F)C=C1Cl
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+,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID666532,COc1ccc2nc(SCC(=O)Nc3ccccc3C#N)[nH]c2c1
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+,,,,,,,,,,,,,0.0,,,,CID739296,CC1(C)CC(=O)C(C2c3ccccc3Oc3ccccc32)C(=O)C1
+,,0.0,,,0.0,,,,,,,,,,,1.0,CID3239610,Cc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1
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+,,,,,,0.0,,,,,,,,,,,CID2999636,CC(c1nnc(SCC(=O)Nc2sccc2C#N)n1-c1ccc(Cl)cc1)N(C)C
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+,,,,,,,,,0.0,0.0,,,,,,,CID2228090,CS(=O)(=O)Nc1ccc(C(=O)NCCSC2CCCCC2)cc1
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+,,0.0,0.0,,,,,,,,0.0,,,,0.0,0.0,CID786651,O=S(=O)(c1cccc2cccnc12)n1cnc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID2545462,Cc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12
+0.0,,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,CID651327,COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCC3)cc2c1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID645148,CNC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(C)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID661834,N#Cc1ccc(-c2ccco2)nc1SCC(=O)c1ccc(Cl)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2999930,CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID821749,c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1
+,0.0,,,,,,,,,,,,,0.0,,,CID652667,CC(=O)c1sc2nc(=O)c(C)nn2c1C
+,,,,,,,,,,0.0,,,,,,,CID3161782,CSc1nc2nc3c(cn2n1)C(=O)CC(c1ccccc1)C3
+,,,,,,,,,,,,,0.0,,,,CID1175456,COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2ccccc2N2CCOCC2)c1
+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID875861,Cc1ccc(SCC(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3276508,Cc1ccc(C)n1-c1ncc(Br)cn1
+,,,,,,,0.0,,,,,0.0,,,,,CID5389948,CC1Cc2cc(/C(O)=C3\C(=O)C(=O)N(CCN4CCOCC4)C3c3ccccc3F)ccc2O1
+,,,,,,,,,,,,,0.0,,,,CID16189496,O=C(Nc1cccc(F)c1)N1CCCC(CNS(=O)(=O)Cc2ccccc2)C1
+0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0,CID2091613,O=C(CSc1ccccc1)Nc1ccccc1N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID2965581,COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccc(C)cc13)oc1ccccc12
+,,,,,,,0.0,,0.0,,,,,,,,CID1756838,O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccc2c(c1)OCO2
+,,,0.0,,,,,,,,,,,,,,CID5309643,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(C4CCCCC4)CC3)c(C)o2)c1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID655088,CCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2219262,CCOC(=O)CCS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID664530,COc1ccc2nc(SCC(N)=O)cc(C)c2c1
+0.0,,,,0.0,0.0,,,,0.0,,,,,,,,CID4145602,O=C(CSc1cn(CCNC(=O)c2ccccc2)c2ccccc12)NCc1ccco1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID658718,C=CCNc1nc(N2CCOCC2)c(C#N)c2c1CN(C)CC2
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID4151821,CCc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1
+,,,,,0.0,,,,,,,,,,,,CID5347867,COc1cccc(/C=N/N2CCN(Cc3ccc(Cl)cc3)CC2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID977303,Cc1cc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)no1
+,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,,CID656361,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3N)n2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID668490,Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccn2C)cc1
+0.0,,,,,,0.0,,,0.0,0.0,,,,,0.0,,CID647732,Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)c(C)c1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID663525,COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID1144952,COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID2323593,C=CCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)sc1=S
+0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID2207331,CCCCCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
+,,,,,,,,0.0,,,,,,0.0,,,CID2766676,CN(C)c1nc(Nc2ccccc2)c(C#N)c(=O)o1
+,,,,,,,0.0,,,,,,,,,,CID654794,CC1CCN(CCCNC(=O)c2cc3sccc3n2C)CC1
+,,,,,0.0,,,,,,,,,0.0,,,CID2764477,COc1ccc(C2=C(C#N)C(=O)OC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,0.0,CID646668,CN(C(=O)c1ccccc1)c1nc2ccccc2s1
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+0.0,,,,,0.0,0.0,,0.0,,,,,,,,,CID666147,Cc1cc(OCC(=O)Nc2cc(C)nn2-c2ccccn2)c2c3c(c(=O)oc2c1)CCC3
+,,,,,,,,,,,,0.0,,,0.0,,CID2219277,NCCCNC(=O)c1cc2ccccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID4153844,COc1ccc(CCN(Cc2ccccn2)C(=S)Nc2ccccc2C)cc1OC
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID763035,CCOC(=O)c1ccc2[nH]c(C(F)(F)F)nc(=O)c2c1
+,,,,,0.0,,,,,,,,,,,,CID1241200,CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CCN(C)C2
+,,,,,0.0,,,,,,,,,,,,CID2915466,Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccco3)c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID877265,COc1ccc(C(=O)Oc2cccc3c(OC)ccc(C=O)c23)cc1
+,,,,,,,,,0.0,,,,,,,,CID3155175,CC(CC(=O)Nc1nncs1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1490964,Cc1cccc(CSC2=CS(=O)(=O)c3ccccc3N2)c1
+,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,CID661142,CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1537240,O=c1c2c3c(sc2ncn1/N=C/c1cccnc1)CCCC3
+0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,CID2970368,O=C(Nc1ccon1)C(Sc1ccccc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2358127,COc1ccc(C(=O)COC(=O)c2cccnc2SC)cc1
+,,,,,,,,,,0.0,,,,,,,CID2507966,CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(=O)NC(=O)NC(C)(C)C)c1C
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+,,,,,,,,,,,0.0,,,,,,CID2860106,COc1ccc(NC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,0.0,CID646779,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccccc1
+,0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,,CID663581,COC(=O)C(NC(=O)Nc1ccc(C(C)=O)cc1)C(C)C
+,,,,,,,,,0.0,,,,,,,,CID1431905,CC(C)N(C(=O)CSc1nnc(CNc2ccc(F)cc2)o1)C(C)C
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3000085,CCc1nc2ccccc2n1CC(=O)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16195622,O=C(NCCCC1CN2C(=NCC2C2CCCCC2)N1CCc1ccc(Cl)c(Cl)c1)C1CCC1
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+,,,,,,,,,,,,,,0.0,,,CID1820354,COc1ccc(CN(C)Cc2ccccc2)c(OC)c1OC
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+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID846975,COc1ccc(S(=O)(=O)N2CCN(C)CC2)c2ccccc12
+,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,,CID2950220,CC(=O)c1cn(CC(=O)NCC2CCCO2)c2ccccc12
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+0.0,,,,0.0,,,0.0,,,,,,,,,,CID2371696,Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F
+0.0,,,,0.0,0.0,,,,,,,,,,0.0,0.0,CID653456,COc1cc(S(=O)(=O)N2CCCC3(CCCCC3)C2)ccc1-n1cnnn1
+,,0.0,,,,,,,,,,,,,0.0,,CID1257771,COc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1OC
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+,0.0,0.0,,,,,,,,,0.0,,,,0.0,0.0,CID2998290,Cc1csc(NC(=O)C2CCN(C(=O)CSc3nnc(C)n3Cc3ccccc3)CC2)n1
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+,,,,,0.0,,0.0,,,,,,,,,,CID3106028,CCOC(=O)c1[nH]c2ccc(OC)cc2c1/N=C/N(C)C
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+,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID762765,Cc1nc2cc(Cl)ccc2n1CCO
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+,0.0,,,,,,,,,,,,,,0.0,,CID3241325,O=C(CCS(=O)(=O)c1cccc2nonc12)N1CCCc2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID6404618,Cc1nnc(-c2ccccc2)nc1N(C)C
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+,0.0,,,,,,0.0,,,,,,,,,,CID5389444,CN1CCN(Cc2c(O)ccc3c2oc(=O)c2ccccc23)CC1
+0.0,,,,,,,,,,,,,,,,,CID895509,Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(F)cc3F)nc2n1
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+,,,,,,,,0.0,,,,,,,,,CID2460529,CCOc1ccc(-c2nc(CSc3nnc(N)s3)cs2)cc1OC
+,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,,,CID661627,COc1cc(C)nc(Nc2nc(C)c(C(C)=O)s2)n1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID1910563,Cc1cccc(OCC2=N/C(=C\N(C)C)C(=O)O2)c1
+,,,,,,,,,,,,,0.0,,,,CID2385932,O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID664350,CC(C)Cn1c(-c2cccs2)nc2nc3ccccc3nc21
+,,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID741973,CC1(C)CC(=O)c2sc(NC(=O)CN3CCOCC3)nc2C1
+0.0,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0,CID895500,COc1ccccc1C(=O)n1nc(-c2ccccc2)nc1N
+,,,,,,,,,0.0,,,,,,,,CID14399,CC(=O)NC(Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1313486,CCC(=O)N(c1ccc(C(=O)O)cc1)c1nc(-c2ccc(OC)cc2)c(C)s1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID2999015,Cc1ccc(S(=O)(=O)N2CCSC2c2ccco2)cc1
+0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,CID665931,COc1ccc(OC)c(C(=O)CSc2nc3ncccc3[nH]2)c1
+,,,,,0.0,,,,,,,,,,,,CID3857445,CCCCOc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
+,,,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,CID646210,c1ccc(CSc2nnc(-c3cccs3)o2)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID877833,Oc1cnc2ccccc2c1CN1CCOCC1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,CID712023,CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccccc1
+,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,0.0,CID1299220,C=CCn1c(SCC(=O)Nc2nccs2)nnc1-c1cc2cccc(OC)c2o1
+,,,,,,,,,0.0,,,,,,,,CID855817,CCOc1ccc(-c2nn[nH]n2)cc1OCC
+,,,,,,,,,0.0,,,,,0.0,,,CID1257683,Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCC5(CC4)OCCO5)c3n2)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID774798,Cc1ccoc1C(=O)Nc1ccc(CC(=O)O)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID3162309,Cc1c(C(=O)OCC2CCCO2)[nH]c2c1C(=O)CC(c1ccc(N(C)C)cc1)C2
+,,,,0.0,,0.0,,,,,,,,,,,CID2921433,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3C)cc2)c(OC)c1OC
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID661160,COC(=O)c1cc(Br)c(=O)n(CCC2=CCCCC2)c1
+,,,,,0.0,,,,,,,,,,0.0,,CID3242055,COC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID3240581,CCCN(CCC)CCNC(=O)C1CCN(Cc2nc(-c3ccc(Cl)cc3)oc2C)CC1
+,0.0,,,,,,,,,,0.0,,0.0,,,,CID617614,CC1(C)CC(=O)c2c(nc3ccccc3c2N)C1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID2949213,COc1ccccc1-c1cn[nH]c(=S)n1
+,,,,,,,,,,,,,,0.0,,,CID2252810,O=C(/C=C/Nc1ccc(F)cc1Br)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1262928,Cn1c(=O)c(NCCc2ccccc2)c2c3c(cccc31)C(=O)c1ccccc1-2
+,,,0.0,,,,,,,0.0,,0.0,,,,,CID3237017,C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1F
+,,,,,,,,,,,,,,,,0.0,CID3239700,COC(=O)Nc1ccc(S(=O)(=O)N(CCO)CC(F)(F)C(F)F)cc1
+,,,,,,,,,0.0,,,,,,,,CID2969276,O=C(CSCc1c(F)cccc1Cl)NCC1CCCO1
+,0.0,,,,,,,,,0.0,,,,,,,CID5308777,Cc1ccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)cc1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2198048,Cc1ccc(S(=O)(=O)NC(C)(C)CSc2nnc(N)s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID12005427,CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1
+,,,,,,,0.0,0.0,,,,,,,,,CID657823,Cc1cc(C)n(C(=O)CN2C(=O)CCC2=O)n1
+,,0.0,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,CID652392,CC(C)C(OC(=O)c1cccs1)C(=O)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1564281,Cc1ccccc1OCCCC(=O)NCc1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID1536979,COC(=O)c1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C
+,,,,,,,,,0.0,,,,,,,,CID1246932,COc1ccccc1C(=O)Nc1ccon1
+,,,,,,,,,,,,,,0.0,,,CID2112511,CC(NC(N)=O)C(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C
+0.0,,,,,,,,,,,,,,,,,CID1100799,Cc1c(Br)c(C(F)(F)F)nn1CC(=O)NCCN1CCOCC1
+,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,,,CID973411,O=C(Oc1ccccc1)c1cccc(COC(=O)c2cnccn2)c1
+,,,,,,,,,,0.0,,,,,,,CID6098488,Cc1ccc([N+](=O)[O-])cc1C1=C(c2ccccc2)N/C(=C2/C=CC(=O)C(O)=C2)N1
+,,,,,,,,,,,,,0.0,,,,CID880972,COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2339907,COc1ccccc1C(=O)CSc1n[nH]c(N)n1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID3239252,Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1
+,,,,,,,,0.0,,,,,,,,,CID9551461,CC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
+,,,,,0.0,,,,,,0.0,,,,,,CID4678870,O=C(Nc1nnc(C2CC2)s1)C1Cc2ccccc2CN1S(=O)(=O)c1ccccc1F
+,0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,,CID756669,c1ccc(CCNc2ncnc3nc[nH]c23)cc1
+,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID3236543,CCC(CC)C(=O)NCc1ccc2c(c1)cc(C)n2C
+0.0,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID1265764,CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)c(Cl)c1
+,,,,,,,,,0.0,,,,,,,0.0,CID663411,CCC(C)C(NC(=O)NCC1CCCO1)C(=O)OC
+,0.0,,,,,,,,,,,0.0,,,,,CID2945616,COCC(=O)N(C)C1(c2nnnn2CCOC(=O)Nc2cccc3ccccc23)CCCC1
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+,0.0,,0.0,,,,,,,,,,0.0,,,,CID657503,CCOc1c(C#N)c(C#N)c2nc(C)cc(C)n12
+,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,CID3242025,O=C(c1c[nH]c(=O)n(-c2ccccc2)c1=O)N1CCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID627326,Nc1ccc(Br)c2c1C(=O)c1ccccc1C2=O
+,,0.0,,,,,0.0,,,,,,,,,,CID5307928,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2274646,COCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1
+,,,,,,,,0.0,,,0.0,,,,,,CID1244195,CSc1ccccc1NC(=O)c1ccc(Br)s1
+,0.0,,,,0.0,,,,,0.0,,,,,,0.0,CID3235932,COc1cccc(CNC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID1004092,COc1ccc(-c2ccc3c(N)c(C(=O)c4cccc(OC)c4)sc3n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348495,COc1ccc(CC(=O)O/N=C(\N)c2cccnc2)cc1OC
+,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,CID951589,Cc1ccc(SCCC(=O)NCc2ccco2)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID649785,COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCCCC1
+,,,,,,,,,,,,,0.0,,,,CID3169075,Nc1cc(=O)nc(SCC(=O)NNC(=O)Cc2ccccc2)[nH]1
+0.0,,,,,,,,,,,,,,,0.0,,CID3238684,Cc1cc2c(cc(C(=O)NCc3cccnc3)n2Cc2ccc(Cl)cc2)o1
+,,,,,,0.0,,,0.0,,,,0.0,,,0.0,CID649013,O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1)NCc1ccco1
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+,,,,,,,,,,,,,0.0,,,,CID16011794,Cc1ccc(CNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID790158,COc1ccc(NC(=O)NC(C(F)(F)F)C(F)(F)F)cc1
+,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID2956276,CC(Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)OC2)C(=O)Nc1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1226424,CCn1ncc(/C=N/NC(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)c1C
+,,,,,,,,,,,,,,0.0,,,CID733309,COCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4615671,COc1cccc(CNC(=O)CCS(=O)(=O)c2cccs2)c1
+,,,,,,,,,,,,,,0.0,,,CID989289,CS(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)C1CCCCC1
+,,,,0.0,,,,0.0,,,,,,,,,CID3239947,CC1=C(C#N)C(c2ccoc2)C(C(=O)OCc2ccccc2)=C(N)S1
+,,,,,0.0,,,,,,,,,,,,CID3831824,O=C(c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)N1CCSCC1
+,,,,,,,,,,0.0,,,,0.0,,,CID2835852,CCN1C(=O)CS/C1=N\C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID2402620,CC(=O)c1ccc(O)c(CSc2nncn2C)c1
+,,,,,0.0,,,,,,,,,,,,CID3113007,O=C(NCC1CCCO1)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1
+,,,,,,,,,0.0,,0.0,,,,,,CID2113651,O=C1CN(CC(=O)Nc2ccc(Cl)cc2)CCN1
+0.0,,,,,,,,,,,,,,,,,CID666210,CCOCCn1c(CN2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID818645,O=C(Nc1ccccc1-c1ccccc1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,,0.0,,,CID891391,Cc1cc(=O)oc(C)c1C(=O)OCc1cccc([N+](=O)[O-])c1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID5308919,COc1ccc(-c2nc(CN3CCC(C(=O)N4CCc5ccccc54)CC3)c(C)o2)cc1OC
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID5667190,COc1ccc(CC(=O)/C(C#N)=C2/Nc3ccccc3S2)cc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID1085680,O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCc2ccccc2C1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID2903984,CC(=O)NC1C2CN3CCN(C2)CC1(Cc1ccccc1)C3
+,,,,,,,,,,,,,0.0,,,,CID2558233,O=C(Nc1nc2ccccc2[nH]1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,CID1205752,O=C(c1cccc(S(=O)(=O)N2CCCC2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID7196709,Nn1c(SCC(=O)N2CCCc3ccccc32)nncc1=O
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID660550,COc1cc(C)nc(Oc2ccc(=O)[nH]n2)n1
+,,,,,,0.0,,,,,,,,,0.0,,CID2610597,COc1ccc2nc(SCC(=O)NC(C)C)[nH]c2c1
+,,,,,,,,,,,,0.0,,,,,CID3238147,O=C(NCc1ccco1)c1cc2c(s1)CSC2
+,,,,,,,,,,,,,0.0,,,,CID6512678,CCc1ccc(OCC(=O)NN/C(C)=C2\C=CC(=O)C=C2O)cc1
+,,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID3240190,CCCCOC(=O)c1ccc(NC(=O)c2cnc3n(c2=O)CCS3)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID648150,CC(=O)C1=C(O)C(=O)N(CCC(=O)O)C1c1cccc(F)c1
+,,,,,,,0.0,,,,,,,0.0,,,CID658082,CC(=O)c1cc(C#N)c(SCc2ccncc2)nc1C
+,,,,,0.0,,0.0,,,,,,,,,,CID5742462,N#CC1=C2NC(=O)c3ccccc3N2C(c2ccccc2)C1=O
+,,,,,,,,,,0.0,,0.0,,,,,CID5309018,Cc1cccc(N(C)c2cc(C)nc3ncnn23)c1
+,,,,,,,,,,,,,,,,0.0,CID2957778,CCC1CCCCN1C(=O)Nc1ccc(F)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID880543,CN1C(=O)C(=Cc2ccc(N3CCCCCC3)o2)C(=O)N(C)C1=S
+,,,,,,,,0.0,,,,,,,,,CID2836732,CC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID2094230,Cc1ccc(C)c(S(=O)(=O)N/N=C/c2ccc(C(=O)O)cc2)c1
+0.0,0.0,,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,CID829354,Cc1sc2nc(SCC(=O)N3CCCC3)[nH]c(=O)c2c1C
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID661706,CCn1c(O)c(C(=O)CC2NCCc3ccccc32)c(=O)n(CC)c1=S
+,,,,,,,,,,,0.0,,,,,0.0,CID2532761,CCOc1ncccc1C(=O)NCC1(N2CCOCC2)CCCCC1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244988,COCCNC(=O)CCn1nc(-c2ccc(Cl)cc2)ccc1=O
+0.0,,0.0,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,CID724183,CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID618382,CCOC(=O)c1c(-n2cccc2)sc2c1CCCC2=O
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3129054,Cc1ccc(OCC(=O)NC2CCS(=O)(=O)C2)cc1
+0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,CID663652,COc1ccc(N2CCN(c3oc(-c4ccccc4OC)nc3C#N)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5346336,CCOC(=O)C1=C(C)N=c2s/c(=C\c3sccc3C)c(=O)n2C1c1cccs1
+,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,CID2165258,CCCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3287222,O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc(O)c(-c3ccccc3)cc2o1
+,,,,,,0.0,,,0.0,,,,,,,,CID652626,Cc1cc(-c2nnc(SCC(=O)N3C(C)CCCC3C)o2)no1
+,,,,,,,,,,,,,,0.0,,,CID698057,Cc1cc(C)c(C#N)c(N2CCOCC2)n1
+,,,,,,,,0.0,,,,,,,0.0,,CID666312,O=C(Nc1nc2c(Cl)cccc2s1)c1ccc(Br)o1
+,,,,,,,,,,,0.0,,0.0,,,,CID3775786,Cc1cccc(Oc2ncnc3oc(-c4ccccc4)cc23)c1C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID644825,COc1nonc1NC(=O)CSc1nc2ccccc2[nH]1
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID1248524,COc1cccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)c1
+,,,,,0.0,,,,,,,,,,,,CID2883785,Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(Cl)cc3)C2)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID5389837,CC1(C)c2ccccc2N2CCC(=O)NC21/C=C/c1ccco1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1336425,COc1ccc(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1993878,CCn1c(SCc2ccccc2Cl)nc2nc3c(cc2c1=O)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID2234469,COc1ccccc1NC(=O)CN1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1015567,COc1ccc(CC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID3237184,COc1ccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1373012,O=C(c1ccc(C#CC2(O)CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4276255,CCNC(=O)NC(=O)C(C)On1nnc2ccc(S(=O)(=O)N(CC)CC)cc21
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID5707,Cc1cccc(C)c1NC1=NCCCS1
+,0.0,,,,0.0,0.0,,0.0,,,,,,,,,CID804969,CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12
+,,0.0,,,,0.0,,,,,,,,,,,CID645643,CC(C)n1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,,,,,,,0.0,,,0.0,,,,,,CID1250310,Cc1cccc(-c2noc(CN(C(=O)CCc3ccccc3)C(C)C)n2)c1
+,,,,,,,,,,,,,0.0,,,,CID786140,COc1ccc(OC)c(/C=N/NC(=O)CN2CCSCC2)c1
+,,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,CID663479,CCOC(=O)C1CCCN(c2ncnc3c2[nH]c2cccc(OC)c23)C1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID667400,Cc1cc2oc(=O)cc(CN3CCCCC3C)c2c(C)c1Cl
+,,0.0,,,,,,,,,,,,,,,CID658088,CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)C(c4ccsc4)C3C1CC2
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID2546259,COc1ccc(C)cc1-n1nnnc1SCn1nnc2ccccc2c1=O
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+0.0,0.0,,,,,,,0.0,,,,,,,0.0,0.0,CID3238470,CCOc1ccc(CNC(=O)C2CCC(=O)N2C2CCCC2)cc1OC
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+,,,,,,,,,,0.0,,,,,,,CID705509,COc1c(C(C)C)cc(NC(C)=O)cc1C(C)C
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+,,,,,0.0,,,,,,,,,,,,CID16179,c1ccc(Cc2nc3ccccc3o2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID665761,CC(C)(C)C1=Nn2c(nnc2-c2n[nH]c3c2CCC3)SC1
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+,,,,,,,,,,,,,0.0,,,,CID2116662,Cc1noc(C)c1COC(=O)/C=C/c1ccccc1Cl
+,0.0,0.0,,,,,,,,0.0,,,,0.0,,,CID659882,c1cncc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID647214,COc1ccc(NC(=O)Cn2nnc(-c3ccc(CN4CCOCC4)cc3)n2)c(OC)c1
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+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID664503,COc1cc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc(OC)c1OC
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+,,,,,,,,,,,0.0,,,,,,CID1213602,COc1cccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID3746730,N#Cc1cc(-c2ccccc2)cnc1Sc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID562133,O=C(CCSCCC(=O)NCc1ccccc1)NCc1ccccc1
+,,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0,CID715689,CCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
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+,0.0,0.0,,,,,,,,,,,,,,,CID5105630,COc1cccc(C(=O)NCc2nnc(SCC(=O)Nc3nccs3)n2-c2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2500369,COc1ccc(C(C)=O)cc1COc1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID2158045,CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cccs1
+0.0,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID3240100,CCOC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID706390,C=CCn1c(=N)c(C(=O)OCC)cc2c(=O)n3cc(C)ccc3nc21
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+,,,,,0.0,,,,,,,,,,0.0,0.0,CID651819,Cc1cccc(-n2c(SCC(=O)Nc3nnc(C)s3)nnc2-c2ccoc2C)c1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID665509,CCc1nc(SCC(=O)Nc2nccs2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,,0.0,0.0,,CID618745,O=c1c2c3c(sc2nc2n1CCCC2)CCC3
+,,,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,CID3241424,CCOC(=O)C1CCCN(C(=O)c2cc(Nc3ccc(OC)c(OC)c3)nc3ccccc23)C1
+,,,0.0,,,,0.0,,,,,,,,,,CID650872,COC(=O)c1ccccc1NC(=O)CN1C(=O)CSC1=O
+,,,,,,,,,,0.0,0.0,,,,,,CID1473313,O=C1NC2(CCCCC2)NN1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2079757,COc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCC(C)C)ccc1F
+,0.0,0.0,,,,,0.0,0.0,,,,,,,,,CID3242905,Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID1165925,COc1ccc(OC)c(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)c1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID2997722,O=C(NC1=NCCS1)C1Cc2ccccc2CN1C(=O)c1ccccc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3979329,CCOCCCNC(=O)C(NC(=O)c1cnccn1)c1ccc(C)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2202945,O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCCc2ccccc21
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID2971106,CCOc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550879,O=C(CCc1nc(-c2cccs2)no1)NCc1ccc(F)cc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID1400297,COc1ccc(-c2nnc(NC(=O)CSc3ccc(Cl)cc3)s2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2301916,COc1ccc(CNC(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID665489,O=C1CC(c2ccco2)Cc2nc(Nc3ccc(F)cc3)ncc21
+0.0,,,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,CID915757,O=c1nc2n(c(O)c1C/C=C/c1ccccc1)CCCS2
+,,,,,,,,0.0,,,0.0,,,,,,CID604548,COc1ccccc1NC(=O)c1nn(C)cc1Br
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID3238624,CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1924999,N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2434031,O=C(CSc1cccc[n+]1[O-])c1ccccc1Br
+,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,,CID2386874,CCOc1ncccc1C(=O)OCC(=O)NCCc1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID1550899,O=C(O)/C=C\C(=O)NCc1cccnc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3240610,O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccs2)on1
+,,,,,0.0,,,,,,0.0,,,,,,CID4296681,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1
+,0.0,,,,0.0,,,,,,,,,,,,CID658773,CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(C)cc23)C1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID881067,CC(=O)Nc1cc(NC(=O)CCCC(=O)O)ccc1Cl
+,,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID3237334,COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C1=O
+,,0.0,,0.0,,,,,,,,,,,,,CID667312,Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2cc(C)ccc2C)C1=O
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1564857,Cc1ccc(OCCCC(=O)Nc2nccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1363311,COc1ccc(Br)cc1/C=C/C(=O)Nc1c(C)cccc1C
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID2099355,COC(=O)c1cc(COC(=O)c2ccc3ccccc3n2)oc1C
+,,,,,,,,,,,,,,0.0,,,CID785602,Cc1ccc(S(=O)(=O)n2c(=O)oc3ccccc32)cc1
+,,,0.0,,,,0.0,,,,,,,0.0,,,CID3241976,COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1182910,CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccc(Cl)cc2)c1C
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID658080,N#Cc1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3
+,,,,,,,0.0,,,,,,,,,,CID658777,CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)CN1CCc2cc(OC)c(OC)cc2C1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID895839,COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1OC
+,,,,0.0,,,0.0,0.0,,0.0,,,,,,,CID3241444,CCOc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OCC
+,,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,,,,CID2365321,CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccsc1
+,,,,,,,,0.0,,,,,,,,,CID658930,COc1cc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc(OC)c1OC
+,0.0,,,0.0,,,,,,,,,,,,,CID889337,CN(C)c1nc(Oc2ccc(=O)[nH]n2)nc(N2CCCCC2)n1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID650639,CCn1c(SCC(=O)c2cc(OC)ccc2OC)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID3237916,CCn1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2cc(OC)c(OC)cc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2889544,COc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID664093,CC(C)CC(NC(=O)N1CCN(c2ccccc2)CC1)C(=O)O
+0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,CID2598352,CN(C)S(=O)(=O)c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID780902,N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1523976,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2cc(Cl)ccc2Cl)o1
+,,,,,0.0,0.0,,,0.0,,,,,0.0,,0.0,CID2299882,CCOc1cccc(OCCCCN2CCOCC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1135781,O=C(NC1CCC(c2ccccc2)CC1)c1cccnc1
+,,,,,,,,,,,,,,,,0.0,CID3240235,CC12CCCCC1c1ccccc1C(NCC(=O)O)=N2
+,,,,,,,,,,,,,,0.0,,,CID3335609,CCc1nc(Cl)c(C#N)c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1094049,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCc5ccccc5C4)c3n2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID1306818,CCn1c(CNC(=O)c2ccc3c(c2)OCO3)nnc1SCC(=O)Nc1cc(C)ccc1OC
+0.0,,,,,,,,,,,,,,,,,CID3245317,CCc1nn(CCCC(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12
+,,,,,,,,,,,0.0,,,,,,CID4531204,O=C(CCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCc2ccccc2C1
+,,,,,,,,,0.0,,0.0,,,,,,CID951154,Cc1ccc(C(=O)c2oc3nc(C)cc(C)c3c2N)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID2893479,O=C(c1cccs1)N1CCCC(c2ccccc2)C1
+,0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0,CID743014,O=C(CCCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
+,,,0.0,,,0.0,,,0.0,,,,0.0,,,,CID845171,Cc1cc(NC(=O)CSC2=NCCS2)no1
+,,,,,,,,,,,,,0.0,0.0,,,CID934665,Cc1ccc(-c2n[nH]c(=S)n2Cc2ccccc2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID5336380,CCOc1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc(OCC)c1OCC
+,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID961729,COC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
+,,,,,0.0,,,,,0.0,,,,,0.0,,CID2174342,CCCCOC(=O)c1ccc(NC(=O)CSCc2nc(=O)[nH][nH]2)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2838365,CN1CCC(N(C)Cc2cccnc2)CC1
+,,,,0.0,,,,0.0,,,,,,,,,CID266964,OCC1(CO)COC2(CCCC2)N1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID664727,CCOc1ccc(NC(=O)CC2CC(C)(C)OC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID794782,CC1CCN(c2nc3ccccn3c(=O)c2C=O)CC1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID1266786,CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID5389234,N#[N+]/C=C(\[O-])CNC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID3218755,Cc1cccc(C(=O)NC2CCN(C(=S)NCc3ccco3)CC2)c1
+,0.0,,,,,,,,,,,,,,,,CID3245039,CCOc1ccc(NC(=O)c2nnn(CC(=O)Nc3ccccc3OCC)c2N)cc1
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,,,CID2562743,C=CCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12
+,,,,,,,,,,,,,0.0,,,,CID1236376,O=C(Cn1cnc2ccc(Br)cc2c1=O)c1cccs1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID5070178,Cc1ccnc(SCCn2c(N3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)n1
+,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,,CID665069,CC(C)Cn1nc(NC(=O)C2CCCO2)c2cc3ccccc3nc21
+,,,,,,,,,,0.0,,,,,,,CID5308979,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(c2ccccn2)CC1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID663781,COC(=O)C(CCSC)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,,,,,,,,,0.0,,,,,CID4457834,COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccncc4)cc3)no2)cc1OC
+,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID3241698,Cc1ccc(-n2c(SCC(=O)NCC3CCCO3)nc3c(c2=O)SCC3)cc1
+,,,,,,,,,0.0,,,,,,,,CID3118740,CN(C)c1ccc(C(=O)NCC2CCCO2)cc1
+0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,CID653183,COC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C
+,,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID648090,Nc1cccc(C(=O)Nc2ccco2)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID3236676,COCCn1c(=O)[nH]c2cc(C(=O)NCCN3CCN(c4ccc(OC)cc4)CC3)ccc2c1=O
+,0.0,,,,,,,,0.0,,0.0,,,,,,CID650166,OC1(c2ccccc2F)CCN(Cc2nnnn2CCc2ccccc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID845228,Cc1ccc(OCc2nc(-c3ccccn3)no2)cc1
+,,,,,,,0.0,,,,,,0.0,,,,CID2945340,Nc1ccccc1NC1=CC(=O)CC(c2ccco2)C1
+,,,,,,,,,,,,,,0.0,,,CID1204060,COc1ccc(/C=C/C(=O)Nn2cnnc2)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID5339634,CCc1ccc(O)c(N/C=C2\C=CC=CC2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID5742559,CC1=CC(Oc2ccc(C)cc2)=N/C(=C2\C=CC=CC2=O)N1
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID665070,CNC(=O)c1nnn(-c2ccccc2)c1C(=O)NC
+,,0.0,,,,,,,,0.0,,,,,,,CID655180,O=C(Cc1cccs1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2379803,CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CSc2ncn[nH]2)nc1C
+,,,,,,,,,,,,,,0.0,,,CID2953495,O=C(CNC(=O)c1ccccc1)NCC(=O)OCc1ccccc1Cl
+0.0,,,,,,,,,,0.0,,,,,,,CID304906,O=C(CC1(O)C(=O)Nc2ccc(Br)cc21)c1ccc2c(c1)OCO2
+0.0,,,,,,,0.0,,,,,,,0.0,0.0,,CID615598,CC1CCCCN1C(=O)c1ccc(C(=O)N2CCCCC2C)cc1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID657998,Cc1cc(O)cc(O)c1C(=O)Cc1cscn1
+,,,,,0.0,,,,,,,,,,,,CID2926312,Cc1ccc(C(=O)C(OC(=O)COc2ccccc2C)c2ccccc2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID3192804,O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID4105697,COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)c(OC)c1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID2984759,Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID2297013,C=CCSC1=N/C(=C\c2cc(OC)c3c(c2)OCO3)C(=O)S1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID3240220,CCOC(=O)c1sc(=S)n(-c2cccc(OC)c2)c1N
+,,,,,,,,,,,,,,0.0,,,CID6231,C#CC1(O)CCC2C3CCC4=C(CCC(=O)C4)C3CCC21C
+,,,,,,,,,,0.0,,,,,,,CID3193699,CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID976575,Fc1cccc(NC(=S)Nc2ccc(Br)cc2)c1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID2913853,CCOC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1
+0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,,,CID650339,Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2192753,O=C(NCc1ccccc1)c1cccc(COc2ccc3c(c2)CCC3)c1
+,,,,,0.0,,,,,,,,,,,,CID2854583,CC(=O)c1ccc(NC2=C(N3CCOCC3)C(=O)c3ccccc3C2=O)cc1
+0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,,CID756433,CC(C)Sc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1
+,,,,,,,,,0.0,,,,,,,,CID2918010,O=C1NC(c2ccncc2)C(C(=O)c2cccs2)C(O)(C(F)(F)F)N1
+,,,,,,,,,,0.0,,,,,,,CID1325905,O=S(=O)(Nc1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2843210,Cc1cc(C)c(S(=O)(=O)NCCCn2ccnc2)c(C)c1
+,,,,,,,,,0.0,,,,,,,,CID663480,CN(C)CCSc1nc(N)c2c3c(sc2n1)COC(C)(C)C3
+,,,,,,,,,,,0.0,,,,,,CID1150820,Cc1cccc(OCC(=O)Nc2ccc(C(=O)NCc3cccnc3)cc2)c1
+,0.0,,0.0,,,,,0.0,,,,,,,,0.0,CID648235,Cc1ccc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)cc1C
+,,,0.0,,,,,,,,,,,,,,CID3238994,O=C(Cn1cccc1)Nc1ccc(F)cc1F
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,CID2214676,Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)c1
+,,,0.0,,,0.0,,,,,,,,,,,CID5308364,COc1ccc(NC(=O)c2cc3ccccn3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2842220,CC12CCCCC1N(O)C(=O)C(=O)N2O
+,,,,0.0,,,,,,,,,,,,,CID2954907,CC(NS(=O)(=O)c1ccc(CCC(=O)N2CCN(C)CC2)cc1)c1ccccc1
+0.0,,,,,,,,,,,,,,,,0.0,CID5309383,O=C(c1cc(-c2cccs2)on1)N1CCCc2ccccc21
+,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,0.0,CID773031,COc1ccc(OC)c(NC=C2C(=O)CC(C)(C)CC2=O)c1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2999998,O=C1NC(CCc2ccccc2)C(=O)N1Cc1nnc(-c2ccccc2Br)o1
+0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID1247740,O=C(Nc1nnc(-c2ccccc2Cl)o1)c1ccco1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID2999766,COc1ccc(CCNC(=O)CC2Nc3ccccc3NC2=O)cc1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID3243592,Cc1ccccc1CN1CCCNC1=O
+,,,,,,,,,0.0,,,,,,,,CID3245493,CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)N3CCC4(CC3)OCCO4)CC2)C1
+,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,CID646212,CCC(C)OC(=O)n1ccc(C(=O)Nc2nccs2)n1
+,,,0.0,,,,,0.0,,,,,,,,,CID646126,O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2c(s1)CCCC2
+,0.0,,,,0.0,0.0,,,,,,,,,0.0,,CID3238193,Cc1ccc(CS(=O)(=O)CCC(=O)NCCCN2CCCC2=O)cc1
+,,,,,,0.0,,,0.0,,,,,,,0.0,CID659854,COC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID3241236,O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)N1CCCC1
+,,,,,,,0.0,,,,,,,,,,CID5389602,C=CCN1C(=O)NC(=O)/C(=C(/CC)NCc2cccnc2)C1=O
+,,0.0,,,,,,,,,,,,,,,CID5310583,CCOc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1
+,,,,0.0,,,,,,,,,,0.0,0.0,,CID645640,COC(=O)c1ccc(C(=O)Nc2ccc(N)cc2N)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID3244379,Cc1c(C(=O)NCc2ccccc2)oc2c1C(=O)CCC2
+,,,0.0,0.0,,,,,0.0,,,0.0,,,,,CID1262772,COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID4215541,Cc1cccc(CN2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1
+,,,,,,,,,0.0,,,,,,,,CID9550795,Cc1ccc(CSCC(Nc2ccc(C(=O)O)cc2[N+](=O)[O-])C(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID3135461,Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID3240576,COc1ccc(-n2[nH]c(C)cc2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3209096,CCC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(C2CCCC2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2896073,O=C(Nc1ccc(F)cc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID759769,Cc1nc(CN2CCC/C2=N\C#N)n(-c2ccccc2)n1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID848256,O=C(Nc1cccc2c1CCCC2)c1ccc(Br)o1
+,,,,,0.0,,,,,,,,,,,,CID5348500,CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccc(OC2CSC2)c1
+,,,,,,,,,,1.0,0.0,,,,,,CID2918174,CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID1350243,O=C(Nc1ccc(Cl)cc1)O/N=C(/c1ccccc1)c1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID1788068,C#CCOC(=O)c1ccccc1C(=O)O
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID2333074,CCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O
+,,,,,,,,,,,,0.0,,,,0.0,CID867819,Cc1oncc1C(=S)Nc1ccccc1
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID2941060,Cc1ccc(C)n1-c1ccc(N2CCOCC2)nc1
+,,,,,,0.0,,,,,,,,,,,CID98928,CC(=O)N1CSCC1C(=O)O
+,0.0,,,,0.0,,,,,,,,,,,,CID5310915,N#CC(C(=O)CN1C(=O)c2ccccc2C1=O)=C1Nc2ccccc2N1
+,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,,,CID2095288,O=C(CN1C(=O)NC2(CCCC2)C1=O)Nc1nc(-c2ccc(F)cc2)cs1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID4196703,CCOC(=O)C(CC)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1
+,,,,,,,,,,,,,,0.0,,,CID2886565,COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID4695257,CC(OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1)c1ccccn1
+,,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID877399,N#Cc1ccccc1CSc1nc(O)cc(=O)[nH]1
+,,,,,,0.0,,,,0.0,0.0,,,,,0.0,CID2392213,CCOC(=O)c1sc(NC(=O)C2CC2)nc1C
+,,,,,,0.0,,,,,,,,,,,CID1244098,O=C(Nc1c(F)cc(F)cc1Br)c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID1289925,Cc1cccc2sc(NC(=O)CSc3nc4ccccc4o3)nc12
+,,0.0,,,,,0.0,,,,,,,,,,CID645161,O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccs1
+,,,,,,,,0.0,,,,,0.0,,,,CID843094,Cc1nc(NC(=O)c2ccc(Br)o2)sc1C
+,,,,0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID2963572,CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1cccnc1
+,0.0,,,,,,,,,,,,,,,0.0,CID3243085,O=S(=O)(NCc1ccccc1Cl)c1cnc[nH]1
+,,0.0,,,0.0,,,,,,,,,,,,CID5389378,O=C1C(=O)N(CCN2CCOCC2)C(c2ccccn2)/C1=C(/O)c1ccccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID5333112,O=C(/C=C/c1ccccc1Cl)NCc1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID947086,COc1ccc(-c2c(C#N)c(C)nc3c2C(=O)c2ccccc2-3)cc1
+0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,CID3242418,COc1cccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)c1
+,,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID3238282,CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
+0.0,0.0,,,,,,0.0,,,0.0,,,,,0.0,,CID654697,CCCOc1ccc(CSc2nnc(CCC)n2N)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID2873767,O=C(O)c1cccnc1SC1CC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
+,,,0.0,,,0.0,,,,,,0.0,,0.0,,,CID658384,CC1(C)C2CCC13CS(=O)(=O)NC3C2
+,,,,,,,,,,,0.0,,,,,,CID2462742,COc1cc(-c2nnc(COC(=O)c3c4c(nc5ccccc35)CCCC4)o2)cc(OC)c1OC
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID571251,N#Cc1c(-c2ccco2)cc(C2CC2)nc1SCC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2268032,COc1cc(/C=C2/SC(=S)NC2=O)ccc1OS(=O)(=O)c1ccc(C)cc1
+,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,CID1245729,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc4c(c3)OCO4)cc2)no1
+,,,,,,,,,,,,,,0.0,,,CID2310767,Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3Cl)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID779818,O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID800559,Cc1c(Cl)cccc1NC(=S)N1CCOCC1
+,,,0.0,,,,,,,,,,,,,,CID664147,Cc1nc(SCC(=O)c2ccccc2)c(C#N)c(-c2ccco2)c1C(=O)NCc1ccco1
+,,,,,0.0,,,,,,,,0.0,,,,CID1640573,Cc1c(N2C(=O)/C(=C/c3ccccc3)SC2=S)c(=O)n(-c2ccccc2)n1C
+,,,,0.0,,,,0.0,,,,,,,0.0,0.0,CID3238118,COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)o2)cc1OC
+0.0,,0.0,,0.0,,,,,0.0,,,,,,,,CID3245517,Fc1cccc2sc(Nc3nnc(-c4ccco4)o3)nc12
+,,,,,0.0,,,,,0.0,,,,,,0.0,CID2998411,Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1CCC(=O)N1
+,,,,,,,,,,,,,0.0,,,,CID16188204,O=C(NC1CC1)C1CCN(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)CC1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID752709,Brc1ccc(-c2nc(-c3ccccn3)no2)o1
+,,0.0,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,CID659894,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)c1C
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID5742517,C/N=c1\scc(C)n1N/C=C1\C=CC(=O)C=C1O
+,,,,,,,,,,,,,0.0,,,,CID2062636,CC(=O)NC(=S)NNC(=O)CCc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID650271,NC(=O)CN1C2CCC1CC(NC(=O)C1CC1)C2
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID649128,c1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccccn6)nc5c4)ccc3o2)nc1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,0.0,CID294983,O=C(O)C1CCCCC1C(=O)Nc1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID652228,O=C(NC1CCCCC1NC(=O)c1ccco1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID3243134,Cc1nnc(NC(=O)NC(C)N2C(=O)C3C4C=CC(C4)C3C2=O)s1
+,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID1582522,Cc1cc(=S)cc(C)n1CCCO
+,,,,,,,,,0.0,,,,,,,,CID5740505,CCOC(=O)C1=CC2=NC(C)CC(C(F)(F)F)N2N1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID876892,O=C(Nc1cccnc1)c1ccccc1Oc1ccccc1
+,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,0.0,CID652131,Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,,0.0,0.0,CID654597,O=C(CSc1nnc(CNc2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1
+0.0,,,,,,,,,,,,,,,,,CID5307258,COc1ccccc1NC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,,,,,,,,0.0,0.0,,,,,,,CID2372644,CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID11958469,COCCNC(=O)c1onc(CSc2ccc(C)c(C)c2)c1C(=O)O
+,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0,,CID3238201,Cc1ncoc1C(=O)Nc1ccc2c(c1)OCCO2
+0.0,,0.0,,,,,,,0.0,,0.0,,,,,,CID2999472,O=C(Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O)N1CCc2ccccc21
+,,0.0,,,,0.0,,,,,,,,,,,CID2999626,O=C(CC1Sc2ccccc2NC1=O)OCC(=O)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID768290,O=C(N/N=C/c1ccco1)c1ccn[nH]1
+,,,,,0.0,,,,,0.0,,,,,,,CID651261,COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)cc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID978069,N#C/C(=C\c1ccc(O)c(O)c1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID921340,CCOc1ccc(N(C(=O)Nc2ccccc2)C2=NCCC2)cc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2215090,CSc1nc(-c2ccccc2)ccc1C(N)=O
+,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,CID870915,CC(C)c1ccccc1NC(=O)c1cnccn1
+0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,CID646014,CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCc3ccccc3C2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID3578825,CCCCCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C
+,,,,,,,,0.0,,,0.0,0.0,,,,,CID651885,CCN(CC)C(=O)N1CCC(NC(=O)Cc2ccccc2)CC1
+,,,,,,,0.0,,,,,0.0,,,,,CID5768983,Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C2c2cccnc2)c1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID5307702,COCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
+,,,0.0,,,,,,0.0,,,,0.0,,0.0,,CID1223030,CCOc1ccc(OCc2ccc(C(=O)Nc3ccc(Cl)cn3)o2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID5307386,Cc1cc(Nc2ccccc2F)n2ncnc2n1
+,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,CID3238493,COc1ccc(CNC(=O)c2cc(-c3ccco3)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2451345,Cc1ccc(-n2nc(C)c(/C=N/NC(=O)c3cccnc3)c2Cl)cc1
+,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,CID655910,CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC(C)C)s1
+,,,,,,,,,,,,,0.0,,,,CID1037166,CCc1c([O-])n(-c2ccc(Cl)cc2)c2ccc(-c3ccccc3)n[n+]2c1=O
+,0.0,,0.0,,,0.0,,,,,,,0.0,,,,CID1227314,COCc1cc(=O)n2c(-c3ccc(C)cc3)n[nH]c2n1
+,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,,CID2236395,CN1CCN(S(=O)(=O)c2ccc(Sc3nc4ccccc4[nH]3)c3nsnc23)CC1
+,,,,,,,,,0.0,,,,,,,,CID713405,COc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3O)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3176069,CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID2910886,Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)(C)C)cc2)s1
+,,,,,,,,,,,,,,,,0.0,CID648936,CS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N
+,,,,,,,,,0.0,,,,,,,,CID4605631,CCOC(=O)C1CCN(C(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)CC1
+,,,,,,,,,,,0.0,,,,,0.0,CID5310845,CC(C)=CCC/C(C)=C/CC/C(C)=N/O
+,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,CID665312,O=C(NCc1cccs1)C1CSC2c3ccccc3C(=O)N12
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID2187236,Cc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1
+,,,,,0.0,,0.0,,,,,,,,,,CID5309112,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4F)CC3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3242641,CCOC(=O)Cn1c(=O)n(C2CCCC2)c(=O)c2ccccc21
+,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,CID1262705,CN(C)S(=O)(=O)c1ccc(C(=O)Oc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2856957,COc1ccc(CCN2C(=O)C3C(C2=O)C2C=CC3C23CC3)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID1224540,Cc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID973814,Cc1nn(C(=O)c2ccco2)c(C)c1CN1C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID2758835,O=C(O)CCC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID2767985,CCNC(=O)O/N=C(\C)c1sc(-c2ccccc2)nc1C
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID648383,Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccc(F)cc3)cc2c1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID654675,COc1cccc(C(=O)NC2CCSC2=O)c1
+,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,0.0,CID2216723,Cc1cc(=O)nc(SCCOc2ccc3c(c2)CCC3)[nH]1
+0.0,0.0,,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,CID1261363,Cc1ccc2nc(-c3ccccn3)cc(C(=O)NC3CCN(C)CC3)c2c1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID651346,COc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID878060,Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1ccccc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3243529,Cc1ccc(CN2C(=O)CCC2C(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,,0.0,,,CID16190806,COc1ccc(F)c(CN2CCC(N3CCC(C(=O)N4CCOCC4)CC3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID3684290,CCSc1nc2c(sc3ccccc32)c(=O)n1C(C)C
+,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,,CID5391089,Cc1cc(=O)oc2c(CN(C)Cc3ccccc3)c(O)ccc12
+,,,,,,0.0,0.0,,,,,,,,,,CID5307872,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(N)=O)cc1
+,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,CID666509,CCCc1cc(=O)n2[nH]c(CCc3ccccc3)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID982636,CN(c1cccc(NC(=O)COc2ccc(Cl)cc2Cl)c1)S(C)(=O)=O
+,,,,,,,,0.0,,,,,,,0.0,,CID651868,COc1cccc2cc(C(=O)Nc3cccc(C)n3)c(=O)oc12
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID712593,CCOC(=O)N1CCN(S(=O)(=O)c2cc(C)c(C)cc2C)CC1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID662532,O=C(NCCN1CCCCC1)c1ccc(=O)oc1
+,,,,,,,,,,,,,,0.0,,,CID2002453,Cn1cccc1/C=C1\SC(=O)N(c2ccc(O)cc2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID2228493,C=CCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1
+,,,,,,0.0,,,,,,,,,,,CID2228738,CC(C)(C)SCCNC(=O)c1ccc(NS(C)(=O)=O)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5308444,N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1
+,,,,,,,,,,,,0.0,,0.0,,,CID662273,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccc2c(c1)OCO2
+,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID657428,CC1=CC(C)C(COC(N)=O)(COC(N)=O)C(C)C1
+,,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID651228,Cc1ccc(-c2cc(C(=O)O)n[nH]2)o1
+,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID650616,Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCc2ccco2)Cc2ccc3c(c2)OCO3)cc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1225746,O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1
+,,0.0,,,,,,,,,,,,,,,CID657724,CC(C)Cc1nc(=O)[nH][nH]1
+,,,,,,,,,,,,,0.0,,,,CID1481954,CNC(=S)Nc1cccc2[nH]ncc12
+,,,,,0.0,,,,,,,,,,,,CID2599545,CCCCN1C(=O)c2ccc(C(=O)Nc3cccc(C)c3C)cc2C1=O
+,,,,,,,,,,,0.0,,,,,,CID3900177,Cc1ccccc1NC(=S)N(C)C1(c2ccccc2Cl)CCCCC1=O
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID1257433,Cc1nc2ccccc2c(=O)n1NS(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,0.0,CID780878,Nc1cc(-c2ccc(Br)cc2)[nH]n1
+0.0,,,0.0,,,0.0,,,,,,,0.0,,,0.0,CID646846,CN(C)c1ccc(CNCCC2(O)CCOC(C)(C)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4217744,COc1cc(Br)c(C(C)NC(=O)c2ccc(C)cc2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID717207,Cc1ccc(OCC(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID751001,N#Cc1nc(COc2ccccc2Cl)oc1N1CCCC1
+0.0,0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,0.0,CID652752,O=C(C1CC1)n1cc(C(=S)N2CCOCC2)c2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,,CID5389618,Cc1ccc(N2C(=O)NC(=O)/C(=C\NC3CCCCC3N)C2=O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID3880731,Cc1cc(NC(=O)CSc2nnc(C3CC3)n2N)c([N+](=O)[O-])cc1C
+,,,,,,,,,0.0,,0.0,,,,,,CID1186193,C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc(C)c(-c3ccccc3)c2c1=O
+,,,,,,,0.0,,,,,,,,,,CID2164349,COCCCNC(=O)c1cccc(C(=O)NCCCOC)c1
+,,,,,,,,,,,,,,0.0,,,CID16193980,COCCNC(=O)CCCn1c(=O)c2cc(OC)c(OC)cc2n(CC(=O)c2ccc(Cl)cc2)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2962183,Cc1cc(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)n(-c2ccccc2)n1
+,,,,,0.0,,,,0.0,,,,,,0.0,,CID647811,Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)C5CCC5)C4)nc2-3)c1
+,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,,CID2941819,Cc1ccccc1-c1nc2ccccc2c(=O)n1C1CCS(=O)(=O)C1
+,,,,,0.0,,,,,0.0,,,,,,,CID2929536,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID659429,CCCCCn1c(N2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID9551848,CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(CCCn4ccnc4)C3c3cccnc3)ccc2O1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID3237116,CC1CC(C)CN(C(=O)Cn2c(=O)n(CCCCC(=O)NC3CCCC3)c(=O)c3ccccc32)C1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID3241486,COc1ccc(C(=O)Nc2ccc(N3CCN(c4ccc(OC)cc4)CC3)c(C#N)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3136260,CN1C(=O)C(CC(=O)NCC2CCCCC2)S/C1=N\c1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID879026,O=C(O)CCC(=O)OCC1CCCCC1
+0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,CID1125223,O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID788273,Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C
+,,,,,0.0,,,,,,,,,,,,CID2927397,COc1cccc(C(c2c(O)n(C)c(SC)nc2=O)c2c(O)n(C)c(SC)nc2=O)c1
+,,,,,,,,,,,0.0,,,,,,CID1468210,Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccccc1Cl
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID3244581,Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(C)on2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID645420,O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID803039,Clc1ccc(OCCN2CCOCC2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID4058278,C/C(Cc1ccccc1)=N\NC(=O)CCCCCC(=O)N/N=C(\C)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5741652,Cc1cc2nc(/C(C#N)=C/c3ccncc3)[nH]c2cc1C
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID2214308,COc1ccc(NC(=O)CN2CCC(C)CC2)cc1
+,,0.0,,,0.0,0.0,,,,0.0,,,,,,,CID3235934,O=C(c1ccccc1)c1cccn1CC(=O)N1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3211142,CCOC(=O)CN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1cccnc1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID3236603,COC(=O)c1c[nH]n2c(=O)c(Cc3ccc(F)cc3)c(C)nc12
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID732439,O=C(NCc1ccco1)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID766540,O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccccn1)c1ccccn1
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID2954721,Cc1cnn(C(=S)NCC2CCCO2)c1
+,,,,,,,,,,,,,,0.0,,,CID1298255,O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccncc3)n2)nc1
+,,,,,,,,,,,,,,0.0,,,CID886038,CCCC(=O)Nc1ccc(Nc2ccccc2)cc1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,,,CID661710,COc1ccc2[nH]c(C)c(C(=O)CN3CCN(C(=O)c4ccco4)CC3)c2c1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID658488,O=S(=O)(NCCCCCNS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID645800,CCOC(=O)Cn1nnnc1C(C(C)C)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1
+0.0,0.0,,,,,,,,0.0,,,0.0,0.0,,,,CID1242876,COc1ccc(C(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID886103,Cc1ccccc1NC(=S)NCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID788411,Cc1ccc(C(=O)CNc2ccc(C)c(Cl)c2)cc1
+,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,CID3236703,CCOC(=O)c1c(C)c(C(=O)Nc2cc(OC)ccc2OC)c(C)n1CC
+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID2937188,O=C(O)C1CC=C(Cl)CC1C(=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID969672,CCC(=O)c1ccc(OC(=O)N(C)c2ccccc2)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID1259131,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nc(-c2ccccc2)no1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2019685,CC(=O)c1c(C(C)=O)c(C)n(CCCCn2c(C)c(C(C)=O)c(C(C)=O)c2C)c1C
+,,0.0,,0.0,,,,,,,,,,,,,CID2942992,CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)n2CC)c(C(=O)OCC)c1C
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID768476,O=C(O)CSc1cccc2cccc(C(=O)O)c12
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID2957806,COc1ccc(NC(=O)NC(C)c2ccncc2)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID5348533,CCc1cc2c3c(c(=O)oc2cc1O)CCCC3
+0.0,,,,,,,,,,,,,,,,0.0,CID1043227,O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br)N1CCCc2ccccc21
+,,,0.0,,,,0.0,0.0,,,0.0,,,,,,CID3235813,COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2ccco2)c(OC)c1
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID2404532,Cc1cccc(NC(=O)CSc2nnc(-c3cc(C)n(-c4ccccc4)c3C)o2)c1C
+,,,,0.0,0.0,0.0,,0.0,,,,,,,,,CID2547468,CC(=O)c1ccc(OCCCC(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID886422,Cc1ccc(C(=O)NC(=S)NCCN2CCOCC2)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID3239238,Cc1ccc(CCNC(=O)CN2C(=O)COc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID1013091,Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2959483,COc1ccc(CCN2CC(C(=O)O)CC2=O)cc1
+,,0.0,,,0.0,,,0.0,,,,,0.0,,,,CID5308976,CCC1CCCCN1CCCNC(=O)CC1Oc2ccccc2NC1=O
+,0.0,,0.0,,,,,,,,,,0.0,0.0,,,CID666389,O=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ncc21
+,,,,,,,0.0,,,,,,,,,,CID4607819,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cccc(C)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID3225065,CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O
+0.0,0.0,,,0.0,0.0,,,,,,,,,,0.0,,CID3241663,O=C(C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1)N1CCc2ccccc21
+,,0.0,,,,0.0,,,,,,,,,,,CID3238537,CCOC(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1484102,CCOC(=O)n1c(=O)n(Cc2ccc(F)cc2)c2ccccc21
+,,,0.0,,,,,,,,,0.0,,,,,CID5390013,CC1CN(S(=O)(=O)c2ccc(NC(=O)C3=C/C(=C4/C=CC=CC4=O)NN3)cc2)CC(C)O1
+,,,0.0,0.0,,,,,,,,,,,,,CID2185081,COc1ccc(NC(=O)CC(=O)Nc2ccc(OC)cc2OC)c(OC)c1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID658364,Brc1ccc2c(c1)C=Nc1c(ncnc1N1CCCCC1)O2
+,,,,,,,,,,,,,0.0,,,,CID1127189,COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID865845,CCn1c(CNc2ccc(C)cc2)nnc1SCC(N)=O
+,,,,,0.0,,,,,,,,,,,,CID3202486,O=C(NC1CCCC1)C(c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1
+0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID1244626,Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCN2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2432384,CCNC(=O)COC(=O)c1cc(=O)[nH]c2ccccc12
+,0.0,,,,,,,,,0.0,0.0,0.0,,,,,CID661949,c1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)nc1
+,,,0.0,,0.0,,,,,,,,,,,,CID5310157,CCN1C(SCCC(C)C)=NN/C1=C1\C=Nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1091621,CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2ccc(C#N)cc2F)CC1
+,,,,,,,,,,,,,,0.0,,,CID795666,Cc1cc(C(=O)OCC(=O)c2cccs2)c2ccccc2n1
+,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,CID654669,CCc1cccc(CC)c1N(COC)C(=O)Cn1c(C(C)O)nc2ccccc21
+,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,CID899002,COc1cccc(-n2cnc3scc(-c4cccs4)c3c2=O)c1
+,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID751895,Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2N)cc1
+,,,,,,,,0.0,,,,,,,,,CID930040,Clc1ccc(Cn2ncc3c(NCc4ccccc4)ncnc32)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID649886,Clc1cc2c(c(Cn3cnc4ccccc43)c1)OCOC2
+,0.0,,,,,,,,,,,,,,,,CID645367,COC(=O)C1(C)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21
+,,,,,,,,,,,,,0.0,,,,CID2284676,COc1ccc(OCCOc2ccccc2[N+](=O)[O-])cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID2964306,Cc1ccc(N2CC(C(=O)NCC3CCCO3)CC2=O)cc1Cl
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2243191,O=C(c1ccco1)n1nc(NCc2ccccc2)nc1NCc1ccccc1
+,,,,,,0.0,,,,,,0.0,,,,,CID652547,NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2305695,COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2964237,O=C(Nc1ccc(F)cc1)c1cccnc1N1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID1009542,CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID869831,CCOc1ccc(Nc2nc(-c3cccnc3)cs2)cc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID3243142,O=C(NCc1cccs1)c1csc2c1CCCCC2
+,,,,,,,,,,,,,,0.0,,,CID2769101,COC(=O)c1cc(C#N)c(NCc2ccc(Cl)cc2Cl)nc1C
+,,,,,,,,0.0,,0.0,,,,,,,CID1957527,COc1ccc(-c2noc(-c3ccccc3C(=O)N3CCOCC3)n2)cc1
+0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,CID667191,COc1cccc(C(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c1
+,,,0.0,,0.0,,,,,,0.0,,,,0.0,0.0,CID3238583,O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1)N1CCOCC1
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID720660,CCN1CCN(c2ncnc3ccc(Br)cc23)CC1
+,,,,,0.0,,,,,,,,,,,,CID761927,Cn1c(=O)n(Cc2ccccc2Cl)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID9550991,Cc1cc(C(=O)NCc2ccco2)on1
+,,,,,,,,,,,,,0.0,,,,CID2151990,CC1CCN(C(=O)COc2cccc3c2CCN(Cc2ccccc2)C3=O)CC1
+,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,0.0,,CID1317173,COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1OC
+,,,,,,0.0,,,,,0.0,,,,,,CID2164014,Cc1cccc(N2CCN(C(=O)CCCOc3ccccc3)CC2)c1C
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID2608043,C=CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1ccoc1C
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID646607,Cc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccco2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2106270,O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)NCc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID1017700,Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(-n2cnnc2)ccc1Cl
+,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,CID666251,CCN1CCN(c2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)CC1
+,,,,,,,,0.0,,,,,,,,,CID660235,CCCc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n2c(nc3ccccc32)c1C#N
+,,,,,,,0.0,,,,,,,,,0.0,CID2551561,CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)c2O1
+,,,,,,,,,,,,,0.0,,,,CID1373890,CCCC(=O)Nc1sc(C(=O)Nc2cccc(N)c2)c(C)c1C(=O)OC
+,,0.0,,,0.0,,,,,,,,,,,,CID657485,CC(C)(C)OC(=O)NCCC(=O)Oc1ccc2ccc(=O)oc2c1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID2235692,Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID645524,O=C(NCc1ccc(F)cc1)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,,,,,,,0.0,,,CID2884136,CC1=NN(C(=O)c2ccc(Br)cc2)C(O)(c2ccccc2)C1
+,,,,,,,0.0,,,,0.0,,,,,,CID664107,CCCCOCCCNC(=O)NC(CC(C)C)C(=O)O
+,,,,,,,,,0.0,,,,,,,,CID763436,COc1ccc(CC(=O)N2CCOCC2)cc1
+,0.0,,,,,,,0.0,,,,,,,0.0,0.0,CID2966709,C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(CO)NC(=O)c1ccccc1
+,,,,,0.0,0.0,,,,,,,,,,,CID5295074,CC1=CC2=c3ccccc3=NC(c3ccco3)N2N1
+,,,,,0.0,,,,,,,,,,,,CID5333448,CC1=NOC(=O)/C1=C/c1ccc(N(C)C)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2300990,C=CCOc1ccc(C(=O)NC2CCCCC2)cc1
+0.0,0.0,,,,,,,0.0,,,,,,,,,CID3245055,Cn1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)c2c3ccccc3n(C)c2c1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID3107942,CC(O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O
+,,,,,,,,,0.0,,,,,,,,CID3148061,CC(CC(=O)NCc1cccnc1)c1ccccc1
+0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,CID2548120,O=S(=O)(c1ccc(NCC2CCCCC2)nc1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID930575,O=C(NCCC1=CCCCC1)c1coc(=O)c(Br)c1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID974692,CCC(=O)Nc1ccccc1C(=O)NC1CCCCC1
+,,,,,,0.0,0.0,,,,0.0,,,,0.0,,CID873059,Cn1c(CNc2ccccc2O)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID605283,COc1ccccc1-c1nc(N)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5337517,CC1CCC/C(=N\NC(=O)Nc2ccccc2)C1
+,,,,,,,,,,,,,0.0,,,,CID2849269,Cc1ccnc(N/N=C/c2ccco2)n1
+0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,CID2919065,CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1sc2c(c1C#N)CCCC2
+,,,0.0,,,,0.0,,,,,,,,,,CID662491,CCOCCCNC(=O)NC12CC3CC(CC(C3)C1)C2
+0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,,CID655203,COc1cc(Cl)cc(NC(=O)CCN2CCN(C)CC2)c1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3240944,COc1ccc(-c2nc(CSCC(=O)NCc3ccco3)c(C)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2829153,CC(C)Cc1ccc(C(C)C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1
+,,,0.0,,,,,,,,,,,,,,CID707648,COc1cc(C)c(C(N)=O)c(OC)n1
+,,,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,CID652323,O=C(CN1C(=O)CSC1=O)Nc1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID757795,C=CCn1c(O)cc(=O)nc1SCc1ccccc1
+,,0.0,0.0,,,,,,,,,,0.0,,0.0,,CID654832,Cc1csc(NC(=O)c2c(O)n(CC(C)C)c3c(c2=O)CCCC3)n1
+,,,,,,,,,,,0.0,,,,,,CID1809696,Cc1ccccc1N(CC(=O)N/N=C/c1ccc(N(C)C)cc1)C(=O)c1ccccc1
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+,0.0,,,,,,,,,,0.0,,,,,,CID3238660,O=C(NCC1CCCO1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1
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+0.0,,,,,,,,,,,,,,,,,CID3240122,COc1ccc(CCNC(=O)c2nnn(CC(=O)Nc3ccccc3)c2N)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID4779873,O=C(Cn1c(CO)nc2ccccc21)Nc1ccccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID702897,CC1=CC(C)(C)N(C(=O)CSc2ncn[nH]2)c2ccc(C)cc21
+0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,CID2998026,CC(c1ccco1)N(C(=O)c1ccc(Cl)s1)c1ccccn1
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+,,,,,,,,,,,,,0.0,,,,CID1488921,Cc1ccc(-n2cnn(C)c2=S)cc1
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+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID909770,CC(C)(/C=N/O)/[N+]([O-])=C/c1ccco1
+0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,CID663535,COc1ccc(CCNc2oc(-c3ccc(OC)c(OC)c3)nc2C#N)cc1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID1376848,COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3237082,Cc1ccccc1NC(=O)Nc1cccs1
+0.0,,,0.0,,,,,,,,,,,0.0,,,CID660806,CCCCn1c(-c2ccc(Cl)cc2)nc2c(=O)n(C)c(=O)[nH]c21
+,,,,0.0,,,,,,0.0,,,,,,,CID3155067,COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
+,0.0,,0.0,,0.0,,,0.0,,,,,,,,,CID647207,CCCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID2133919,Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nn2c(C)nnc2s1
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+,,,,,,,,0.0,,,,,0.0,,,0.0,CID2156445,Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,,,,CID1550029,O=C1/C(=C/c2ccccc2[N+](=O)[O-])COc2ccccc21
+,,,,,,,,0.0,,,,,,,0.0,,CID896583,CCOC(=O)NCc1ccc(Cl)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1471978,CN(C)c1ccnc(-n2cccc2/C=N/O)c1C#N
+,,,,,,0.0,,,1.0,,,,,,0.0,0.0,CID657918,CC12CCCCC1(O)[N+](=O)C1=C(CCCC1)N2[O-]
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID661031,O=C(c1ccccc1F)N1CCC(N2CCCCCC2)CC1
+0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,CID2999390,Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID851158,CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1
+,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,CID3242433,COc1ccc2cc3cc(C(=O)NCCCN4CCOCC4)oc3nc2c1
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+,,,,,,,,0.0,,,,,,,,,CID727658,CC(C)(C)c1ccc(C(=O)N2CCCCCC2=O)cc1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID5309793,Cc1nc2ccc(S(=O)(=O)NC(C(=O)N3CCC(C)CC3)C(C)C)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID1369255,Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)C(C)(C)C
+,,,,,0.0,,,,,,,,,,,,CID9550746,CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3c(-c4ccc(F)cc4)c(C)nn3c2C)CC1
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+,,,,,,,,,,,0.0,,0.0,,,,CID1474527,Cc1ccc(C(=O)OCCc2c(C)[nH]n(-c3ccccc3)c2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1223790,CCOc1cccc(C(=O)Nc2cnn(Cc3ccccc3)c2)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID2888171,CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4=C(C)C)C3C2=O)c1
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+,,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,CID3245817,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2874571,CCc1ccc(-c2nn(-c3ccccc3)cc2C2SCC(=O)N2Cc2ccco2)cc1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID654755,CCOC(=O)c1cc2occc2n1CC(=O)N1CCOCC1
+,,,,,,,,0.0,,,,,,,,0.0,CID3242161,Cc1cc(C(F)(F)F)nc(NCc2ccc(F)cc2)n1
+,,,,,,,,0.0,,0.0,,,,,,,CID687087,COc1ccc(C(=O)Nc2cccc(OC)c2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID743130,CC1(C)CC(=O)c2cnc(NC(=O)C3CCCC3)nc2C1
+,,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,CID724964,O=C1C(Cl)=C(N2CCOCC2)C(=O)N1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID740746,COC(=O)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl
+,,,0.0,0.0,,,,0.0,,,,,,,0.0,,CID891785,COc1ccccc1NC(=O)CNS(=O)(=O)c1ccccc1
+0.0,,,,,,,,,,,,0.0,,,,,CID5309586,CC1CCCCC1NC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID661918,CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cn2)C1c1ccccc1F
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+,,,,,0.0,,,,,,,,,,,,CID784036,COc1ccc(CNc2ccccc2SC)cc1OC
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID587357,CN(C(=O)c1ccccc1Cl)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1921530,Cc1ccc(N/C(=C/C(=O)C(=O)OC(C)C)c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID9551482,COc1cccc(CNS(=O)(=O)c2cc(Br)cc3c2N(C(C)=O)C(C)C3)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID3236704,Cn1c(=O)c2cc(S(=O)(=O)NCCC(=O)NCc3ccccc3Cl)ccc2n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID1325129,Cc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID1477081,O=C(O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID2102399,Cc1cccc(N2CCN(C(=O)c3ccc4ncsc4c3)CC2)c1C
+,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,,CID3240611,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID1603429,O=C(N/N=C/C=C/c1ccccc1)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID1480799,COc1ccc(S(=O)(=O)NCc2cc(-c3ccccc3Cl)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID673795,O=C(NCc1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID9551284,COc1ccc(/C=N/Nc2nonc2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID2157573,CCOC(=O)c1ccc(NC(=O)CS(=O)(=O)c2cn(CC)c3ccccc23)cc1
+,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,CID1505333,COC(=O)c1sccc1NC(=O)Cn1nnc(-c2ccc(C)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID3719985,C/C(=N\NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID961104,CCOC(=O)c1[nH]cnc1C(=O)Nc1ccccc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID5310004,CCS(=O)(=O)NCc1csc(-c2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID5309508,NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccccc3)N2N1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2213906,COC(=O)c1sccc1NC(=O)CSc1nnnn1-c1ccccc1C
+,,,,,,,,0.0,,,,,,,,,CID1048508,Brc1ccc(-c2nnc3n2C2(CCCC2)Cc2ccccc2-3)o1
+,0.0,,,,0.0,,,,,,,,,,,0.0,CID5309840,Cc1ccccc1-c1nc(CS(=O)CC(=O)NCc2ccccc2)c(C)o1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID652196,CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Br)c(O)c(OC)c1
+,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,CID3238136,Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N(C)CCC#N)cc2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID652960,Nc1cc(N)cc(-c2nc3ccccc3[nH]2)c1
+,,,0.0,,,,,,,,,,,,,,CID648178,COc1ccc(N(CC(O)CN2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,0.0,,0.0,,,,,CID672059,CCOc1cccc(=O)c2c(C)n(Cc3ccco3)c(C)c12
+,,,,,,,,0.0,,,,,,,,,CID2958304,COC(=O)c1ccccc1NC(=O)CSc1nnc(C(C)NC(=O)c2ccc(Cl)cc2Cl)n1C
+,,,,,,,,0.0,,,,,,,,,CID1094965,O=C(c1cccc(Br)c1)N1CCN(C(=O)N2CCOCC2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID789951,COc1ccc(COC(=O)NNC(=O)c2ccc(OC)cc2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID878329,O=c1nc[nH]c2c1C1(CCCC1)Cc1ccccc1-2
+,,,,0.0,,0.0,,0.0,,,,,,0.0,,,CID2949811,Cc1cccc(N(C2C=CS(=O)(=O)C2)S(=O)(=O)c2ccccc2)c1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,,,CID878800,O=c1c2ccccc2nc(-c2cccs2)n1-c1cnccn1
+,,,,,,,,,,0.0,,,,,,,CID3199955,CCC(c1nnnn1CCOC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID1247120,Cc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(C)o1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID2942078,CCCCSc1c(C)c2cc3c(cc2[nH]c1=O)OCO3
+,,,,0.0,,,,,,,,,,,,0.0,CID663228,COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1Cl
+0.0,,,,,0.0,0.0,,,,0.0,,,,,0.0,,CID650873,CC(C)CCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)Cn1nnc(-c2cccs2)n1
+,,,,0.0,,,,0.0,,0.0,,,,0.0,,,CID2240037,COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1
+0.0,,,,,,,,,0.0,,,,,,,,CID653680,CCCc1cc(N2CCCC(C(=O)NCc3ccc4c(c3)OCO4)C2)n2ncnc2n1
+,,,,,0.0,,,,,,0.0,,,,,,CID757447,CCc1ccc(OCC(=O)N2CCN=C2c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2769963,COC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID2870951,Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4C3=O)cccc12
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID2481623,O=C(c1ccccc1OCc1ccccc1Br)N1CCN(c2ncccn2)CC1
+,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,,CID661705,CCOC(=O)c1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
+,,0.0,,0.0,,,,,,,,,0.0,,0.0,,CID2126078,Cc1noc(C)c1COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID1918446,CC1(C)Cc2ccccc2C2=C(C(=O)N3CCCCCC3)C(=O)C(=O)N21
+,0.0,,,,,,0.0,,,0.0,,0.0,,,,,CID2998849,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnnn1-c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,,CID663126,Clc1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID1175894,Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1
+,,,,,,,,,0.0,,,,,,,,CID5310532,COC(=O)c1ccc(CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)o1
+,,,,,,,,,0.0,,,,,,0.0,,CID3235720,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3ccc4c(c3)OCCO4)ccc21
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID1074697,Cn1nc(CC(=O)N2CCN(c3ccccc3)CC2)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1487857,O=C1CCN(C(=O)CSc2ccc(Cl)cc2)N1
+,,,,,0.0,,,,,0.0,,,,,,,CID1351643,COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1OC
+,,,0.0,,,,,,,,,0.0,0.0,,0.0,,CID793808,CC1(C)Oc2ccc3ccc(=O)oc3c2-c2cnoc21
+0.0,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID648874,Cc1ccc2c(SCC(=O)NCc3ccco3)nc(-c3ccc(F)cc3)nc2c1
+0.0,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,CID649696,O=C(CSc1nc2ccccc2n1CC(=O)NCc1ccccc1)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID822532,CC(C)(C)Nc1nc(NCc2cccnc2)nc(N2CCOCC2)n1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID2998085,CCCc1cc(=O)nc(SCC(=O)N2CCC(C(=O)OCC)CC2)[nH]1
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID292449,COC(=O)CNC(=O)C1CCCN1C(=O)OC(C)(C)C
+,,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,CID2928644,O=C(Oc1ccnc2cc(Cl)ccc12)N1CCCCCC1
+,,,,,,,,0.0,,,,,,,0.0,,CID3236287,O=C(CNS(=O)(=O)c1ccc(Br)s1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,0.0,CID3244353,CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(Cl)c1
+0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID3000047,CCCCn1c2c(c(=O)n(C)c1=O)C(c1ccc(OC)cc1)N1CCCCCC1=N2
+,,,,,,,,,,,0.0,,,,,,CID2866287,CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)Nc3ccc(F)cc3)CC2)C(=O)C1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID3238944,Cc1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1
+,,0.0,,,,,,,,,,,,,,,CID663566,CCn1cc2c(c1-c1cccc(C)c1)c(=O)n(C)c(=O)n2C
+,,,,,,0.0,,,,,,0.0,,0.0,0.0,,CID743917,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccc1C
+,,,,,0.0,,,,,,,,,0.0,,,CID671755,Cc1ccc(-c2cc(N)n3nc(-c4ccc(C)cc4)cc3n2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3239428,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1OC
+,,,,,,0.0,0.0,,,,,,,0.0,,0.0,CID646729,CCCC1(C(=O)OC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21
+0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,CID713250,CCOC(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID665107,CCCC(=O)Nc1nnc(CC(=O)OCC)s1
+,,,,,,,,,,,,,,0.0,,,CID1236521,Cn1cc(/C=C2\SC(=O)NC2=S)c2ccccc21
+,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID649061,Cc1cccc(OCc2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n2C)c1C
+,,,,,,,,,0.0,,,,,,,,CID2894396,Cc1cccc(C)c1NC(=O)C1CCCN(CCCc2ccccc2)C1
+,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,CID887949,Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(O)c(C(=O)O)c1
+,,,,,,,,,,,,,0.0,,,,CID1475069,O=c1ccn(Cc2ccncc2)c(O)c1Cc1ccc(Cl)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID976211,c1ccc(-c2ccccc2-c2nc(-c3cccnc3)no2)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID3240793,CNc1nn(-c2cccc(Cl)c2)nc1N
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID2997582,CN(C)/C=N/c1cnc(C(=O)c2ccc(Cl)cc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID1817980,CCCCn1nnnc1NCc1cc(Cl)c(OC)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2835602,CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)C(C#N)=C(SCC(N)=O)N1
+0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID2207086,CCCCCc1nnc(NC(=O)Cc2cccs2)s1
+,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID737596,Brc1ccc(-c2nnc(-c3ccc4c(c3)OCO4)o2)o1
+,,,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,CID3243447,CCOc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCOC)c(=O)c3c2)cc1
+,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,,,CID2969118,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccc(OC)c(OC)c3)CC2)c1
+,,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID22860,Nc1ccc(OCc2ccccc2)cc1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID3131255,O=C1CN(C(=O)CCN2CCOCC2)C(c2ccccc2)c2cc(Br)ccc2N1
+,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID4343614,Cc1cccc(-n2ncc3c(NCCc4ccc(S(N)(=O)=O)cc4)ncnc32)c1
+,,,,,,,,,,,,,0.0,,,,CID1148034,COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1OC
+,,,,,,,,,,,0.0,,,,,,CID5739108,COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccccn2)c1C
+,,,,,,,,,,,,,,0.0,,,CID4877436,CCN1CCN(c2ccc(S(=O)(=O)N3CCCC3)cn2)CC1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID655096,CCCCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1389577,Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)s1
+,,,,,,,,0.0,,,,,,,,,CID2305429,CCOC(=O)N=S(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,,CID3241280,O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2264373,O=Cc1cn(CCCOc2ccccc2)c2ccccc12
+0.0,,,0.0,0.0,,0.0,,,,,,,,,,,CID1409776,CCCc1cc(=O)nc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID4969552,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NCc1ccc(C(=O)O)cc1
+0.0,,,,,,,,,,,,,,,,,CID5309673,O=C(NCc1cccnc1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+,,,,,,,,0.0,,,,,,,,,CID712753,O=c1c2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]n1-c1ccccc1
+0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,CID648982,CCCCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID898321,COc1ccc(-c2csc(N3C(=O)CNC3=S)n2)cc1
+0.0,0.0,0.0,,,,,,,,,,,,0.0,,,CID652393,Cc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1
+0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,CID889680,Brc1cnc(N2CCCC2)nc1N1CCOCC1
+,,0.0,,,,0.0,,,,,,,,,,,CID5308389,CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc21
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2952911,Cc1ccc(NC2=NC(C(=O)Nc3ccc(C)c(C)c3)CC(=O)N2)cc1
+,,0.0,,,,,,,,,,,,,,,CID655023,Fc1cccc(Cl)c1Cn1nnc2c(N3CCC4(CC3)OCCO4)ncnc21
+,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,CID1081370,Cc1ccccc1-n1c(SCC(=O)NCc2cccs2)nnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID16189998,O=C1N(Cc2cccc(Cl)c2)CC2CC(c3cccn3-c3nccs3)N3CCCC123
+,,,,,,0.0,,,,,,,,0.0,,,CID5308563,COC(=O)c1cc(NC2c3ccccc3C(=O)N2c2cccnc2)cc(C(=O)OC)c1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID83187,O=C(Nc1ccccn1)c1cccnc1
+,,,,,,,,,,,,0.0,,,,0.0,CID1259459,Cc1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1
+0.0,,,0.0,,0.0,,,,,,,,,,,0.0,CID3237114,COc1ccc(C2=NOC(C(=O)N3CCCCCC3)C2)cc1OC
+,,,0.0,,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,CID2727851,O=C1Nc2ccccc2C1(O)Cc1ccncc1
+,0.0,,,,,,,,,,0.0,,,,,,CID650158,CN(C(=O)C1CCCO1)c1nnc(-c2cnccn2)s1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID649582,O=c1c2ccccc2nc(-c2ccco2)n1/N=C/c1ccco1
+0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,,CID683053,Nc1nonc1-c1nc2ccccc2n1Cc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID3100202,Cc1nc(SCC(O)CCl)c([N+](=O)[O-])[nH]1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3231110,O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NCc1ccccc1
+,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,0.0,,CID661090,CCOC(=O)c1cc(C)n(Cc2ccccc2)c1C
+,,,0.0,,,,,,,,0.0,,,,,,CID650342,COc1ccc(S(=O)(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1440349,Cc1cc2cc3c(cc2nc1SCC(=O)Nc1c(C)cccc1C)CCC3
+,,,,,0.0,,,,,,,,,,,,CID2271431,COc1ccccc1OCCOc1ccccc1/C=C1/SC(=S)N(C)C1=O
+,,,,,,,,,0.0,,,0.0,,,,,CID663500,COC(=O)C(C)NC(=O)NC1CCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID1556636,CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3OC)n2)nc1N
+,,,0.0,,,,,,0.0,,,,,,,,CID675178,O=C(Nc1ccc2c(c1)OCCO2)c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID16193456,O=C(CNC(=O)c1ccncc1)N/N=C/c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID859637,Cc1sc(N)c(C(=O)c2ccccc2Cl)c1C
+,,,1.0,,,,,,,,,,,0.0,,,CID2883004,C=COCCn1c(-c2nonc2N)nc2ccccc21
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID646286,COCCN(C(=O)Cc1cccs1)c1nnc(-c2ccncc2)s1
+,,,,,,,,,,,0.0,,,,,,CID521506,CC(=O)CSc1ncnc2nc[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID2765726,CCSc1ncc(/C=N/Nc2ccccc2)n1C
+,,,,,,,,0.0,,,,,,,,,CID2214822,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cccc(C(C)=O)c2)cc1C
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1438062,COc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
+,,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID762638,CCCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID3784890,COn1c(-c2ccccc2)nc2ccc(Cl)cc21
+,,,,,,,,,,,0.0,,,,,,CID1373594,COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccccc2)cc1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2051214,CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(C3CC3)o2)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2225184,O=C(NCCCN1CCCC1=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID2262425,C=CCOc1ccc(/C=C2\C(=O)NC(=O)N(CC=C)C2=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1442646,CCCc1nc(SCC(=O)N2CCc3ccccc3C2)c2ccccc2n1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID834422,Cc1ccc(CNc2nc3ccccc3s2)s1
+0.0,,,0.0,,,,0.0,,0.0,,,,,,,,CID686788,O=C1c2ccccc2NC2(CCCCC2)N1c1ccc(O)cc1
+,,,,,0.0,,,,0.0,,,,0.0,0.0,,,CID977093,COC(=O)c1ccc(COn2c(=O)c(C)[n+]([O-])c3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID4362320,CN(C(=O)COC(=O)c1cncc(Br)c1)C1CCS(=O)(=O)C1
+,,,,,,,,0.0,,0.0,,,,,,,CID2193419,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1cccc(Br)c1
+,,,,,,,,,,,,,,0.0,,,CID16192047,COc1ccc(-n2cc(CNCCCn3ccnc3)c(-c3ccccc3Cl)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID942706,COC(=O)Cc1ccc(NC(=S)NN2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1069776,CN(C)c1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c12
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID3240086,Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(F)cc1Cl
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID663474,COC(=O)c1[nH]c2cc(OC)ccc2c1NC(=O)CN1CCOCC1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0,CID2997964,Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12
+,,,,,0.0,,,,,,,,,,,,CID5389472,CCOc1ccc(C2C=C(c3ccc(C)cc3)N=C3N=NNN32)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID660151,C/C(NC(=O)c1ccccc1F)=C1\C(=O)CC2C1C2(C)C
+,,,,,,,,,,,,,,0.0,,,CID1586454,Cc1ccccc1OCC(=O)NNC(=O)CCN1C(=O)c2ccccc2C1=O
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID3238146,CC(C)CCN1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O
+,,,,,,,,,,,,,0.0,,,,CID2501115,Cc1ccc(C(=O)Nc2ccc(-c3csc(C)n3)cc2)cc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID852230,Cc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID4582696,COc1ccc(CNC(=O)c2cnc3n(c2=O)CCS3)cc1
+,,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID2302075,O=C(CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID5216826,CCS(=O)(=O)Nc1cccc(C2=NN(S(C)(=O)=O)C(c3ccccc3)C2)c1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,CID2981795,Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)NCc1ccccn1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,,CID662043,CC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,0.0,0.0,,,,0.0,0.0,,,,,,,CID651550,O=C(Cn1c(=O)sc2ccccc21)NCc1ccco1
+,,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,CID6872,O=C(Nc1ccccc1)c1ccccc1O
+,,,,,,0.0,,,,,,,,,0.0,,CID1251714,Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccc(F)cc3)CC2)n1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID646150,COc1ccc(N2CCN(C(c3cccs3)c3nnnn3C3CCCC3)CC2)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID1331320,COc1ccc(-c2cc(C(=O)N3CCOCC3)c3cc(C)ccc3n2)cc1
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID2193386,O=C(CSc1nnc(Cc2ccccc2)o1)NCCc1ccccc1
+,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID3244452,COc1ccc(S(=O)(=O)NCc2ccc(C(=O)O)cc2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID1224211,NS(=O)(=O)c1ccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID3244147,COc1ccc(S(=O)(=O)CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID997370,O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2120151,CC(C)(C)NC(=O)COC(=O)c1cc(Br)ccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID5065354,Cc1ccc(NC(=O)N2CCC(c3ccccc3)C2)cc1C
+,,,0.0,,,,,,,,,,,,,,CID835230,CN(c1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
+,,0.0,,,,,,,,,,,,,,,CID659162,CSc1nc2sc3c(c2c(=O)[nH]1)CCC(C)C3
+,,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID2841559,CC1(C)CC(=O)C=C(NCc2cccs2)C1
+,,,,,,,,,,,,,,0.0,,,CID988922,CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccc(OC)cc2)c1=S
+,,,,,,,,,,,0.0,,,,,,CID2901712,O=C(Nc1cccc2ccccc12)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,,0.0,,,,,CID5309670,CCCc1cc(C(=O)NCc2ccc(OC)cc2)no1
+,,,0.0,,,,,,,0.0,,,,,,,CID3241095,COc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID5190408,O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21
+,,,,,,,,,,,,,0.0,0.0,,,CID7205712,O=C(CSc1ccc(-c2ccccc2)nn1)N1CCCCC1
+,,,,,,,,0.0,,,,,0.0,,,0.0,CID3236080,COC(=O)C(c1cc(OC)c(O)c(OC)c1)(N1CCNC(C)C1)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID2359839,Cc1ccc(NC2=NS(=O)(=O)c3cc(F)ccc3S2)cc1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID654946,O=C(CCC(=O)N(Cc1ccco1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3213937,CCC(C)NC(=O)CSc1nnc(-c2ccoc2C)n1CC1CCCO1
+,,,,,,,,,,,0.0,,,,,,CID1454141,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccccc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID1481718,CC(C)(C)c1ccc(Cn2ccc(-c3ccc4c(c3)OCO4)n2)cc1
+,,,,,,,,,,,,0.0,,,,,CID5413115,O=C1C=c2ccccc2=C/C1=C1/NNC(=S)O1
+,,,,,,,,,,,,,,0.0,,,CID2943543,O=C(Nc1nccs1)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID665347,COc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1
+,,,,,,,0.0,,,,,,,,,,CID3146354,CCCCCn1c(NC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,CID2416006,O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID966575,COc1ccc(OC(=O)COc2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1201998,O=C(CSc1ccccn1)Nc1ccc(NC(=O)CSc2ccccn2)cc1
+0.0,,,,,,,0.0,,,,0.0,,,,,0.0,CID648869,CCOc1ccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc2c1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID667122,COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,CID649835,N#CCCN1CCN(C2=NC(=O)C(=C3CCCCC3)S2)CC1
+,,,,,,,,,,,,,,0.0,,,CID569623,CCN1C(=O)C(CC(=O)NC)N(NC(=O)c2ccccc2)C1=S
+,0.0,,,0.0,0.0,,,,,0.0,,,,,,,CID3242372,CCOc1ccc(OCC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID646882,CCCCCOC(=O)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1482851,COC(=O)C(Cc1cnc(Cl)s1)(C(=O)OC)c1ccc([N+](=O)[O-])cc1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID1188159,CCNS(=O)(=O)c1ccc2nc(NC(=O)c3cccnc3)sc2c1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID850059,CCN(CC)S(=O)(=O)c1ccc(Br)c(OC)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID2237232,O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1cccs1
+0.0,,,,,,0.0,,,,,,,,,,,CID2942058,CC(C)(C)C1CCC2(CC1)C(C#N)=C(SCC(=O)NC1CCCCC1)NC(=O)C2C#N
+,,,,,,,,,,0.0,0.0,,,,,,CID929912,O=c1nc(Nc2ccccc2)[nH]c(N2CCCCC2)n1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID654287,COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1
+,,,,,,0.0,,,,,,,,,,0.0,CID665627,O=C(NCCc1cccc(F)c1)C1CSC2c3ccccc3C(=O)N12
+,0.0,,,,,,0.0,,,,,,,,,,CID891012,CCC(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3190317,CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)C1COc2ccccc2O1
+,,,,,0.0,,,,,,,,,,,,CID2870476,CCOc1ccc2nc(SC3CC(=O)N(c4ccc(OC)cc4)C3=O)sc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1489581,O=C(Cc1ccccc1)NCCS(=O)c1ccc(Cl)cc1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID664937,Nc1nc(NC(=O)c2cccnc2)nn1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID748828,O=S(=O)(c1cccs1)N1CCCc2cccc(O)c21
+,,,,,,,,,,,,,0.0,,,,CID3725334,CNCCOc1nc(N2CCOCC2)nc(C)c1[N+](=O)[O-]
+,,,,,,,,0.0,,,,,,,,0.0,CID2169834,CC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID2998777,O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)c(S(=O)(=O)NCc2ccco2)c1
+,,,,,,,,0.0,,,,,,,,,CID2304379,O=c1[nH]c(=O)n(Cc2ccco2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(C1CCCCC1)N2
+,,,,,,,,,,,,,0.0,,,,CID1473601,CCOC(=O)c1c(-c2ccccc2)nc2ccccn12
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID3235971,Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccccn2)o1
+,,,,,0.0,,,,,,0.0,,,,,,CID839576,Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)Cc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID4638621,O=C(NCc1n[nH]c(=S)n1Cc1ccccc1)c1ccccc1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID1480154,O=c1nc(SCc2ccccc2Cl)[nH]c2c1CCCC2
+,,,,,,,0.0,,,,,,,,,0.0,CID714410,O=c1n(-c2ccccc2)c(=O)n2n1CCCC2
+,,,0.0,,,,,,,,,0.0,,,,,CID3244309,CCCN(CCC)CCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2=O
+,,,,,,,,,,,,,,,0.0,,CID666459,Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID3146020,CCOC(=O)Cc1csc(NC(=O)COc2ccc3ccccc3c2)n1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID3235672,Cc1ccc(CN2C(=O)CSc3ccc(C(=O)NCCN4CCOCC4)cc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID804116,O=C(Nc1ccc2nsnc2c1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID4100018,CCOc1ccccc1N(C)C(=O)c1nn(-c2ccc(OC)cc2OC)c(=O)c2ccccc12
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID1348125,Cn1c(=O)c2c(nc(SCc3cc4c(cc3Cl)OCO4)n2C)n(C)c1=O
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+,,,,0.0,,,,,,,,,,,,,CID4286137,CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(Cl)s3)o2)C1
+,,,,,,,,,,,0.0,,,,,,CID853275,COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1
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+,0.0,,,,0.0,,,,,,,,,,,,CID5309432,CC(=O)N1CCc2cc(C(=O)CN3CCCN(Cc4ccc(F)cc4)C3)ccc21
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+,0.0,0.0,,,,,0.0,,,,,,,,,,CID663734,COc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1
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+0.0,,,,,,,,0.0,,,,,,,0.0,,CID2213791,COc1ccc(OC)c(-n2c(CN3CCC(C(N)=O)CC3)nc3ccccc3c2=O)c1
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+,0.0,,,,,,,,0.0,,,,,,,,CID1510815,CC(=O)c1nnn(-c2nc(N)nc(N(c3ccccc3)c3ccccc3)n2)c1C
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+,,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID3241808,Cc1ccccc1CN1CCNC1=O
+,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,CID4495,CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1Oc1ccccc1
+,,,0.0,,,0.0,,,,,,,,,,,CID5389655,Fc1ccc(C2CC(c3ccc(F)cc3)N3NC=NC3=N2)cc1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID662719,Fc1ccc(CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID5310847,COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccc(C)cc2)cc1
+,,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,CID691868,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2nncs2)c1
+,,0.0,,0.0,,0.0,,0.0,,,,,,,,,CID653945,COc1cc2nc(C3CCC3)n(NC(=O)C3CCCC(OC)C3)c(=O)c2cc1OC
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID718626,CCN1CCN(c2nc(C)nc3c2sc(=S)n3C)CC1
+,,,,,,,,,,,0.0,,,,,,CID3120175,O=C(Nn1cnnc1)C12CC3CC(CC(C3)C1)C2
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID208782,O=c1nc(N2CCN(c3ccccc3)CC2)[nH]c2c1CCC2
+,,,0.0,,,,,,,,,,,,,,CID580038,CN1C2CCC1CC(OC(=O)CCN1CCCC1)C2
+,,,,,,,,,,,,,,0.0,,,CID2371714,COc1cc(CC(=O)OCn2nnc3ccccc3c2=O)cc(OC)c1OC
+0.0,0.0,,,,,,,,,,,,,0.0,,,CID665997,Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1Cl
+,,,,,,,,,,0.0,,,,,,,CID977652,CCC(C)(C)NC(=O)Cc1ccc(OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2570267,CCN(C(=O)CN1CCN(c2ccccc2O)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,0.0,,,0.0,,,,,,,,,,,,CID5310354,CC(=O)C(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(C)=O
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID2999847,CN(C)CCCNc1oc(-c2ccc(Cl)cc2)nc1C#N
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID1473320,c1ccc(Nc2nc3ccccc3n3cnnc23)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID1245238,CCOC(=O)c1cc(NC(=O)c2ccoc2C)cc(C(=O)OCC)c1
+,,,,,,,0.0,,,,,,,0.0,,,CID5309937,CN(C)c1ccc(C2N(c3ccc(F)cc3)C(=O)C3CCCN32)cc1
+,,,,,,,,,,,,,0.0,,,,CID3244666,Cc1occc1C(=O)Nc1nn[nH]n1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID655166,CCCCOc1ccc(CSc2nncn2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID2672709,Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID655788,CCc1nnc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2CC)s1
+,,,,,,,,,,,,,,0.0,,,CID5027786,C/C(=N\N1C(C)CCCC1C)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,0.0,,,,0.0,,,,,,,,,,CID805815,COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID5741852,O=C1CC(c2ccco2)CC2=C1C(c1ccccc1)N1NC(C(F)(F)F)=NC1=N2
+,,,,,,,,,,,,,0.0,,,,CID4818596,COc1cc(NC(=O)CN2CCCCC2C)c(C)cc1[N+](=O)[O-]
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID656177,CCOc1ccccc1-n1c(SCC(=O)N(CC)CC)nnc1-c1ccccn1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2885889,Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID666149,Cn1c(CCN2CCCCC2)nc2cc(NC(=O)C3CCCCC3)ccc21
+,,,,,,,,0.0,,,,,,,,,CID3242812,CCOCCCNC(=O)C(c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(C)=O
+,,0.0,,,0.0,,0.0,,,0.0,,,,,,,CID647831,CCC(C)(C)n1nnnc1C(C(C)C)N1CCSCC1
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0,CID655000,Cc1ccc2cc(CN(Cc3ccco3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C
+,,,,,,,,,,,,,0.0,,,,CID904800,CCC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12
+,,,0.0,,,,,,,,,,,,,,CID2859845,CCSC(C)CC1C/C(=N\O)c2c(C)noc2C1
+,,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,CID3239308,O=C(NC1CCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+0.0,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,,CID2999142,Cn1nc(C(=O)Nc2c(-c3ccccc3)nc3sccn23)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1632782,Cc1sc2nc(SCC(=O)NCCOCCO)nc(N)c2c1C
+,,,,,,,,,0.0,,,,,,,,CID750640,CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID662153,CCN(CC)C(=O)CSc1nnc(C(Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1
+,,,,0.0,,,,,0.0,,,,,0.0,,0.0,CID655220,O=C(c1cnn2c(C(F)F)cc(-c3ccccc3)nc12)N1CCSCC1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID666507,COc1cc(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc(OC)c1OC
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID4090143,Oc1c(C(c2ccco2)N2CCOCC2)sc2ncnn12
+,,,,,,,,,,,,,0.0,,,,CID4568787,COc1ccc(CCN2C(=O)CC(NNC(=O)c3ccccc3Br)C2=O)cc1OC
+,,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID662933,CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID668303,Cc1ccc(OCC(=O)N2CCCc3ccccc32)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID649462,Cc1cc(N2CCOCC2)n2nc(-c3cccc(F)c3)cc2n1
+,,,,,0.0,,,,,,,,,,,,CID1043433,COc1cc(C(=O)NCc2cccc3ccccc23)cc(OC)c1OC
+,,0.0,,,0.0,,,,,0.0,,,,,,,CID2998847,CC12CCC(C(=O)n3c1nc1ccccc13)C2(C)C
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID2233896,CCSCc1nnc(SCC(=O)Nc2cccc(SC)c2)n1C
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID1289595,CCn1nnnc1Oc1ccc(Cl)cc1
+,,,0.0,,,,,,,,,,,,,,CID894053,Cn1nnc2cc(NC(=O)N3CCN(c4ccccn4)CC3)ccc21
+,,,,,,,,,,,,,,,,0.0,CID2368608,CCCCC(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2527862,Cc1nnc(SCc2nnc(-c3cccs3)o2)n1C1CCCCC1
+0.0,,,,,0.0,,,,0.0,,,0.0,,,,,CID5308365,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1F
+,,,,,,,,,0.0,,0.0,,,,,,CID992283,Cc1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1
+0.0,0.0,,,,,,,,,,,,,0.0,,,CID199200,COc1ccc(CN2CCN(c3ncccn3)CC2)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID3299387,O=C1C(c2ccc(F)cc2)N(CC2COc3ccccc3O2)C(=O)CN1C1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID1042363,CCc1ccc(-n2c(CSc3nnnn3-c3ccccc3)nc3ccccc3c2=O)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2334593,Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CNCc2ccccc2)n1
+,,0.0,0.0,,,,,,,,,,,,,,CID2998962,Cc1c(NC(=O)C2CCCN2C(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C
+0.0,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,,CID654721,Cc1ccc2c(c1)cc(CN(Cc1ccco1)C(=O)COc1ccccc1)c1nnnn12
+,,,,,,,,,,,,,,0.0,,,CID2547062,O=C(Cc1ccccc1F)Nc1ccccc1-c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID5309268,CCOc1ccc(-c2cc(CCCC(=O)NCc3ccco3)no2)cc1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID1095442,CC(=O)c1cn(CC(=O)NCc2cccnc2)c2ccccc12
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID664721,N#Cc1nc(COc2ccc(-c3ccccc3)cc2)oc1NCCCN1CCOCC1
+,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID3235578,COc1ccccc1N1CCN(c2nc3ccccc3n3nnnc23)CC1
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID3243348,O=C(CN1CCC2(CC1)OCCO2)c1ccc2cc[nH]c2c1
+0.0,,,,,,0.0,,,,,,,,,,,CID659751,Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O
+,,,,,,,,,,0.0,,,,,,,CID3780192,COc1ccc(SCC(=O)c2cc(C)c(OC(=S)N(C)C)c(C)c2)cc1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID658188,CCO/C=C1/C(=O)N(CC)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID5055645,COC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCN(C(C)=O)C2
+,,,,,,,,,,,,,,,0.0,,CID5307418,COc1ccccc1C1CC(c2ccc(Cl)cc2Cl)N=C2N=C(N)NN21
+,,,,,0.0,,,,,,0.0,,,,,,CID2954670,CC(=O)c1ccc(NC(=S)N2C(C)CCCC2C)cc1
+,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,CID743438,O=C(c1cccnc1)N1CCCc2ccccc21
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID607139,COc1cc(C(=O)N2c3ccccc3CC2C)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID2579882,O=C(Cn1cnc2ccccc2c1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1
+,,,,,0.0,,,,,,,,,,,,CID367471,Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccccc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3236992,CCc1ccc(N/C(SCc2cccc(F)c2)=C(/C#N)C(=O)NCc2ccco2)cc1
+,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID3236908,Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1
+,,,,,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID1227876,O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Br)o1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID2857066,CCOC(=O)COc1ccc(N)cc1CC(NC(C)=O)(C(=O)OCC)C(=O)OCC
+0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,CID652317,O=C(NCc1ccccc1)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,,,,,,,0.0,,,CID1480279,CS(=O)(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)c(Cl)c1
+,,,,,,,,,,,,0.0,,,,,CID5389785,O=C1CC(c2ccc(Cl)cc2)N2NC(N3C(=O)CCC3=O)=NC2=N1
+,,,,,,,,,,,,,0.0,,,,CID2085254,NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12
+0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0,,0.0,0.0,CID232341,O=C(Nc1cccc(Cl)c1)OCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2557110,COc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+,,,0.0,,,,,,0.0,,,,0.0,,,0.0,CID659185,O=C(O)CC(C(=O)NCc1ccccc1)C1CCCO1
+,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,CID3244595,O=C(NCc1ccccc1)c1cc(-c2cccs2)on1
+,,,,,0.0,,,,0.0,,,,,,,,CID654363,O=C(NC1CCCCC1)C(c1cccs1)N(Cc1cccs1)C(=O)c1ccco1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID902000,CC(C)NC(=O)NS(=O)(=O)c1cnccc1N1CCCCC1
+0.0,,0.0,,,,,,,0.0,0.0,,,,0.0,,,CID667350,CCCCCCn1c(-c2ccco2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
+,,,,,,,,,,,,0.0,,,,,CID2055031,O=C(CSc1ccccn1)Nc1ccccc1F
+,,,,,0.0,,,,,,,,,0.0,,,CID666479,Cc1c(OCc2nn[nH]n2)ccc2c(-c3ccccc3)cc(=O)oc12
+,,,,,,,,,,,,,0.0,,,,CID885369,Cc1ccc(/C=N/n2c(-c3ccc(Cl)cc3)n[nH]c2=S)s1
+,,,,,,,,,,0.0,,,,,,,CID900364,COc1ccc(CNc2ccc(C)cc2)cc1Br
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID656128,CCOc1ccc2cc(C#N)c(SCC(=O)OC)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID2855627,COc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1
+,0.0,,,,,,,,,,,,,,,,CID3154647,COC(=O)C1C2C=CC3(CN(c4ccc(Cl)c(F)c4)C(=O)C13)O2
+,,,,,,,,,0.0,,,,,,,,CID9550225,Cc1ccc(CS/C(Nc2ccccc2C)=C(\C#N)C(=O)NCc2ccco2)c(C)c1
+,,,,,0.0,,,0.0,,,,,,,,,CID2846887,Cc1ccc(C)c(OCCCCn2ccnc2)c1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID860063,COc1ccccc1NC(=O)CSc1nccc(=O)[nH]1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID652388,O=C(Nn1c(C2CC2)nc2ccccc2c1=O)c1ccco1
+,,,,0.0,,,0.0,,,,,,,,,,CID767665,O=C(CCn1c(=O)oc2ccccc21)NCc1cccs1
+,,,,,,,,,0.0,,,,,,,,CID3244232,COc1ccc(CN2CC(C(=O)NCCCN3CCN(C)CC3)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1490527,COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1
+,,0.0,,,,,,0.0,,,0.0,0.0,,,,,CID2221556,Cc1ccc(C(=O)Nc2cccc(C(=O)NCc3ccco3)c2)cc1
+0.0,,,,,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID647676,CCOc1ccccc1N(CC(=O)NC(C)(C)C)C(=O)Cn1nnc(-c2ccc(C)o2)n1
+,,,,,,,,,,,1.0,,,,,,CID737253,CN1CCN(c2ccc(N)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID4516225,O=C(NC1CCCCCCC1)C1c2ccccc2C(=O)N1Cc1ccco1
+0.0,0.0,,,,,,,,0.0,0.0,,0.0,,0.0,,0.0,CID665478,CCCn1c(N2CCC(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID975117,Cc1ccc(NC(=O)COc2ccc3oc4c(c3c2)CCCC4)nc1
+,0.0,,,,,0.0,0.0,,,,,0.0,,,,0.0,CID646539,CCOC(=O)c1cnc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)nc1N
+,,,,,,,0.0,,,,,,,,,,CID5366130,NC1=NON/C1=C(/N=O)N1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID2110953,CCCCN1Cc2cc(C(=O)c3cc(OC)ccc3O)cnc2NC1=O
+,,,,,,,,,,,,0.0,,,0.0,,CID773925,CCOC(=O)N1CCN(C(=O)COc2ccccc2OC)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1901064,CN(C)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2
+0.0,,,,,,,,,,,,0.0,,,,,CID662857,OC(Cn1cncn1)c1ccc(Cl)cc1Cl
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID3245875,COc1cc(C)ccc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID782737,COc1ccccc1N1CCN(Cc2cccc(OC)c2O)CC1
+,,,,,,,,0.0,,,,0.0,,,,,CID644920,O=C(CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc2c(c1)OCCO2)NCCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID859216,O=C(Cn1nnc(-c2cccs2)n1)NCCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2954170,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCOc3ccccc3Cl)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID867091,O=[N+]([O-])c1cccc(-c2nc(-c3ccc(Cl)cc3)no2)c1
+,,,,,,,,,,,,,0.0,,,,CID72897,O=[N+]([O-])c1ccc2c(c1)oc1ccccc12
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID657932,CC1(C)C(N(O)C(=O)Nc2ccccc2)N(c2cccc(Cl)c2)C(=O)N1O
+,,,,,,,,,,,,,0.0,,,,CID5524310,CSc1nsc(/C=C/Nc2ccc(C)cc2)c1C#N
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID3245095,COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21
+,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,CID2999003,CC(Oc1ccc(NC(=O)c2ccco2)cc1)C(=O)N1c2ccccc2CC1C
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID2957013,O=C1C2CC=C(Cl)CC2C(=O)N1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1125990,O=S(=O)(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2843949,Cc1ccc2ccc(C3C(=O)c4ccccc4C3=O)nc2c1
+,,,,,0.0,0.0,0.0,,0.0,,,,,,,,CID646199,O=C1C2C3c4ccccc4C(c4ccccc43)C2C(=O)N1CN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2836874,O=C1CC(c2ccccc2)CN1C(=O)c1cncc(Br)c1
+,,,,,,,,,,0.0,,,,,,,CID1076192,O=C(c1ccccc1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1
+,,,,,0.0,,,,,,,,,,,,CID903944,CC(C)(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID3243955,Cc1ccc(CNC(=O)CCCn2c(=O)[nH]c3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1018024,CCOc1ccc(C(=O)Nc2cccc3ncccc23)cc1Br
+,,,,,,,,,,,,,0.0,,,,CID5095667,O=C(Nc1nnc(C2=COCCO2)o1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID929670,CCCc1ccc(Oc2cc(C)nc(N3CCOCC3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID844555,CCn1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Br)cn2)n1
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID2289748,CCCCOCCCNC(=O)C1CCCCC1
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID3245318,Cc1ccc(-c2ccc(=O)n(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)n2)cc1
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+0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,CID2089985,CCn1c(=O)c(C(=O)CN2CCCc3ccccc32)c(N)n(Cc2ccccc2)c1=O
+,,,,,,,,,,,,,,,0.0,0.0,CID3238244,Cc1ccc(N2C(=O)Nc3ccc(Br)cc3C2(O)C(=O)NCCCN(C)C)cc1C
+,,,,,,,,,0.0,,,,,,,,CID4226781,COC(=O)c1cn(NC(=O)c2ccc(F)cc2)c(=O)c2ccccc12
+,,,,,,,,0.0,0.0,,0.0,,,0.0,,,CID3154403,O=C(NCc1ccccc1)C1CC(=O)N(c2ccc(OCC(=O)N3CCCC3)cc2)C1
+,,,,,0.0,,,,,,,,,,,,CID5348861,COc1ccc(/C=c2\sc3n(c2=O)C(c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1
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+,,,,,0.0,,,,,,,,,,,,CID3156770,CCOC(=O)CN1C(=O)C(=O)c2cc(C)ccc21
+0.0,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,CID2612432,Cc1sc2ncnc(SCC(=O)NC(=O)NCc3ccco3)c2c1C
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+,0.0,0.0,,,,,,0.0,,,,,0.0,,,,CID3000007,CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)NCc1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,0.0,,CID2938693,CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl
+,,,,,,,,,,,,0.0,,,,,CID3243149,CCCNC(=O)c1cc(-c2ccc(OC)cc2)on1
+,,0.0,,,,0.0,,,,,,,,,,,CID3238744,CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)OCc1ccccc1
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+,,,,,,0.0,,,,,,,,,0.0,0.0,CID1505166,COc1ccc(OCc2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1
+,0.0,,,,0.0,,,,0.0,,,,,,,,CID883556,COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC
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+,,,0.0,,,,,,0.0,,,,,,,,CID5479,CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
+,,,,0.0,,,,,,,,,,,,0.0,CID2876461,COc1ccc2occ(C(=O)c3ccc(/N=C(\C)N(C)C)cc3)c2c1
+,,,,,,,,,,,,,,0.0,,,CID651843,CCNc1nc(NC(C)C)nc(N(C#N)Cc2ccccc2)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID1017560,Cn1c(=O)c2ncn(CC(=O)Nc3ccc4c5c(cccc35)CC4)c2n(C)c1=O
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+,,0.0,,,,,,,,,,,,,,,CID4610571,CCOC(=O)N1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2C(N)=O)C1
+,,,,,,0.0,,,0.0,,,,,,,,CID1247300,Cc1occc1C(=O)Nc1cc(C(C)(C)C)on1
+,,,,,0.0,0.0,,,,0.0,,,,0.0,,,CID40230,COCC(=O)c1[nH]c2ccccc2c1C
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+,,,,,,,,,,,,,0.0,0.0,,,CID878013,O=[N+]([O-])c1ccc2nc(SCc3ccccc3Cl)sc2c1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,,,CID650350,CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nnc1C1CC1
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+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,0.0,,,CID645512,CNC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID665730,COc1cc(OC)cc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1
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+,,,,,,,,,,,,,0.0,,,,CID999669,O=C(NNC(=S)NCc1ccccc1)c1ccc(Br)o1
+,,,,,,0.0,,,,,,,,,0.0,,CID663625,CSCCC(NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NC(C)C(=O)O)CC1
+,0.0,,,,,,,,,,,,,,0.0,,CID3243881,O=C(NCc1ccco1)c1noc2c1CCCC2
+,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,CID655311,CCOC(=O)c1cc(CNC(=O)c2c(C)oc3c2CCCC3)c(C)o1
+,,,,,,,,,,0.0,,,,,,,CID6619858,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccccc1Cl
+,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,CID661967,c1ccc(-c2nc(NCc3ccco3)c3ccccc3n2)nc1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID3000079,COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)nc2ccccc21
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+,,,,,0.0,,,,,,,,,,,,CID5346215,CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(F)cc2)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID2885681,OC(COc1ccccc1Cl)CN1CCN(CC(O)COc2ccccc2Cl)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID6340048,COc1ccnc(CS/C(N)=N/c2cccc(F)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID710508,CCOC(=O)c1ccc(N2COc3ccc4ccccc4c3C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2141151,O=C(CSc1nc(=O)c2c([nH]1)CCN(Cc1ccc(F)cc1)C2)Nc1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3244243,CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2524027,CCOc1cc(C(=O)Nc2nnc(CC)s2)ccc1OCC(=O)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID5929242,O=C1C=C/C(=C2\CSc3nnc(-c4ccco4)n3N2)C=C1O
+,,,,,,,,,,,0.0,,,,,,CID870196,Cc1cc(Nc2ccccc2)c2c([N+](=O)[O-])c(C)cc(C)c2n1
+,,,,,,,,,,,,,,0.0,,,CID3626929,CC(=O)c1ccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCCC3)c3ccccc23)cc1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID660060,Cc1ccc(C(=O)C2=C(O)C(=O)N(c3ncccn3)C2c2cccc(Cl)c2)o1
+,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,,CID973130,COC(=O)Cc1cc(=O)n(-c2nc3ccccc3[nH]2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1368313,O=[N+]([O-])c1cccc(-c2ccc(C(=S)N3CCN(c4ccc(F)cc4)CC3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID1861675,COc1ccc(/N=C2/C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc1
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID647679,O=C(CNS(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1)N1CCCCC1
+0.0,,,,0.0,,,,,,,0.0,,,,0.0,,CID4598644,O=C(c1cnc2n(c1=O)CCS2)N(C1CCCCC1)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1316739,CN(c1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c1)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID5348787,Cc1ccc(/C(N)=N/OC(=O)/C=C/c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6470395,CCN1CCC(NC(=O)Nc2cc(Cl)ccc2OC)CC1
+,,,,,,,,,,,,,,0.0,,,CID2454145,Cn1c(N)c(N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O
+,,,,0.0,,,0.0,,,,,,,,,,CID2263050,COc1cccc(OC)c1OCCNCCO
+,,0.0,,,,,,,,,,,,,0.0,,CID3243000,CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccco2)C1
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,,CID574794,CN1CCN(CCC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
+,,0.0,,,,,,,,,,,,,0.0,,CID1343254,COc1cc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc(OC)c1OC
+,,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID2999943,CCOC(=O)c1sc(N)c(C#N)c1COC(=O)CNC(=O)c1ccccc1
+0.0,,,0.0,0.0,,,,0.0,,,,,0.0,,,,CID2092983,COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCc4ccccc4C3)c2)cn1
+,,,,,0.0,,,,,,,,,,,,CID9551049,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16187332,CSCC(=O)N1CCCC(CNC(=O)c2ccccc2Cl)C1
+,,,,,0.0,,,,,,,,,,,,CID1480736,Cc1ccc(C(=O)NCc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1900094,CCN(CC)CCNc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2
+,,,,,,,,,,,,,0.0,,,,CID1361026,COc1ccc(/C=C2\SC(=N)N(c3ccc(F)cc3)C2=O)cc1
+,0.0,,,,0.0,,,,,,,0.0,,0.0,,,CID653392,CCn1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)n1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID656287,CCc1nnc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID2389222,O=C(O)c1cccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)c1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID1312376,CSc1cccc(NC(=O)CN(c2ccc(C)cc2C)S(C)(=O)=O)c1
+,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,CID650737,COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,0.0,,,,,,,,,,,,,CID1583639,O=C(NCCO)c1cc2ccccc2c(=O)s1
+,,,,,0.0,,,,,,,,,,,,CID2966956,O=C1CC(NNc2nc3ccccc3s2)C(=O)N1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1636485,Cc1cc(NC(=O)CCN2C(=O)/C(=C\c3ccccc3Cl)SC2=S)no1
+,,,,,,,,0.0,,,,,,,,,CID3809150,Nc1c(-c2ccccc2)cnn1C1CCS(=O)(=O)C1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID1247028,O=C(NCc1ccccn1)c1ccc(Br)s1
+,,,,,,0.0,,,,,,,,,,,CID2887413,O=C(O)C1C2CCC(O2)C1C(=O)Nc1cccc(F)c1
+0.0,,,,,,,0.0,0.0,,0.0,,,,,,0.0,CID3242496,O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,0.0,,,,0.0,,,,,CID3239612,Cc1c(C(=O)Nc2cccc(Cl)c2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12
+,,,,,,,,,,,,0.0,,,,,CID665934,Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3nccs3)c(=O)n2c1
+,,,,,,,,,,,,,,0.0,,,CID16187925,CC(NC(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1)C1CC1
+,0.0,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,CID594242,CC(=O)Nc1ccn(-c2ccccc2)n1
+,,0.0,,,,,0.0,,,,,,,,,,CID3237749,COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2c(C)cccc2C)c1=O
+0.0,,,,,,,0.0,0.0,,0.0,,,,,,,CID3238703,COc1ccc2c(c1)CCc1c(C(=O)N3CCc4ccccc4C3)noc1-2
+,,,,,,,,,,,,,0.0,,,,CID2849057,CCCOC1OC(=O)c2c1ccc(OC)c2OC
+,,,,,,,,,,,,,,,0.0,0.0,CID3237506,COc1ccccc1N1CCN(c2cc(=O)n(-c3ccc(Br)cc3)c(=O)[nH]2)CC1
+,,,0.0,,0.0,,,,0.0,,,,,,,,CID3242102,COCC(C)NC(=O)c1cc(-c2ccccc2OC)on1
+,0.0,,,,,,,,,,,,,,,,CID666881,Cc1c(C(=O)c2no[n+]([O-])c2C(=O)c2cnn(C)c2C)cnn1C
+0.0,,,,,,,0.0,,,,,,,,,,CID5310153,CCc1nc(SCC(=O)N2CCCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1
+,,0.0,,,,,,,0.0,,,,,,,,CID5739478,Cc1cc(Cl)ccc1OCC1=NC(=C2C=CC(=O)C=C2)NN1
+,,,,,,,,,,0.0,,,,,,,CID2832294,CC(C)(C)OC(=O)NCC12C=CC(O1)C1C(=O)N(Cc3ccccc3)C(=O)C12
+,,,,,,,,0.0,,,,,,,,,CID6413024,C=CCNc1nc(-c2ccccn2)nnc1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2426857,CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,,,CID667011,COc1ccc2c(c1)c1ncn(CCN3CCCC3)c(=O)c1n2C
+,,,,,,,,,,,0.0,,,,,,CID3227703,O=C(NCC1CCCO1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1
+,,,,,0.0,,,,,0.0,,,,,,,CID2388844,Cc1ccc(-c2csc(NC(=O)COC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4144717,COC(=O)Nc1ccc(/N=C(\N)N[N+](=O)[O-])cc1
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID660572,C=C(c1ccc(O)cc1)c1ccc(O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID5936093,O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1ccc(F)cc1
+,,,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,CID3236649,CC#CCCCC(=O)Nc1cc(OC)nc(OC)n1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID652402,Cc1cc(C)c2c(N)c(C(=O)N3CCCCCC3)sc2n1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID3244968,CC(NC(=O)c1cnc2n(c1=O)CCS2)c1ccccc1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID653590,CCOc1ccc(NCc2nnc(SCC(=O)Nc3cc(C)on3)n2-c2ccccc2OC)cc1
+0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,CID3238979,O=C(c1noc2c1CCc1ccccc1-2)N1CCCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID2550138,COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2936384,CCOc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID651887,Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1CC1CCCO1
+,,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,CID664605,CCN(CC)CCCNc1cc2n(c(=O)n1)CCc1cc(OC)c(OC)cc1-2
+,,,,,,,0.0,,,,,,,,0.0,,CID2999310,CCOC(=O)C1CCCN(C(=O)c2cc(=O)c3ccccc3o2)C1
+,,,,,,0.0,,,0.0,0.0,,,,,,0.0,CID869457,CCOc1ccccc1NC(=O)Cc1ccccc1OC
+,,,,,,,,,0.0,,,,,,,,CID5742494,CC(C(=O)/C(C#N)=C1\Nc2ccccc2N1C)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,0.0,,,,,,,CID2321171,NC(=O)/C(=N\OC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1
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+,,,,,,,,,,,,,,0.0,,,CID6624394,CCc1ccc(NC(=S)N(CCN2CCOCC2)Cc2ccccc2F)cc1
+,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,CID1084014,CCOC(=O)N1CCN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)CC1
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+,0.0,,,,,,0.0,,,,0.0,,,,,,CID3241283,O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccc(Oc2ccccc2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2931366,CCC(Oc1ccccc1)C(=O)Nc1ccsc1C(=O)OC
+,,,,,,,,,,,,0.0,0.0,,,,CID5309860,O=C(NCCCN1CCC(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1
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+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3240645,CCOC(=O)N1CCC(NC(=O)C(NC(=O)C2CCCCC2)C(C)C)CC1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID725542,CCCc1ccc(C(=O)CCC(=O)O)cc1
+,,,,,,,,,,,0.0,,,,,,CID7314640,CNc1ccc(Br)cc(C(=O)/C=C/c2ccc3c(c2)OCO3)c1=O
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+,,,,,,,,0.0,,,,,,,,,CID1296926,Cc1ccc(OC(F)F)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1
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+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID3236643,O=C(CSc1nc2ccncc2[nH]1)Nc1ccccc1C(F)(F)F
+0.0,,,,,,,,,,,,,,,,,CID647701,Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccc(F)cc3)CC2)n1C
+,,,,,,,,,,,,0.0,,,,,CID3243104,CCS(=O)(=O)N1CCCC(C(=O)NCCN(C)Cc2ccccc2)C1
+,,,0.0,,,,0.0,,,,,,,,,,CID5771442,NC(=O)C1=NSN/C1=C1/C=CC=CC1=O
+,,,,,,,,,,,,,,0.0,,,CID2083728,Cc1nc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)c(Cl)cc1Cl
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+,,,0.0,,,,,,,,,,,,,,CID223451,c1ccc(Cc2nn[nH]n2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5310892,CN(C)CCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccc1F
+,,,0.0,,,,,0.0,,,,,0.0,,0.0,,CID847895,COc1cc(C)c(S(=O)(=O)N2CCOCC2)cc1C(C)C
+0.0,,,,,,0.0,,,,,,,,,,,CID5309140,Cc1ccccc1CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID648919,O=C(NCCc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,0.0,,,,0.0,,,,,,,CID2388857,COc1ccc(C2=C(c3ccc(OC)cc3)N3CCS(=O)(=O)N=C3S2)cc1
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+0.0,,,,,,,,,,,,,,,,,CID5308737,Cc1cccc(-c2noc(CN(C(=O)c3c(-c4ccccc4Cl)noc3C)C(C)C)n2)c1
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+,,,,,,,,,,,,,,0.0,,,CID12006104,COc1cccc(N2CC(C(=O)Nc3nnc(SCc4cccnc4)s3)CC2=O)c1
+,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,,CID666595,CCCC1C(C#N)=C(N)Oc2cc(C)n(C)c(=O)c21
+,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID1583933,COCCC/N=C(\c1ccco1)n1c(=S)nc(-c2ccco2)n(CCCOC)c1=S
+,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,CID661436,CS(=O)(=O)NC1c2cccc3cccc(c23)C1Sc1nncn1/N=C\c1ccco1
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+,,,,,,,,,,,,,0.0,,,,CID2178291,COc1ccc(CN2C(=O)/C(=C/c3ccncc3)SC2=S)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1310155,COc1ccc(-n2c(C)cc(/C=C3\SC(=S)N(Cc4ccco4)C3=O)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1148031,O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,,,,0.0,,0.0,,,CID660545,COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(OC)cc3OC)cc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID3310419,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1008284,O=C(N/N=C/c1c(F)cccc1Cl)c1ccc(Cn2cc(Br)cn2)o1
+,0.0,,,,,,,,,,,,,,,,CID2215979,Nc1nncn1C(=O)CCCOc1ccc(Cl)cc1Cl
+,,,,,0.0,,,0.0,,,,,,,,,CID1192535,CCOC(=O)c1ccc(Nc2nc(C(=O)OCC)nc3ccccc23)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1225502,O=C(Nc1ccccn1)c1ccc(COc2ccccc2Cl)o1
+,,,,,,,,,,,,,0.0,,,,CID1480480,CC(=O)/C(=C/N(C)C)C(=O)Nc1ccc(Cl)cc1Cl
+,,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID2902070,C=CCNc1nc(-c2c(C)nc3sccn23)cs1
+,,,,,,,,,,,,,0.0,,,,CID2792832,CCOc1ccc(OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1
+0.0,,,,,,,,,,,,,,,,,CID659673,CCOC(=O)N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2295131,CCOC(=O)CSC(=S)NC(=O)c1ccc(OC)cc1
+,,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID3240572,Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)NC2CCCCCC2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID5307819,CCOC(=O)C1CCCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)C1
+,,,,,,,,,,,0.0,,,,,,CID5749374,Cc1nc(/C=C/c2ccccc2)cc(/C=C/c2ccccc2)n1
+,,0.0,,0.0,,,,,,,,,,,,,CID3238975,CCCCSCCCNC(=O)Nc1cccc(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID1770002,CCCOC(=O)c1c(NC(=O)/C=C/c2cnn(C)c2C)sc(C(=O)OCC)c1C
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID5308898,CCc1cc(=O)oc2cc(C)cc(O)c12
+0.0,,,,,,,,,,,0.0,,,,0.0,,CID783416,CCN1CCN(Cc2cc(Br)cc(OC)c2O)CC1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2343370,O=C(CSc1ncn[nH]1)Nc1ccc(Br)cc1F
+,,,,,,,,,,,,,,0.0,,,CID2324519,C/N=C(/Nc1cc(C)nn1CCC#N)c1ccc(F)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID728102,O=C(Nc1ccc2c(c1)OCCO2)c1cncc(Br)c1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID1093288,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1
+,,,0.0,,,,,,,,,,,,,,CID665441,Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc(F)cc2)n1
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID778315,COc1ccc(S(=O)(=O)Nc2ccccn2)cc1OC
+0.0,,,,,,,,,,,,,,,,,CID3240082,Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12
+,,,,,,,,,,0.0,,,,0.0,,,CID9550216,CCOC(=O)CSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccc(OC)c(OC)c1
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,,CID2592803,O=C(CSc1ncccn1)NCc1ccc(F)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID3240420,CCOC(=O)C1CCN(C(=O)Nc2ccc(NC(=O)C3CCN(C(=O)OCC)CC3)cc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID983889,CC(C)(C)c1cc(NC(=O)CCSc2nnc3ccccn23)cc(C(C)(C)C)c1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,CID664327,COC(=O)c1nc(N)sc1-c1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID5310117,COc1ccc(-n2nnc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1
+,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,CID1246947,COC(=O)c1sc(NC(=O)c2cc3c(s2)CCCC3)nc1C
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2116735,CCOc1ncccc1C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
+0.0,,,0.0,,,,,,,,,0.0,,,0.0,,CID2999454,CC1(C)CC2CC(C)(CN2C(=O)COC(=O)c2ccc(Cl)cc2N)C1
+,,,,,,,,,,,,0.0,,,,,CID3239657,O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1859522,CCOc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID893746,CCCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID974003,N#Cc1ccc2ccn(CC(=O)N3CCCc4ccccc43)c2c1
+,,,,,,,,,,,,,,0.0,,,CID1189521,CS(=O)(=O)c1ccc(S(=O)CC(=O)OCc2ccccc2)c([N+](=O)[O-])c1
+0.0,,,,,,,0.0,,,,0.0,0.0,,,,,CID646041,CC1CCC(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)CC1
+,0.0,,,,,,,,,,,,,,,,CID5309101,CN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
+,,,,,0.0,,,,,,,,,,,,CID2887967,Cc1ccc(C2(C)N(O)C(C)C(c3ccccc3)=[N+]2[O-])cc1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID5113632,CC(C)OCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1
+,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,CID731089,CC(C)Oc1ccc(NC(=O)c2ccncc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2948478,Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C)s2)o1
+0.0,,,,,,0.0,,,,,,,,,,,CID5307735,CC(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID783687,Fc1ccccc1CSc1nnc(-c2ccccc2)o1
+,,,,,,0.0,,,,,,,,,0.0,,CID645919,COC(=O)Cn1c(C)c(C(C)=O)c(C(C)=O)c1C
+,,,,0.0,,,,,0.0,,,,,,,,CID2979757,CC12CCC(C(=O)NCc3ccccn3)(OC1=O)C2(C)C
+,,,,,,,,,,,,,,0.0,,,CID1300987,COc1ccc(Br)cc1C(=O)Nc1ccccc1-c1ccccc1
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID651345,O=C(NC1CC1)C1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)CC1
+,,,,,,,,,,,,,,0.0,,,CID2837999,C/C(=N\NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3243818,CCOC(=O)c1cnn(CCOC(=O)C2CC2)c1NC(=O)C1CC1
+,,,,,,,0.0,,,,,0.0,,,,,CID4668363,CC(CCc1ccccc1)NC(=O)CN1CCOc2ccccc21
+,,0.0,,,,,,0.0,,,,,,,,,CID646639,CC(=O)c1cc2c(cc1NC(=O)c1cnc(C)cn1)OCO2
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID1246260,CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID870543,COc1cccc(/C=N/NC(=O)c2ccc(=O)n(C)c2)c1OC
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID3238219,Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)c(C)c1
+,,0.0,,,,0.0,,0.0,,,,0.0,,,,,CID2913058,O=C(CC1CCCCC1)NCC1CCCO1
+,,,,,,,0.0,,,,,,,,,0.0,CID5310379,COc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID2095990,O=c1cc(COn2nnc3ccc(C(F)(F)F)cc32)nc2sccn12
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID3240891,Cn1c(=O)cc(OCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2ccccc21
+,,,,,,0.0,,,,0.0,,,,0.0,,,CID2997681,O=C(COC(=O)C1CC(=O)N(Cc2ccccc2)C1)Nc1ccc2c(c1)OCO2
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID667144,CCOC(=O)CSc1nnc(C(Cc2ccccc2)NC(=O)OC(C)(C)C)o1
+,,,0.0,,,,,,,0.0,,0.0,,,,,CID3237149,COc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c(OC)c1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID3245050,O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID1028188,O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID872036,Cn1c(/C=N/c2nc3ccccc3[nH]2)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID3090990,O=C1NC(c2cccc([N+](=O)[O-])c2)Oc2ccccc21
+0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,0.0,CID3239681,Cc1cc(C(=O)Nc2sc3c(c2C#N)CCCC3)no1
+,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,CID2671017,CC(=O)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1
+,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,,CID658673,C=CCn1c(O)c(C(=O)Nc2nnc(C)s2)c(=O)c2ccccc21
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+,,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID426788,Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)O
+,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID655647,CCN1CCN(C(=O)c2cc3sccc3n2CC(=O)c2ccccc2)CC1
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+,0.0,,,,,,,0.0,,,,,,,,,CID719205,O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccncc1
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+,0.0,,,0.0,,,,,,,,,,,,,CID646727,Oc1ccc(-c2csc(NCc3ccco3)n2)cc1
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+,0.0,,,,,,,,,,,,,,,,CID661639,CCCC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1
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+,,,0.0,,,,0.0,0.0,0.0,,,,,,,,CID698657,CCN(CC)C(=O)CSc1nc(=O)c2ccccc2[nH]1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID750953,c1ccc(CC2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc1
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+,,0.0,,,,,,,,,0.0,,,,,0.0,CID658814,CCN(CC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12)c1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID306664,CN(Cc1ccccc1)C(=O)NC1CCCCC1
+,,,,0.0,,0.0,,,,,,0.0,,0.0,,,CID645274,O=S(=O)(NCCCCCNS(=O)(=O)c1ccccc1)c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID247817,O=C1c2ccccc2C(=O)N1CCOCCN1C(=O)c2ccccc2C1=O
+,0.0,,,,,,,,,0.0,,,,,,,CID3246787,COc1cc(NC(=O)C2CC=CCC2C(=O)O)c(OC)cc1Cl
+,,0.0,,,0.0,,,,,,,,,,,,CID2366780,Cc1cc(OC(=O)c2ccccc2)n(CCC#N)n1
+,,,,,,,,,,,0.0,,,,,,CID736505,O=c1[nH]c2ccccc2n1Cc1ccccc1
+,,,,,,,,0.0,,,,,,0.0,,,CID977044,N#Cc1cn(-c2ccccc2)nc1-c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID4423730,O=C(c1cnc2n(c1=O)CCS2)N1CCN(c2ccccc2F)CC1
+0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID2997894,CC(C)CNC(=O)CSc1nnc(CN2CCCCCC2=O)n1-c1ccccn1
+,,,,,,0.0,,,,,,,0.0,,,,CID5309898,CCC(C)NC(=O)CCS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID704824,O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cnccn1
+,,,,,,,,,,,0.0,,0.0,,,,CID1006992,CC(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID2227132,CN(C)C(=O)NCc1ccc(S(N)(=O)=O)cc1
+0.0,,0.0,,,,,,0.0,,,,,,,0.0,,CID4076919,CCC(C)(NC(=O)c1ccc(=O)[nH]c1)C(=O)NC1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2211777,CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID16191104,COc1ccc(F)cc1C(=O)C1CCCN(Cc2cccn2-c2cccnc2)C1
+,0.0,,,,,,,,,,,,,,,,CID716700,CC(=O)Nn1c(C)nnc1-n1nc(C)cc1C
+,,,,,,,,,,0.0,,,,,,,CID2193613,COC(=O)CSc1nnc(C)n1-c1ccc(C)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID1399856,CC(C)Cc1nnc(NC(=O)CCC(=O)Nc2ccc(F)cc2)s1
+,,0.0,,,,,,,,,,,,,,,CID2999293,CCN(CC(=O)NCc1ccc(F)cc1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID2869943,C=CCc1ccc(OCCOCCNCCOC)c(OC)c1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID2388546,CC(C)N(C(=O)COC(=O)c1ccc(O)cc1)C(C)C
+,,,,,,,,0.0,,,,,,0.0,,,CID2847848,Cc1cc(C)n(S(=O)(=O)c2cc(Cl)ccc2Cl)n1
+,,,,,,,0.0,,,,,,,,,0.0,CID659121,CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1-c1nc(=O)c2c([nH]1)c(C(C)(C)C)nn2C
+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID651252,O=C(NC1CCCC1)C(c1ccccn1)N(C(=O)c1csnn1)C1CC1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID701764,Cc1nn(C)c(C)c1Sc1ccc(Br)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2983586,CCCSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CC(C)OC(C)C3)cc2)n1
+,,,0.0,,,,,,,,,,,,,,CID660014,CCOC(=O)CCNc1n[nH]c(=O)[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID5339342,Cc1cc(C)c(C(=O)/C=C/c2ccc(C(C)C)cc2)c(=O)[nH]1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID3242077,O=C(NCCCN1CCCCCC1)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3241786,COC(=O)c1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2248191,COc1cc(/C=C2\SC(NS(=O)(=O)c3ccc(C)cc3)=NC2=O)c([N+](=O)[O-])cc1OC
+,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,CID650374,Cc1nn(CC(=O)NCCc2ccccc2)c(=O)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID74117,O=[N+]([O-])c1ccc(NN=C2CCCCC2)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID2385952,O=C(O)CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O
+,,,,,,,,,0.0,,,,,,,,CID3218425,Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2859526,COc1ccc2c(c1)nc(SCC(O)c1ccccc1)n2C
+,,,,,,,,,0.0,,,,,0.0,,,CID1247532,Cc1occc1C(=O)NCCc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2909867,Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/NC2=NC(=O)C(CC(=O)O)S2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1330292,CCOC(=O)c1c(-n2c(C)cc(C=C3C(=O)NC(=O)NC3=O)c2C)sc2c1CCCC2
+,,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID651825,CC(=O)Nc1ccccc1C(=O)N1CC(C)OC(C)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID896770,CC(=O)c1cccc(NC(=O)c2ccoc2C)c1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID663107,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC
+,,,,,,,,,,,0.0,,0.0,,,,CID1964312,COc1ccc(OCCNC(=O)C(c2ccccc2)c2ccccc2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID4047539,CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1
+,0.0,0.0,,,,,,,,,,,,,,,CID2961847,CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OCC)c1)C(C#N)=C(N)O2
+,,,,,,,,,0.0,0.0,,,,,,,CID850125,CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1F
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID2165076,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc2ccccc2s1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID1257160,Cc1cc(NC(=O)c2cc3ncc(Br)cn3n2)no1
+,,,,,,,,,,0.0,,,0.0,,,,CID9550900,CC1=C(C(=O)OCCOC(C)C)C(c2cc3c(cc2Br)OCO3)CC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID869984,CCCc1noc(-c2ccccc2Cl)n1
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+,,,,,,,,,,,,,0.0,,,,CID16192414,CCOC(=O)C1(CC2CC2)CCN(Cc2ccc(C(=O)OC)cc2)CC1
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+,0.0,,,,0.0,,,,0.0,,,0.0,,,,,CID758850,CCn1c(O)c(C(=O)NCc2ccccn2)c(=O)c2ccccc21
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID2925009,CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc3nsnc3c2)C1
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+,,0.0,,,,,0.0,,,,,,,,,,CID572920,Cn1nccc1C(=O)Nc1ccccc1C(=O)O
+,,,,,,,,,,0.0,,,,,,,CID4180949,O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCO1
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+0.0,,0.0,,,,0.0,,,,,,,,,,,CID666617,C=C(C)Cn1c(=O)c2c(nc3n2CCN3c2cccc(Cl)c2C)n(C)c1=O
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+,0.0,,,,,,,,,,,,,,0.0,,CID661911,Cc1ccc(N(CN2C(=O)C3CC=CCC3C2=O)C(=O)c2ccco2)cc1Cl
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+,0.0,,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,CID753105,Cc1cc2nc(C)c(Cc3ccccc3)c(=O)n2[nH]1
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+0.0,,,,,,0.0,,,,,,,,,,0.0,CID658359,CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F
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+,,,,,0.0,,,,,,,,,,,,CID1357172,COc1ccc(/N=C/c2ccc(CNS(=O)(=O)c3ccc(Cl)cc3)o2)cc1
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+,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID2836474,Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccccc2)n1-c1ccccc1
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+,0.0,,,,,,,,,,,,,,,,CID5307220,CCOC(=O)C1CCN(c2c(N3CCN(c4ccccc4OC)CC3)c(=O)c2=O)CC1
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+,0.0,,0.0,,,,,,,,,,,,,0.0,CID717936,CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)N1CCCCC1
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+,,,,,,,,,0.0,,0.0,,,,,,CID1253141,O=C(Oc1cccnc1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
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+,0.0,,,,,0.0,,0.0,,,,,,,,,CID2998046,O=C(COC(=O)C1(c2ccccc2F)CCCC1)N1CCN(C(=O)c2ccco2)CC1
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+,,,,,,,,,,,,,,0.0,,,CID726084,COC(=O)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID2482375,CC(C)NC(=O)CSc1nnc(COc2ccccc2Cl)o1
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+,,,,,,,,0.0,,0.0,0.0,,,,,,CID915406,C/C(=N\Oc1nc(C)cc(C)n1)c1ccc(Br)cc1
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+,,,,,,,,,,,0.0,,,,,,CID739859,Cc1ccc(Nc2nc3nonc3nc2N(C)C)cc1
+,,,,,,0.0,,,0.0,,0.0,,,,0.0,,CID2712659,O=C(NCCCN1CCCC1=O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID665625,COc1ccc(NC(=O)CCc2nc(-c3ccccc3F)no2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2961861,CC(=O)C1=C(C)OC(N)=C(C(=O)OC(C)C)C12C(=O)Nc1ccccc12
+,,,,,,,,,,0.0,,,,,,,CID2427627,CCN(CC)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3
+,,,,,,0.0,0.0,,,,1.0,,,,,0.0,CID2946740,COc1cc(C2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc(OC)c1O
+,,,,,,,,,0.0,,,,,,,,CID2969547,CC(C)(C)C1(c2ccccc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID662040,COC(=O)c1cc(Br)c(=O)n(-c2cc(C)on2)c1
+,,,,,,,,,,,,,0.0,,,,CID4057008,COc1ccc(CN2C(=O)c3c(c(C)n(C)c3C)C2C(=O)NC2CCC(C)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1738520,O=C1CCCC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2264891,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2900733,COc1ccc(OCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1
+0.0,,0.0,,,,,,,,,,,,0.0,0.0,,CID2959255,CCn1c(CC(=O)Nc2cccc(OC)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,,CID2366350,CCCCn1c(N)c(Sc2ccc(C)cc2)c(=O)[nH]c1=O
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID1518984,COC(=O)c1cc(=O)n(C2CC2)/c(=N/C2CC2)s1
+,,0.0,,,,,,,,,,,,,,,CID1295371,Cc1cc(C)n(-c2nnc(C)n2/N=C/c2ccccc2OCc2ccccc2Cl)n1
+,,0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,CID654873,Cc1ccc(C)c2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)cc12
+,,,,,,,,,,,,,0.0,,,,CID2920668,Cc1ccc(S(=O)(=O)NC(C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID1256693,Cc1nn(C)cc1CNC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID3236071,CC1CCCCC1NC(=O)c1ccc(N2CCCC2=O)cc1
+0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,CID1069012,Cc1c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,0.0,1.0,,,,,0.0,,,0.0,,,,,,CID653177,CCn1c(SCC(=O)Nc2cccc(NC(=O)c3cccs3)c2)nnc1-c1ccncc1
+,,,,,,,,0.0,,,,,,,,,CID873752,COC(=O)c1sc(NC(=O)CC(C)C)c(C(=O)OC)c1C
+,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,CID2107430,CCn1nc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)c2ccccc2c1=O
+,,,,0.0,,0.0,1.0,,,,,,,,,0.0,CID10168,O=C(O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O
+,0.0,0.0,,,0.0,,0.0,,,,,,,,,,CID652683,N#Cc1cn(CC(=O)O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID991553,COc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1OC
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID2999664,CCOC(=O)C1=C(C)NC(=O)NC1c1c(C)nn(-c2ccccc2)c1Cl
+,,,,,,,0.0,,,,,,,,,,CID2929612,Cc1nc(=O)c(-c2ccccc2)c(C)n1CC1CCCO1
+,,,,0.0,,,,,,,0.0,,,,,,CID600579,CCCOc1ccc(CCN2CCC(=O)NC2=O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID1774128,CC(C)(C)NC(=O)CS/C(=N\c1ccccc1F)NC#N
+0.0,,,,,,0.0,,,,,,,,,,,CID5309180,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2OC)cc1
+,,0.0,,,,,,0.0,0.0,0.0,,,,,,,CID2998533,CCOc1cc(C(=O)OCC(=O)c2c(C)[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID828558,CCCC(=O)n1nc(-c2ccccc2)nc1SC
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID2975931,CS(=O)(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
+,,,,,,,,,,,,,0.0,,,,CID4381372,Cc1nn(C)c(C)c1NC(=O)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID3101296,COc1ccccc1NC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID3128469,CC(=O)NCC(=O)NC(Cc1ccccc1)C(N)=O
+,,,,0.0,,,,,,,,,,,,,CID657958,CCCCCCS(=O)C1CS(=O)(=O)CC1S(=O)CCCCCC
+,0.0,,,,,,,,,,,,,,,,CID647944,CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2F)CC1
+,,,,,,,,,,,,,0.0,,,,CID2767750,COC(=O)C(C)Oc1ccc(-c2nccc(-c3cccs3)n2)cc1
+0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID3241002,O=C(CCn1nc(-c2ccccc2)ccc1=O)NCCCN1CCCCCC1
+,,,,,0.0,,0.0,,,,,,,,,,CID3239206,O=C(CCN1C(=O)COc2ccccc21)NCCCN1CCN(c2ccc(F)cc2)CC1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID2836236,CC(C)(C)NC(=O)C1CCC(C)(C(=O)O)C1(C)C
+,,,,,0.0,,,,,,,,,,,,CID5730589,Cc1ccc2occ(/C=C/C(=O)c3ccccc3O)c(=O)c2c1
+,,,,,,,,,,,0.0,,,,,,CID2495854,COc1ccccc1N1CCN(Cc2cc(C)c(C)cc2O)CC1
+0.0,,,,,0.0,,,,,,0.0,,,,0.0,,CID2030424,COc1cccc(CNc2ccc3c(c2)ncn3C(C)C)c1OC
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID665030,CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(Cl)cc2)CO1
+,,,,,,,,,,,,,,0.0,,,CID2767358,CN(C)/C=N/c1nc2nccc(-c3cccs3)n2n1
+,,,,,,,,,,,,,,,,0.0,CID3239702,CC1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1
+,,,,,,,,,,,,,,0.0,,,CID709436,CSc1nc(C)cc(Oc2ccc(=O)[nH]n2)n1
+,0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,CID987473,CCN(CCO)c1ccc(-n2c(N)c(C(=O)OC)c3nc4ccccc4nc32)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID33925,CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID657810,CCOC(=O)C(NC(C)=O)(OCc1ccc(F)cc1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID9586302,Cc1cccc(N/C(N)=N/c2nc(=O)cc(C(F)(F)F)[nH]2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID2953534,Cc1cc(Cl)c(S(=O)(=O)NCc2cccnc2)cc1OCC(=O)NC1CCCCC1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID653057,COc1cccc(CSc2nnc(-c3ccc(F)cc3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID3714373,O=[N+]([O-])c1ccc(Oc2cnc3ccccc3n2)cc1
+0.0,,,,,,,,,,,,,,,,,CID654644,O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID3236585,CCn1c(=O)cc(SCC(=O)N2CCC(C)CC2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4194222,CCOc1ccc(NC(=S)NCCCN2CCOCC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID5389878,COc1ccc(C2/C(=C(/O)c3ccc4c(c3)CC(C)O4)C(=O)C(=O)N2CCN2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5802504,CCOc1ccc(N/C=C/C(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID769329,CCOc1ccc(NC(=O)Nc2cc(C)on2)cc1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID3238016,CCN(CCNC(=O)C1CCN(S(C)(=O)=O)CC1)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID1263508,COc1cc(-n2nnnc2SCC(=O)N2CCN(c3ccc(F)cc3)CC2)c(OC)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2328634,Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C1\N=C(c2ccc(OC(C)C)cc2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID1211342,O=C(c1cc(C(=O)c2ccco2)cc(C(=O)c2ccco2)c1)c1ccco1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID5771313,COC(=O)C1=C(C(=O)c2ccccc2)C(c2cccs2)N2NN=NC2=N1
+,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID778447,Cc1[nH]c2ccccc2c1-c1nc2ccccc2[nH]1
+,,,,,,,0.0,,,,,,,,0.0,,CID5308262,CCOC(=O)N1CCC(NC(=O)CN2C(=O)CCSc3ccccc32)CC1
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID1257531,CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCOCC3)cc2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1858219,O=C1/C(=C/c2cccnc2)Oc2cc(OS(=O)(=O)c3ccc(F)cc3)ccc21
+,,,,,,,,,0.0,,,,,,,,CID1613621,CCOc1ccc2nc(Nc3nc(=O)cc(CSc4nnnn4-c4ccccc4)[nH]3)nc(C)c2c1
+,,,,,0.0,,,,,,,,,,,,CID1449685,Cc1cc(C)cc(-n2nnnc2SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID972481,O=C(Cn1cnc2ccccc21)NCc1ccccc1
+,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID773130,O=C(O)c1ccc(N2CCCC2=O)cc1
+,,,,,,,,,,,0.0,0.0,,,0.0,,CID646730,COCCCNC(=O)c1cc(OC)c(OC)c(OC)c1
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+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID1112830,O=C(c1ccccc1)N1CCN(Cc2ccccc2Br)CC1
+,0.0,,0.0,,,,,0.0,0.0,,,,,,,,CID652272,CC(=O)Nc1ccc(C(=O)CSc2nnnn2C(C)C)cc1
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2999089,OC(c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1
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+,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID664443,CSc1nnnn1-c1ccc(C(=O)OCC(=O)N2CCOCC2)cc1
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+,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID3242498,Cc1cccc(-n2nnc(C(=O)NC3CCCc4ccccc43)c2N)c1
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+,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,CID873063,Clc1ccc(Cc2noc(-c3cccs3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2788147,Cc1n[nH]c(N/N=C/C2CC=CCC2)nc1=O
+,0.0,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID1069561,Cc1sc2ncnc(-n3cnc4ccccc43)c2c1C
+,,0.0,,,,,,,,0.0,,,,,,,CID655016,O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)Cc2ccco2)cc1
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+0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,CID655831,Cc1cccnc1NC(=O)COc1ccc2oc3c(c2c1)CCCC3
+,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID1214281,CC1(C)CC(=O)c2cnc(NC(=O)CSc3nc4ccccc4o3)nc2C1
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+,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,,CID2595061,O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(-c2nnc3n2CCCCC3)c1
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+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID2904487,COCC(C)NS(=O)(=O)c1ccc(OC)cc1
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+,,,,,,,,0.0,,,,,,,,,CID3090413,CC(=O)Nc1ccc(S(=O)(=O)CCC(=O)O)cc1
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+,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2970630,CC(NC(=O)C1CCC1)c1ccc2c(c1)OCO2
+0.0,,,,,,,,,,,,,,,,,CID4530998,CC1Cc2nc(SCC(=O)N3CCCC3)n(C)c(=O)c2S1
+,,,,,,,,0.0,0.0,,,,,,,0.0,CID1298081,COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)cc1Cl
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+,,,,,,0.0,,,,,,0.0,,,,0.0,CID2997176,COC(=O)C1C(=O)c2c([nH]c(C(=O)OCC3CCCO3)c2C)CC1C
+,,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID654552,O=C(CSc1nnc(-c2ccco2)n1CC1CCCO1)N1CCCC1
+,,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID2219819,O=C(CCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2
+,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID664233,COc1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
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+,,,,,,,0.0,,,,,,,,0.0,,CID651624,CC(C)(C)OC(=O)N1CCCC(C(=O)CC#N)C1
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+0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,CID799677,CCOC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID2238148,COc1ccc(Br)cc1-c1noc(-c2ccccc2)n1
+0.0,,,,,,,,,,,,,,,,,CID2999949,O=C1CC(N2CCN(CCc3ccccn3)CC2)C(=O)N1c1ccc(Cl)cc1
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+,,0.0,,,0.0,,,,,,,,,0.0,,,CID2998803,COc1ccc(CCN(C)C(=O)CSc2nccn2C)cc1OC
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID3243724,CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccn3)CC2)C1
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+,,,,,,,,,,,,,,0.0,,,CID1320084,COc1cc(C(=O)Nc2nnc(C(C)(C)C)s2)c([N+](=O)[O-])cc1OC
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID2997550,O=C(CN1C(=O)NC(Cc2ccccc2)C1=O)Nc1ccccc1
+,,,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,CID3244696,CCn1c(=O)n(CC(=O)N2CCN(c3ccccc3F)CC2)c(=O)c2ccccc21
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID3238783,CCCn1c(C)cc(=O)c2cc(NC(=O)c3cnccn3)ccc21
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID3245021,Cc1c(C(=O)N2CCc3ccccc3C2)sc2nc(-c3ccccc3)cn12
+,,,,,,,,,,,,,,,0.0,,CID6398931,CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccco2)c1
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID295346,CN(C)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16192459,COc1ccc(OC)c(Cc2nnc(CCC(=O)NC3C4CC5CC(C4)CC3C5)o2)c1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID2160470,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(S(=O)(=O)N3CCCCC3)cc1)CS(=O)C2
+0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,,CID649461,Cc1ccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID1243721,CCOC(=O)CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1C
+,,,,,,,,,,,,,,0.0,,,CID4613734,O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCc1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,,CID3238347,CC(=O)OC1CC(C)(C)N(OC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)(C)C1
+,,,,,,,0.0,,,,,0.0,,,,,CID659416,c1coc(-c2nc3nc4ccccc4n3nc2-c2ccco2)c1
+,,0.0,0.0,,,,,,,,,,,,,,CID660103,CCCOc1ccc(C2C3CN(C(=O)OCC)CC=C3C(C#N)=C(N)C2(C#N)C#N)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID3183841,Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1
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+0.0,,,,,,,,,,,,,,,,,CID3242611,CCc1ccc(-c2nc(CN3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)c(C)o2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID4307375,CN(CCCNC(=O)C1CCC(=O)N1Cc1ccc(F)cc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID6619966,CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(C)cc2)CCS3)CC1
+,,,,,0.0,,,,,,,,,,,,CID1477684,Cc1nc(-c2ccccc2)sc1-c1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
+0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,CID2920510,COc1ccc(Cc2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2963989,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCN(Cc4ccccc4)CC3)CC2)c1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID653101,CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)CC1
+,,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0,CID651965,COc1ccccc1N1CCN(C(=O)CSc2nnc(-c3ccoc3C)o2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2353543,COc1cccc(C(=O)OCC(=O)NCCc2ccccc2)c1OC
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID650383,COc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)cc2c1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,,CID2272355,COC(=O)c1ccccc1NC(=O)CSc1ccccc1
+0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID752925,O=C(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID1035114,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCCC3)C2)cc1
+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID971081,CC(=O)n1nc(-c2cccnc2)nc1N
+0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,CID764751,Cc1ccc(S(=O)(=O)CNC(=O)c2ccccc2)cc1
+,,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID3243465,CCOC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(CC)C(=O)N2)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1095027,Nc1ccc(N2CCOCC2)c2nonc12
+,,,,,,,,0.0,,,,,,,,,CID95446,CN(C)c1ccc(C(=O)C(O)c2ccccc2)cc1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID891796,Cc1cc(C)c(C)c(S(=O)(=O)NCc2cccnc2)c1C
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID4622,CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
+,,,,,,0.0,,,,0.0,,,,,,,CID2998513,Cc1ccc(OCCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1
+,,,,,,,,0.0,,,,,,,,1.0,CID5310522,COC(=O)c1ccc(CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)o1
+,,,,,,,,0.0,,,,,,,,,CID183411,COc1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID4102671,COc1ccc(N)cc1C#N
+,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID651053,O=C1CSC(NC2CCCCC2)=N1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2940373,CCOC(=O)C1CCCN(C(=O)Cc2ccc(C)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID1164574,Nc1cc(=O)[nH]c(=S)n1-c1ccccc1
+,,,,,,,0.0,,,0.0,,,,,,,CID974184,CCc1cc(=O)oc2cc(OC(C)=O)cc(OC(C)=O)c12
+,,,,,,,,,,,,,,0.0,,,CID1258011,Cc1nn(C(=O)Cn2cc([N+](=O)[O-])cn2)c(C)c1Cl
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID888971,O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1
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+,,,,,,,,,0.0,,,,,,,,CID6153151,O=C1OC(c2ccccc2)=N/C1=C\N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1255346,Cc1ccc(C(=O)O)cc1NC(=O)CCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID661818,CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)C(C)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1380356,C/C(=N\NS(=O)(=O)c1ccc(Br)cc1)c1cccs1
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0,CID725112,CCOC(=O)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID2981105,COC(=O)c1cc(NC(=O)CC2SCCNC2=O)cc(C(=O)OC)c1
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+,0.0,,,,,,,,,,,,,,,,CID2057546,CCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID2930751,CCOc1ccc(C(C)NC(=O)CCC(=O)O)cc1
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+,,,,,,0.0,,,,,,,0.0,,,,CID2770862,CC12CCC(C(=O)O)(C/C1=N\O)C2(C)C
+,,,,,,,,,,,0.0,,,,,,CID2869079,CNC(=S)N(Cc1ccc(OC)cc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID5909148,CC1=CC(=O)/C(=C2\CC(c3ccco3)=Nc3ccccc3N2)C=C1
+,,,,,,,,0.0,0.0,,,,,,,,CID1918086,COCCNC(=O)CN(CCc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1272980,CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCO4)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID800023,O=[N+]([O-])c1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID1262376,CC(=O)Nc1ccccc1C(=O)OCc1ccc(C(=O)c2ccccc2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID5310213,COC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID1225264,Cc1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c1-c1ccc(C(C)(C)C)cc1
+,,,,,,,,,,,0.0,,,,,,CID982681,COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1
+,,,,,,,,,0.0,,,,,,,,CID6619484,CCCN1Cc2cccc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2C1=O
+,,,,,,0.0,,,,,,,,,,,CID3244429,O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)Nc1ccc2c(c1)OCCO2
+,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID650274,O=C(Nc1ccccc1)c1ccccc1OCC(O)CN1C(=O)c2ccccc2S1(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID2056575,COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\C(=O)c3ccc(Cl)cc3)N1CC2
+,,,,,,,,,,,,,,0.0,,,CID3227645,CC(C)C(OC(=O)C1=Cc2ccccc2OC1)C(=O)NC1CCCC1
+,,,,,,,,,,,,,,,,0.0,CID3255105,CCCCCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID1345557,COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1
+,0.0,0.0,,,,,,,,,,,,0.0,0.0,,CID667344,COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccccc3)CC2)n1
+,,,,,,,,,,,,,,0.0,,,CID1523546,Cc1cc(C)n2cc(CSc3ncn[nH]3)nc2n1
+0.0,,,,,0.0,,,,,,,,,,,,CID5307477,CC1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)CC1
+,,,,,,,,,,0.0,,,,,0.0,,CID5742457,COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC)cc2)C1c1ccc(O)c(OC)c1
+,0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,CID227519,O=c1ncnc2n(Cc3ccccc3)[nH]cc1-2
+,,,,,,,0.0,,,,,,0.0,,,,CID3240731,CCOc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c2cc1OCC
+,,,,,0.0,,,,0.0,,,,,,,,CID2354941,C=CCNc1sc(C(=O)c2ccccc2)c(N)c1-c1nc2ccccc2s1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID647107,COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID1292029,Nc1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID6324577,CC1(C)CC2CC(C)(CN2C(=O)C2=C/C(=C3/C=CC=CC3=O)ON2)C1
+,,,,,,0.0,,,,,,,,,,,CID854805,CCOC(=O)c1nc(S(C)(=O)=O)ncc1Cl
+,,,,,0.0,,,,,,,,,,0.0,,CID2263885,COCCNC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID664437,C=CCn1c(N)c(C(=O)OC(C)CC)c2nc3ccccc3nc21
+,,,,,,,,,,,,,,0.0,,,CID2438992,CCCCC(=O)OCC(=O)NC(=O)NC(C)C
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+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID2872174,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)o1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID729145,CCOc1ccc(Cc2nnc(N)s2)cc1OCC
+0.0,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID655576,O=C(CCn1nnc(-c2cccs2)n1)NCc1ccccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID1225696,Cc1ccc(Cn2nc(C)c(NC(=O)C3CC3)c2C)cc1
+0.0,0.0,,,,,,,,,,0.0,,,,,,CID660526,CCOC(=O)Cn1c(=O)c2c(nc(N3CCCCC3)n2Cc2ccccc2)n(C)c1=O
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID935042,Cc1nc2nc(COc3ccccc3)nn2c(C)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID829569,Cc1noc(C)c1CSc1ncnc2sc3c(c12)CCCCC3
+,,,,,,,,,,,,,,0.0,,,CID2585697,Cc1ccccc1Nc1nnc(SCC(=O)NCc2cccs2)s1
+,,,,,,,,,,,,,0.0,,,,CID711933,CC1(C)Cc2ccccc2C(CSc2ccccc2C(=O)O)=N1
+,,,,,,,,,,,,,0.0,,,,CID694613,Cc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID832190,CCOc1nc(Nc2ccc(OC)cc2)nc(OCC)n1
+,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,CID681940,Cc1nc2ccccn2c1C(=O)NC1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID847295,COc1ccc2oc(C)c(C(=O)NN)c2c1
+,,,,,,,,,,,,,,0.0,,,CID986232,CCOC(=O)c1c(C)nn(S(=O)(=O)c2ccccc2)c1NCc1ccccc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3245629,O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nc3n(c(=O)c2c1)CCCC3
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID3236248,CCCCn1c(SCC(=O)Nc2ccc(OC)cc2)nc2ccc(N3CCOCC3)cc2c1=O
+,,,,0.0,,0.0,,,,,0.0,,,,0.0,,CID2211396,Fc1ccccc1OCCSc1nnnn1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID16191211,Cc1nn(C)cc1C(C)NC(=O)c1cc(COc2c(F)cccc2F)on1
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+,,,,,0.0,,,,,,,,,,,,CID4298773,COc1cccc(NC(=O)c2ccc(-n3cccn3)nc2)c1
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+,,,,,,,,,,,,,0.0,,,,CID3325289,CC(O)C(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2
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+0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,0.0,CID660359,COC(=O)c1c(NC(=O)c2nn(C)cc2Cl)sc2c1CCCC2
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+,0.0,,,,,,,,,,,,,,,,CID661667,CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1CCC2
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+,,0.0,,0.0,,,,,,,,,0.0,0.0,,,CID730318,O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccco1
+,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0,,CID705847,Cc1ccccc1OCc1nc(-c2ccccc2)no1
+,,,,,,,0.0,,,,,0.0,0.0,,,,CID5308238,COCCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5049897,Cc1nnc(SCCn2c(N3CCCC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)s1
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+,,0.0,0.0,,,,,,,,,,,,,,CID666038,Cc1cc(C)c2c(n1)nn1c(-n3ccnc3)cc(C)nc21
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+,,,,,,,,,,,,,,0.0,,,CID778438,Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)o1
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+,,,,,,,,0.0,,,,,,0.0,,,CID973775,Cc1nn(C(=O)N2CCOCC2)c(C)c1C
+,,,,,,,,0.0,,,,0.0,,,,,CID5310577,COc1ccccc1N1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2142936,C=CCSc1nnc(-c2nnc(SCC=C)n2-c2ccccc2)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1298817,Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)nc2c1
+,0.0,,,,,0.0,,0.0,,,0.0,,,,,,CID2812750,Cc1noc(C)c1S(=O)(=O)NC1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1481894,C/C(=N\OC(=O)c1ccc(Cl)cc1)c1nccs1
+,,,,,,0.0,,0.0,,,,,,,,,CID3239126,COc1ccccc1N(CN1CCCC1=O)C(=O)COc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID662451,CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID660196,O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1cccc(Cl)c1)c1ccco1
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+,,,0.0,,,,,,,,,,,,,,CID5310097,Cc1ccc(-c2nnc3ccc(SC(C)C(=O)O)nn23)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID5389608,C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O
+,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0,CID747657,O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1cccnc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID655536,O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc(Cl)cc1)NC1CCCCC1
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+,,,,,,,,,,,,,,0.0,,,CID1078569,CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1934041,COC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)Oc1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID2301546,COc1ccc(CCNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1OC
+,,,,,,,,,,,,,,,,0.0,CID3242936,CCn1c(CC(C)C)n[nH]c1=S
+,,,,,,,,,,,,,,0.0,,,CID2882204,Cc1ccc2nc(N/N=C/c3ccc([N+](=O)[O-])o3)nc(-c3ccccc3)c2c1
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+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,CID2854623,COc1cccc(C2CC(=O)NC(SC)=C2C#N)c1
+,,,,,,,,,,,,,0.0,,,,CID2962073,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)C2(O)C(F)(F)F
+,,,,,,,,,,,,,,,,0.0,CID497976,O/N=C(\c1ccc(Cl)cc1)c1cc2ccccc2o1
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+,,,0.0,0.0,,,,,,,,,,,,0.0,CID3239329,Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N(C)Cc3ccco3)c(=O)c2c1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID648659,CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID2921826,CC(=O)Nc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID1477455,COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1
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+,,,,,,,,,,,0.0,,,0.0,,,CID1818824,CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C
+,,,,0.0,,,,,,,,,,,,,CID651467,CCn1nnc(-c2ccccc2NC(=O)c2ccc(-n3cnnn3)cc2)n1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID1478757,CCn1c(-c2csc(-c3ccccc3)n2)n[nH]c1=S
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID655797,CCc1cccc2c(C#N)cn(CC(=O)NCCOC)c12
+0.0,,,,,0.0,0.0,,,,,,,,,0.0,0.0,CID665782,Cc1ccc(C)c(NC(=O)CSc2nnc(C3CCCN3C(=O)OC(C)(C)C)o2)c1
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+,,,,,0.0,,,,,,,,,,,,CID867718,O=C1CC(c2ccccc2)CC(=O)C1=CNCc1ccccc1Cl
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+,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0,,CID652083,CCc1nnc(NC(=O)CSc2nnc(-c3ccoc3C)n2-c2ccccc2)s1
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+,,0.0,,,,,0.0,,,,,,,,,,CID659394,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCCCC1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3243308,COc1ccc(C2=NOC(C(=O)Nc3cc(Br)ccc3O)C2)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID3157600,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCc2c[nH]c3ccccc23)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID775345,COc1cc(C(=O)NCc2ccco2)c([N+](=O)[O-])cc1OC
+,0.0,,,,,,,,,,0.0,,,,,,CID649892,C=CCNc1nc(NCc2ccco2)nc(OCC)n1
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+,,,,,,0.0,,,,,0.0,0.0,,,0.0,,CID745548,O=C(c1c(-c2ccccc2)oc2ccc(O)cc12)N1CCOCC1
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+,,,,,,,,,,,,,,,0.0,,CID660645,CC(=O)NCCOc1ccc(C(=O)O)cc1
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+,,,,,0.0,,,,,,,,,,,,CID980183,Cc1ccc(-c2nc3sccn3c2NC(=O)c2ccc(Cl)cc2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID4045703,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2102610,COc1ccc(CC(=O)Nc2ccc3nc(SC)sc3c2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1000184,COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3245560,Cc1ccc(S(=O)(=O)NCCC(=O)NCCN2CCCCCC2)cc1
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,CID645407,O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NCc1ccco1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID898091,COC(=O)Nc1ccc(C)cc1NC(=O)OC
+,,,,,,,,,,,,,0.0,0.0,,,CID2340376,Cc1cc(NC(=O)CSc2n[nH]c(=O)[nH]c2=O)ccc1Br
+,,,,,,,,,,,,,0.0,,,,CID4299261,CC(NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID3237155,COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12
+,,0.0,,,,0.0,,0.0,,,,0.0,,,,,CID1247750,Cc1cc(C(=O)NCc2cccs2)cs1
+,,,,,0.0,,,,,,,,,,,,CID853375,Cc1ccc(-c2nc3ccc(C)cn3c2NC(=O)c2ccccc2)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2815906,CC(=O)Nc1ccccc1OCC1CC(c2ccccc2)=NO1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID645296,Cc1cc(C)n(-c2nnc(C)n2NS(=O)(=O)c2ccc(F)cc2)n1
+,0.0,,,,,0.0,,0.0,,,,0.0,0.0,,,,CID772520,COC(=O)c1nnn(-c2ccccc2)c1N
+,,,,,,,,,,,,0.0,,,0.0,,CID5307217,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1946933,COc1ccc(/C=C(\NC(=O)c2cccs2)C(=O)Nc2ccc(C)cc2)cc1OC
+,,,,,,0.0,,,,,,,,,,,CID2947589,COCCn1c(COC)nc2ccccc21
+,0.0,,,,,,,1.0,,,,0.0,,,,,CID2585702,Cc1ccccc1Nc1nnc(SCC(=O)NC(=O)NCc2ccco2)s1
+,,,,,0.0,0.0,0.0,,,,,,,,0.0,0.0,CID2146365,CCOC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2127512,O=C(Nc1nc(-c2ccncc2)cs1)C1c2ccccc2Oc2ccccc21
+,,,0.0,,,,,,,,,,,,,,CID870761,CCN(Cc1ccccc1)Cc1c(F)cccc1F
+,,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID2120718,O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(C2c3ccccc3-c3ccccc32)CC1
+,,,,,,,,,,,,,0.0,,,,CID1130278,Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3C)o2)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2854580,COc1ccc(CCNC2CC(=O)N(CCc3ccccc3)C2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2966541,Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID2206385,CCOC(=O)c1cccc(NC(=O)Nc2cc(OC)ccc2OC)c1
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID2813774,CCOC(=O)Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O
+,,,,,,,,,,,,0.0,,,0.0,,CID3241438,COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccccc3C)c2N)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID3213865,COc1ccc(-n2c(SCC(=O)Nc3nc(C)cs3)nnc2-c2ccoc2C)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID649127,Cc1c(C#N)c2ccccc2n1CC(=O)N1CCCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2124020,COc1ccc(NC(=O)COc2ccc(/C=N/n3c(C)nnc3C)cc2OC)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID1772756,CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3cccs3)c2c1N
+,,,0.0,,,,,,,,,,,,,,CID2057402,CCCCCc1nnc(NC(=O)OCCC)s1
+0.0,,0.0,,,,,0.0,,,0.0,,,,,,,CID3239512,Cc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccccc4)CC3)sc2n1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID653338,Cc1c(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cnn1C
+,,,,,,,0.0,,,,,,,,,,CID5307913,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)N2CCCCC2)C1
+,,,,,,,,0.0,,,,,,,0.0,,CID804306,CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2219119,Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)NC3CC3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID902152,CCC(=O)c1ccc(O)c(CC=C(C)C)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID1912686,COc1cc(/C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c([N+](=O)[O-])cc1OC
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID663426,CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1
+,,,,,,,,,,,,,,0.0,,,CID5308844,CCCNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
+,0.0,,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,CID667378,COc1ccc(-c2noc(CCC(=O)NCc3cccnc3)n2)cc1
+,,,,0.0,,,,,,0.0,0.0,,,,,,CID1259765,O=C(NCc1ccco1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12
+,,,,,,,,,,,0.0,,,0.0,,,CID5180144,COC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c([N+](=O)[O-])c1
+,,,,,,0.0,,,,,,,,0.0,,,CID3235690,CCOCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3
+,,,,,,,,,,,,0.0,,,,,CID5771319,CC1=C(C(=O)Nc2cccnc2)C(c2ccncc2)N2NN=NC2=N1
+,,,,,0.0,,,,,,,,,,,,CID1476747,c1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID646768,Cc1cc(C)nc(N2CCC(C(=O)NCCc3ccc(F)cc3)CC2)n1
+,,,,,,,,,,,,,,0.0,,,CID846194,Cc1ccc(-c2nnn(CC(=O)Nc3nnc(C(C)C)s3)n2)cc1
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID660295,CN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,,,,,,,,,,,,0.0,,,,CID4317171,O=[N+]([O-])c1cc([N+](=O)[O-])c2/c(=N/c3ccccc3)n(-c3ccccc3)n(O)c2c1
+,,,,,,0.0,,,,,,,,,,,CID2346958,Cc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)s1
+,,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,,CID651490,O=C(O)CSCC(=O)Nc1cccc2ccccc12
+0.0,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,CID667093,COC(=O)c1ccccc1NC(=O)CSc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID4027653,CCOC(=O)C(C)/C(C)=N/NC(=O)c1cc2ccccc2cc1O
+,,,,,,,,,,,0.0,,,,,,CID2978939,Cc1ccc(N(C(C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)S(C)(=O)=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2427433,COc1ccc(N2CCN(CCC(N)=O)CC2)cc1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID3236973,CCOc1ccccc1CNS(=O)(=O)c1ccc2[nH]c(=O)sc2c1
+,0.0,,,,,,,,,,,,,,,,CID650087,Cc1cc(C)nc(SCc2nnc(SCC(=O)N3CCOCC3)o2)n1
+,,,,,,,,,,,,,,0.0,,,CID30897,Cc1ccccc1-c1nnc(-c2ccccc2C)o1
+,,,,,,,,,,,,,0.0,,,,CID878901,Cc1ccc(NCCC(=O)c2cccs2)cc1Cl
+,,,,,,,,,,0.0,,,,,,,CID3218000,O=C(NC1CCCCC1)NC1CC2CCCC(C1)N2C1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID678598,O=C(Cc1ccccc1)c1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID2765160,O=S(Cc1ccccc1)CC(O)(c1ccccc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1075560,COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID9551427,CN(CC(=O)NCc1ccc(Cl)cc1)S(=O)(=O)c1cccc2cccnc12
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID654299,COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CC(C)OC(C)C3)n2)cc1OC
+,,,,,0.0,,,,,,,,0.0,,,,CID1480675,O=C(O)c1ccc(SCc2cnc(Cl)s2)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID715198,Cc1cc(C)n2nc(SCC(=O)Nc3ccc(F)cc3)nc2n1
+,,,,,,,0.0,,,,,,,,,,CID5310038,O=C(CSc1ccc2nnc(-c3cccnc3)n2n1)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID1866964,COCCNC(=S)N1CCC(Cc2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID1281344,O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,,0.0,,,,,,0.0,,,,0.0,0.0,,CID651265,Cc1ccc(Cn2c(Sc3ncccn3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID5308542,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)N2CCN(c3ccccn3)CC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2890412,CC(=O)N1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CC1
+,,,,,0.0,,,,0.0,,,0.0,,,0.0,,CID3238185,CC(C)NC(=O)CCCc1cn(C)c2ccccc12
+,,,,0.0,,,,,0.0,,,,0.0,,,,CID896369,CCCN(CCC)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID649870,COCCNC(=O)C(c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2892598,CC(C)c1ccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
+,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2218927,Cn1c(SCC(=O)c2ccc3c(c2)OCO3)nnc1-c1ccccn1
+,,,,0.0,,,,0.0,,,,,,,,,CID1319493,O=S(=O)(Nc1nc2ccccc2s1)c1ccc(Br)s1
+,,,,,,,,,,,0.0,,,,,,CID2235840,O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)c(Cl)c1)c1ccco1
+,,,0.0,,,,,,,,,,,,,,CID944114,Cc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1
+,0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,,CID655003,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID1454592,Cc1cc(C)cc(NC(=O)N(CCc2nc3ccccc3[nH]2)C2CCCC2)c1
+,,,,,,0.0,,,,,,,,,,,CID5389870,Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID4555739,CSc1ncc(C(C)=O)c(C)n1
+,,,,,,,,,,,,,,0.0,,,CID6465428,O=C(Nc1ccccc1F)Nc1ccccc1Br
+,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,CID5308388,CCC(C)OC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2
+,0.0,,,,,,,,,,,,,,,,CID3533870,Cc1cccc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)c1
+0.0,,,,0.0,,0.0,,,0.0,,,,,,,,CID2293923,COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccccc2)CC1
+,,,0.0,,0.0,,,,,,,,0.0,,,0.0,CID2559969,COc1ccccc1Cn1c(=O)c2ccccc2n2c(Sc3ncnc4sccc34)nnc12
+,,,,,0.0,,,,,,,,,,,,CID4176489,O=C(c1ccc(NC2=NC3CS(=O)(=O)CC3S2)cc1)N1CCN(Cc2ccccc2)CC1
+0.0,,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,CID645766,CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccco2)n1
+,,0.0,,,,,,,,,,0.0,,,,,CID647856,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCC1)OCO3
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID2885975,COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID2234663,CNC(=O)CCCc1nc(-c2ccccc2Cl)no1
+,,,,,,,,,,,,,,0.0,,,CID967616,COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C)S(C)(=O)=O
+0.0,,,,,,,,,,,,,,,0.0,,CID5308335,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(Br)cc1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID653436,CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCC(C)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2531992,CCOC(=O)c1c(NC(=O)CSc2nncs2)sc(C)c1C
+0.0,,,,,,,,,,0.0,,0.0,,,,0.0,CID655034,COc1cc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)cc(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID2983260,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)c(OC)c2)C1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID3241774,CCOC(=O)CC1=C(C(=O)OCC)C(c2ccc(C)o2)C(C#N)=C(N)O1
+,,,,,,,,,0.0,,0.0,,0.0,0.0,,,CID753628,COc1cccc(CNc2cnc3ccccc3c2)c1O
+,,,,,,,,,0.0,,,0.0,,,,,CID648000,CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1
+,,,,,,,,,,,,0.0,,,,,CID5307163,CC1CCCCN1CCCNC(=O)C1CCN(c2nc3ccccc3o2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2511000,Cc1ccc(C)c(S(=O)(=O)N/N=C/c2cccnc2)c1
+,,,,,,,,,,,,,0.0,,,,CID766935,COc1ccc(/C=N/S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID730596,CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID921915,Cc1ccc(C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-]
+0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,,CID664681,COc1ccccc1NC(=O)CSc1ncnc2c1oc1ccccc12
+,,,,,,,,0.0,,,,,,,,,CID1194279,Cc1cc(=O)oc2cc(OCC(=O)Nc3nnc(C(C)C)s3)ccc12
+0.0,,,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,CID667129,Cn1c(=O)oc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21
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+,,0.0,,,,0.0,0.0,,,,,,0.0,,,,CID2052933,COc1ccc(-c2[nH]c(N3CCCC3)nc(=O)c2C#N)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID938501,Cc1cc(C)nc(NC2=NCCN2C(=O)NC2CCCCC2)n1
+,,,,,,,,,,,0.0,,,,,,CID1679470,O=C(CCC(=O)Nc1ccccc1)N/N=C/c1ccco1
+,0.0,,,0.0,,,,,,,,,,0.0,0.0,,CID2574472,CNC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID4067264,CCOC(=O)c1csc(NC(=O)C(C)(C)C)n1
+,,,,,0.0,,,,,,,,,,,,CID874863,Clc1ccc(-c2noc(CCc3ccccc3)n2)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2954124,CCn1cc(NC(=O)Nc2ccc(OC)c(OC)c2)c(C(N)=O)n1
+,0.0,,,,,0.0,,0.0,,,0.0,0.0,0.0,,,,CID645795,CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1
+,0.0,,,,,,,0.0,0.0,,,,,,,,CID645804,CC(C)C(c1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID646109,Cc1cc(-c2ccccc2)nc(N2CCC(C(=O)NC(C)C)CC2)n1
+,,,,,,,,,,,,,,0.0,,,CID691554,O=C(O)c1cccc(Oc2ccccc2[N+](=O)[O-])c1
+,,,,,0.0,,,0.0,0.0,,0.0,,,,,,CID2978410,COc1ccc(NC(=O)CC2C(=O)N(c3ccc(OC)cc3)C(=O)N2C(C)C)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID3149151,CCNc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
+,,,,,,,,,,,0.0,,,,,,CID835134,O=C(NCCN1CCOCC1)c1ccc(F)cc1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID2125344,Nc1nc(CN2CCOCC2)cs1
+,,,,,,,,,0.0,,,,,,,,CID4587819,Cc1cc(=O)oc2cc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)ccc12
+,,,,,,0.0,,,0.0,,,,,,,,CID5310086,COC(=O)c1ccsc1NC(=O)C1=COCCO1
+,,,,,,,,,,,,,,0.0,,,CID2363696,O=C(O)Cc1sc(-c2cccnc2)nc1-c1ccc(Br)cc1
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID752352,c1ccc(NCc2nc(-c3ccccc3)no2)cc1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID657922,Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CN(Cc1ccccc1)CC4
+,,0.0,,,,,,,,,,,,,0.0,,CID775256,COc1ccc(C)cc1NCc1cccc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2846281,COc1ccc(CC(C)N2CCN(c3ccccc3)CC2)cc1OC
+0.0,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,CID655713,CCOC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2CC)c1
+,,,,,,,,,,,,,,0.0,,,CID1306926,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1[N+](=O)[O-]
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID761591,Cc1nnc(C)n1/N=C/c1ccc(-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID760399,Cc1cc(C(=O)N/N=C/c2ccccc2[N+](=O)[O-])c(C)o1
+,,,,0.0,,,,,,,,,,,,,CID649170,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,CID3236485,O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCC2(CC1)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID737612,CCOC(=O)c1c(NC(=O)c2ccoc2C)sc(C)c1C
+,,,,,,,,,,,0.0,,,,,,CID823799,CCCC(=O)NC(=S)Nc1cccc(C(C)=O)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2414478,CCCCNS(=O)(=O)c1ccc2nc(SCC(=O)c3ccccc3OC)[nH]c2c1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0,CID2243534,CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID666555,COc1cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)cc(OC)c1OC
+0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID650651,O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID2067401,O=C(CNC(=O)Cc1ccccc1)NCC(=O)OCC(=O)c1ccccc1Cl
+,,,0.0,,,0.0,,,,,,0.0,,0.0,,,CID5053070,COc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN(C)C)c1
+,,,,,,0.0,,,,0.0,,,,,,,CID657478,O=c1c2cccc3c(N4CCOCC4)ccc(c32)c2nc3ccccc3n12
+,,,0.0,,,,0.0,0.0,,,,,,0.0,,,CID654497,O=C(NCCC(=O)N1CCNC1=O)OCc1ccccc1
+0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID647220,O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0,CID647165,C=CCSC1=C(C#N)C(c2ccccc2OC)CC(=O)N1
+,,,,,,,,,,,,,,0.0,,,CID1227256,CCC(=O)Nc1ccc(SC#N)cc1C
+,,0.0,,,,,,,,,0.0,,,,,,CID645091,Cc1cnc(C(=O)Nc2ccccc2-c2ccc(C)o2)cn1
+,,,,,,,0.0,,,,,,,,,,CID5309672,COc1ccccc1S(=O)Cc1ccc(C(=O)NC2CCCC2)o1
+,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,,CID3240708,COc1cccc(NC(=O)CSc2nc3nnc(C)c-3c(N)n2-c2cccc(OC)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID842184,C/C(=N\NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc(C)s1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID650533,CC(C)(C)n1nnnc1C(c1cccc(C(F)(F)F)c1)N1CCOCC1
+0.0,,,,,,,,,,,,,,,0.0,,CID649190,COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3F)CC2)cc1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID2676414,COC(=O)c1cccc(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
+,,,,,,,,0.0,,,,,,,,,CID1905702,CCCCCn1c(NC(=O)c2ccco2)c(S(=O)(=O)c2ccc(C)cc2)c2nc3ccccc3nc21
+0.0,,,,,,,,,,,,,,,,,CID2957274,CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cc(OC)cc32)C(C)=CC1(C)C
+0.0,,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID2851847,CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
+,,,,,,,,,,,,0.0,,,,,CID3244164,COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2C2CCCC2)cc1
+0.0,,0.0,,,,,0.0,,,0.0,,,,,,0.0,CID653804,COc1ccc(NCc2nnc(SCC(=O)N3CCCc4ccccc43)n2C)cc1
+,,,,,,,,,,,,,,,0.0,,CID5310492,CCSc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2C)s1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID310139,COc1ccc(Cl)cc1NC(=O)c1ccco1
+,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,,CID771481,COc1ccc(C)cc1NC(=O)CCN1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID9550792,COc1ccc(Cc2nnc(-c3ccc(F)cc3)o2)cc1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID9551373,CC1CCc2nn(CC(=O)N3CCc4ccccc43)cc2C1
+,,0.0,,,,,,,,,,,,,,,CID651128,C=CCSc1nsc(N)n1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,CID663824,Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3cccnc3)sc21
+,,0.0,,0.0,,,,,,,0.0,,,,,,CID658859,N#Cc1c(/N=C/c2cccs2)sc2c1CCCCC2
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1616653,Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc2ccccc2c1
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID703762,Cc1oc(C(C)(C)C)cc1C(=O)Nc1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2475805,COc1ccc(C(=O)OCc2csc(C)n2)c(O)c1
+,,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID2329114,O=C(NCCO)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1872549,COC(=O)c1[nH]c2ccc(F)cc2c1NS(=O)(=O)c1ccc(OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID6047829,Cc1ccc(C2=N/C(=C\N3CCCCC3)C(=O)O2)cc1
+,,0.0,,,,,0.0,0.0,,,,,,,,0.0,CID2117743,Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3cc(C)on3)c2)c1
+0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,CID2532461,COc1ccc(-n2cnnc2SCc2cnc(-c3ccccc3)s2)cc1
+,,,,0.0,,,,,,,,,,,,,CID645521,O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID4050164,Cn1nc(CC(=O)NC2CCCCC2)c2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2361759,CCOC(=O)c1c(NC(=O)CSc2ncnc3ccccc23)sc(C)c1C
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,CID3243968,O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID800641,Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
+,0.0,,0.0,,,,,,,,,,,0.0,,,CID866503,COc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2534587,Cc1cc(C(=O)COC(=O)c2ccc[nH]c2=O)c(C)n1-c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID3485622,COc1ccc(C2OC34CCCCC3C(C#N)(C#N)C2(C#N)C(=N)O4)cc1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID657589,CCNc1nc(Oc2ccccc2)nc(OC(C)C(=O)OCC)n1
+,,0.0,,,,,,,,,0.0,,,,,,CID2978005,O=C(CSc1ncn[nH]1)NC1CC2CCC1C2
+,,,,,,,,,,,,,,0.0,,,CID836955,Cc1cc(C)n(C(=O)CNc2ccc(C)c(C)c2)n1
+0.0,,,,,,0.0,,,,,,,,,,,CID742763,Clc1ccccc1OCCN1CCCCC1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID646367,COc1ccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N2CCCC2)cc1OC
+,,,,,,,,,,,,,,,,0.0,CID895833,Cc1nc(SCC(=O)Nc2cccc(Cl)c2)n[nH]1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID647409,Cc1cc(C)cc(NC(=O)C2CCCN(c3nc(C)cc(C)n3)C2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID858905,CC(C)c1ccc(-c2nn[nH]n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID751005,COc1ccccc1OCc1nc(C#N)c(N2CCCC2)o1
+,,,,,,,,,0.0,0.0,,,,,,,CID2168876,COc1ccc(CCNCc2ccc(OC)c(OC)c2OC)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID2575700,COc1cc2nc(SCC(N)=O)n(CCC3=CCCCC3)c(=O)c2cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2891126,COc1cccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)c1
+,,,,,,0.0,,,0.0,,,0.0,,0.0,,,CID893747,CCS(=O)(=O)CCSc1nc2ccccc2o1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID5389802,Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCCn2ccnc2)C1c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID1423270,Cc1c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID3099946,CC1=NN(c2ccc(C)cc2C)C(=O)C1C(c1ccccc1O)C1C(=O)N(c2ccc(C)cc2C)N=C1C
+,,,,,,,,0.0,,,,,,,,,CID3237640,COc1ccc2cc(C(=O)N3CCCCCC3)sc(=O)c2c1OC
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID2053105,CCn1cc(S(=O)(=O)CC(=O)N2CCc3ccccc32)c2ccccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID2675760,Cc1cc(=O)oc2cc(NC(=O)C3CCCC3)ccc12
+,,,,,,,,,0.0,,,,,,,,CID3604296,CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(F)ccc21
+,,,0.0,,,,,,,,0.0,,,,,,CID3243137,O=C(c1ccc2c(c1)OCO2)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID3956240,COc1ccc(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1OC
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+,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,,CID656059,O=C1/C(=N\n2cnnc2)c2ccccc2N1Cc1ccccc1
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+,0.0,,0.0,,,,,,,,,,,,,0.0,CID977351,S=c1nc(C2CC2)[nH]c2ccccc12
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+,,0.0,,,,,,,,,,,,,,,CID5390052,COCCCN1C(=O)C2=C(/C(=C3\C=CC=CC3=O)NN2)C1c1ccc(Cl)cc1
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+,0.0,,,,,,,,,,,,,,,,CID3000057,CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)Nc1ncc(Cl)cc1Cl)(C3)C2
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+,0.0,,,,,,,,,,,,,,0.0,,CID5308142,Clc1ccc(C2CC(c3ccccc3)N=C3N=CNN32)cc1
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+,,,0.0,,,0.0,0.0,,,,,,,,,,CID666729,CCCS(=O)(=O)N1CCc2cc(OC)c(OC)cc2C1
+,0.0,,,,,0.0,,0.0,,,,0.0,,,,,CID978143,Cn1cc(CNC(=O)Nc2ccc3c(c2)OCO3)cn1
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+,,,0.0,,,,,,,,0.0,0.0,,,,0.0,CID656277,Cc1nc(Nc2nc(=O)c3ccccc3n2C)nc2c(C)cccc12
+,,,,,,,,,,0.0,,,,,,,CID2295983,CCc1cccc(C)c1NC(=O)CSc1ncn[nH]1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID658806,c1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID912953,COC(=O)CSc1nc(C)cc(C(F)(F)F)c1C#N
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,,CID646185,CCOc1ccccc1N1CCN(CC(=O)Nc2nnc(CC)s2)CC1
+,,,,,,,,,0.0,,,0.0,,0.0,,,CID2997769,Cn1ccnc1SCC(=O)NC1CCCCC1
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID3241607,CC(=O)Nc1sc2c(c1C(c1cccs1)N1CCOCC1)CCCC2
+,,,,,0.0,,,,,,,,,,,,CID1122227,CC(C)c1ccc(OCC(=O)Nc2cccc3c2CCCC3)cc1
+,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,,CID651591,CCOC(=O)c1cc2sc(C)cc2n1CC(=O)Nc1cccc(C)c1C
+,,,,,,,,,,,0.0,,,,,,CID772854,O=C(Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F
+,,0.0,,,,0.0,0.0,,0.0,,,,,,,,CID5307429,CN(CCNC(=O)Cn1c(=O)sc2ccccc21)Cc1ccccc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID646873,Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
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+,,,,,,,,,,,,,,0.0,,0.0,CID895260,COc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1
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+,0.0,,,0.0,0.0,,,,,,,,,,,,CID3245455,Cc1c(NC(=O)OCCNC(=O)Nc2ccccc2)sc(=S)n1C
+,,,,,,,,,,,,,,0.0,,,CID16195296,Cc1ccc(SC(=C(Cl)Cl)/C(=C2\Nc3ccc(C)cc3N2)[N+](=O)[O-])cc1
+,,,,0.0,,,,,,,,,,,,,CID662279,COn1c(=S)[nH]c2ccccc2c1=O
+,,,,0.0,,,0.0,,,,,,,,,,CID2928015,Cc1cccc(Cn2c(C(C)O)nc3ccccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID910534,CCN(CCC(=O)O)c1ccccc1
+,,,,0.0,,0.0,,,,,,,,,,,CID712541,CCN(CC)C(=O)CSc1ccccc1N
+,,,,,0.0,,,,,,,,,,,,CID230755,Nc1ccccc1C(=O)NCc1ccccc1
+,,,,,,,,,,0.0,,,,0.0,,,CID1995503,COc1cccc(/C=N/n2c(=S)n(C)c3cc(C)c(C)cc32)c1OC
+,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID933254,C=C(C)CSc1nnc(-c2ccccc2)n1N
+0.0,,,,,,,,,,,,,0.0,,,,CID3244655,CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2086773,CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID2982778,O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCO3
+,,0.0,,,,,,,,,,,,,,,CID3146302,Cc1cc(=O)n(CCCO)c(O)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID2557752,CC(=O)Nc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cc(C(C)(C)C)ccc3C)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2869233,O=[N+]([O-])c1ccc(CSc2nnc(-c3ccco3)o2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1167283,COc1cc(S(=O)(=O)NCc2cccnc2)c(OC)cc1Br
+,,,,,,,,,,,0.0,0.0,,,,,CID3244155,CCN(CCNC(=O)C1CCCN(Cc2nc(-c3ccc(OC)cc3)oc2C)C1)c1ccccc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID1120957,CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cccs1
+,,,,,,,,,0.0,,,,0.0,,,,CID892993,CCn1ccc(C(=O)Oc2ccc(Cl)cc2)n1
+,,,,,,,,,,,,,0.0,0.0,,,CID2404762,Cn1c(-c2ccccc2)c(C(=O)CC#N)c2ccccc21
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID648729,O=C(Cn1c(-c2ccco2)nc2ccccc21)N1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID1138680,O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(CN2CCOCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5311198,CCCC(=O)NCCc1c2n(c3ccc(OC)cc13)CCCc1ccccc1-2
+,,,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,CID2476992,Cc1csc(NC(=O)CSc2nnc(-c3ccccc3)o2)n1
+,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,CID1564326,Cc1ccccc1OCCCC(=O)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6799996,COC(=O)c1ccc(C2Nc3ccc(/C(C)=N/NC(=O)C(OC)c4ccccc4)cc3C3C=CCC32)cc1
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,,CID2191947,O=C(CSc1nnc(-c2ccc(Br)cc2)o1)Nc1cccc2ccccc12
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID664953,CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1
+,,0.0,,,,,,,,,,,,,0.0,,CID5307775,COc1ccc(C2CC(c3ccc(OC)cc3)N3NC(N)=NC3=N2)cc1
+0.0,,,,,,,0.0,0.0,,,0.0,,,,,0.0,CID658545,CCOc1cc(C2Nc3ccccc3C(=O)N2c2ccccc2OC)ccc1O
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID2281079,COc1ccc(/C=N/n2cnnc2SCCO)cc1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID318429,C/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1cccs1
+,0.0,,,,,,,,,,,,,,,0.0,CID866894,Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1
+,0.0,,,,,,,,,,,,,,,,CID5389932,O=C1C=CC=C/C1=C1/CC(c2ccc(F)cc2)N2NC=NC2=N1
+,,,,,,,,,,,,,0.0,,,,CID3231405,Cc1nc(Nc2cccc(C(C)O)c2)c2nnn(Cc3ccccc3F)c2n1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID658366,Cc1ccc(N(/C=N/C#N)CC(=O)N2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID848491,Cc1ccc(-n2c(=O)[nH]c3ncccc3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1219415,C/C(=N\NC(=O)c1nn(C)cc1Cl)c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID804934,Cn1c(CSCc2ccccc2Cl)n[nH]c1=S
+,,,,,,,,,,,,,0.0,,,,CID2218487,COCCSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,0.0,,,,,0.0,,,,,,CID648663,COc1ccccc1NC1=NCC(=O)N1Cc1ccccc1
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID663055,COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)n1N
+,0.0,,0.0,,,,,,,,,0.0,,0.0,,,CID647259,COc1cc(NC(=O)Cc2cccs2)ccc1-n1cnnn1
+,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,CID647548,COc1ccc(C(O)c2nc3ccccc3s2)cc1
+,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,CID2080061,CN(C)S(=O)(=O)c1cccc(CSc2cccc[n+]2[O-])c1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,CID652492,Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1
+,,,,,0.0,,,,,,0.0,,,,,,CID5102347,COc1cc2c(cc1OC)C1Cc3c(cnc4c(-c5ccc(Cl)cc5)cnn34)C(=O)N1CC2
+,,,,,,0.0,,,,,,,0.0,,0.0,0.0,CID1306834,Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID873142,COc1ccc(C(=O)NCc2ccccn2)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,0.0,0.0,CID645303,CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)ccc1OCCN1CCOCC1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID678934,COc1cc(/C(C#N)=C/c2ccccc2)c([N+](=O)[O-])cc1OC
+,,,,,,,,,0.0,,,,,,,,CID644884,Cc1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1959373,CCN(CC)c1nc2ccccc2nc1-n1nc(C)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID16192380,COc1cc(CN2CCNC(=O)C2CC(=O)N2CCc3ccccc3C2)cc(OC)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID1792447,CC(C)C(=O)NC(=S)Nc1ccccc1C(=O)Nc1ccccc1
+,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,CID871221,CCOc1ccccc1C(=O)Nc1nnc(CC)s1
+0.0,,,,,,,0.0,,,,,,,,,,CID5307746,CCOC(=O)N1CCN(C(=O)C2CCN(Cc3nc(-c4ccccc4C)oc3C)CC2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1243323,O=C(Cc1coc2ccc3ccccc3c12)NCc1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID652578,CCOC(=O)c1cc2c(ccn2C)n1Cc1ccccc1C
+,,,,,,,,,,,,,0.0,,,,CID6404643,CNc1nc(-c2ccccn2)nnc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16195846,C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)OC(OCCCCO)C2)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID1143256,CCOC(=O)N1CCN(C(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)CC1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID3243388,O=C(c1ccco1)N1CCN(c2nc3ccccc3n3nnnc23)CC1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2971915,COC(=O)c1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID764949,Cc1[nH]c2ccccc2c1CN1CCc2ccccc2C1
+,,,,,,,,,,,,0.0,,,,,CID3243761,COc1ccc(N2C(=O)CCC(C(=O)N3CCOCC3)C2c2ccc(F)cc2)cc1
+,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,,,CID1247744,O=C(Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1)Nc1ccc2c(c1)OCO2
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2998386,COc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cn1
+,,,,,,,,,,,0.0,,,,,,CID647038,CCOC(=O)NC1CCS(=O)(=O)C1
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID2999631,COCC(C)n1c(C)cc(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c1C
+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID3239340,CN(Cc1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1
+,,,,,,0.0,,,,,,,,,,,CID2863500,COc1ccc2c(c1)CC(C1(O)C(=O)N(C)c3ccccc31)C2=O
+,,,,0.0,,0.0,,,,,0.0,0.0,,,,,CID646325,COc1ccccc1NC(=O)Cc1csc(N)n1
+0.0,,,,,,,0.0,,,,,,,0.0,,,CID710601,Cc1[nH]c2ccccc2c(=O)c1CN(C)Cc1ccccc1
+,,0.0,,,,,,,0.0,,,,,,,,CID2117733,COc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c(OC)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2322587,CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCNC(=O)c2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1333578,Cc1cc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)ccc1[N+](=O)[O-]
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID665370,CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2ccc(Cl)cc2Cl)o1
+,,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID1258614,CCOC(=O)c1c2n(c3ccc(O)cc13)CCCCC2
+,,,,,,,,,,,,,,0.0,,,CID2768958,CCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
+0.0,,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,CID2945487,COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)c3ccco3)c2)c2ccccc12
+,,0.0,,,0.0,,0.0,,,,0.0,,,,,,CID85122,Cc1cc(C(N)=O)c2ccccc2n1
+,,0.0,,,,,,,,,,0.0,,,,,CID3238058,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-n2nncc2C(C)(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1504524,Cc1cc(CNC(=O)COc2ccccc2)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID3108590,COCCNC(=O)C(=O)N/N=C(\C)CC(=O)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID5349647,COc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCc3cccnc3)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3220381,CC(C)CC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
+,,,,,,,,,,0.0,,,,,,,CID5729425,CC(C)(C)c1ccc(C(=O)N/C(N)=N/c2nc3ccccc3o2)cc1
+,,,,,,,0.0,,,,0.0,,,,,,CID645684,Cc1ccc(N2CC(C(=O)Nc3cccnc3)CC2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID5194034,O=C(O)CC(c1cccc2ccccc12)n1cccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1423969,O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1
+,,,,,,,,,,,,,0.0,,,,CID1480879,CC(=O)Nc1ccc(Sc2ccccc2C(=O)N2CCCC2)cn1
+,,,,,,,,,,,0.0,,0.0,,,,CID798223,CSc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID864892,Cc1ccc(-c2nnc(SCC(C)C)n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID800640,Cc1nn(-c2ccccc2)c(=S)c2ccccc12
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID2942285,CCOc1ccc(OCc2ccc(C(=O)NCC3CCCO3)o2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID658480,CCn1c(=O)c2c(cnn2C)c2ccccc21
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID564729,CC(C1CC1)N(C(=O)c1ccccc1O)c1ccccc1
+,,,0.0,,,,,0.0,,,,,,,,,CID2997331,CCOC(=O)CC1C(=O)NCCN1Cc1cccc(C(F)(F)F)c1
+,,,,,0.0,,,0.0,0.0,,,0.0,,,,,CID647584,CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(OCC#N)c(OC)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID2434904,CCCCNC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1048125,CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
+,,,0.0,,,,,0.0,,,,,,0.0,0.0,,CID15548,COc1ccc(CC2c3cc(OC)c(OC)cc3CCN2C)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID896452,O=C(/C=C/c1ccco1)Nc1ccc(C(=O)N2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3151787,COc1ccc(Nc2nc(=O)cc(C)[nH]2)c(OC)c1
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+,,0.0,,,,,,,,,,,,,,,CID4340178,CCC(C)Sc1nc2c(c(=O)n1C)SC(C)C2
+,,,0.0,,,,,,,,,0.0,,,,,CID663757,Cc1ccc(OCCN2CCN(C(=O)CCC(=O)Nc3nnc(C)s3)CC2)cc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID602681,CN(C)c1nc2n(c(=O)n1)CCO2
+0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,,CID2331136,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2382936,COc1ccc(-c2oc(NC(=O)CCl)c(C#N)c2-c2ccc(OC)cc2)cc1
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+,,,,,,,,,,0.0,,,,,,,CID2999765,COc1ccc(-c2cc(C(=O)OC3CCOC3=O)c3ccccc3n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2966222,O=C(Nc1ccc(Br)cc1)c1cccc(NC(=O)C2C3CC4OC(=O)C2C4C3)c1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1320268,CCOC(=O)c1ccccc1N1C(=O)CSC1=S
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID750660,COCc1nnc(NC(=O)c2ccco2)s1
+,,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID647481,O=C(NCCNC(=O)C(c1ccccc1)c1ccccc1)c1ccco1
+,,0.0,0.0,,,,,0.0,,0.0,,0.0,,,,,CID1190351,O=C(C1CCN(S(=O)(=O)c2cccs2)CC1)N1CCc2ccccc2C1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID639578,CCOC(=O)c1[nH]c2ccccc2c1NC(C)=O
+,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID3240207,Cc1cccc(C)c1NC(=O)C1(NC(=O)C2CCCN2C(=O)OC(C)(C)C)CCCCC1
+,,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,CID600149,CC(=O)c1c(C)cc(C)c(CSc2nnc(-c3ccco3)o2)c1C
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+,,,,,,,0.0,,,0.0,,,,,,,CID666911,Cc1c(OCc2nn[nH]n2)ccc2c3c(c(=O)oc12)CCCC3
+,,,,,,,,,,0.0,,,0.0,,,,CID2296077,Cc1ccc(OCc2nnc(SCC(=O)c3cccs3)n2-c2ccccc2)cc1C
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID1243317,CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1
+0.0,,,,,,,,,,,,,,,,,CID5307627,COc1cccc(C2CC(c3cccc(Br)c3)N3NC(N)=NC3=N2)c1
+,,,,,,0.0,,,,,0.0,,,0.0,,,CID3243512,O=c1[nH]c2c(s1)C(c1ccccc1)C1C3CCC(C3)C1S2
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID2999632,COc1ccc(C(C(O)C(=O)c2c[nH]c3ccccc23)N2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2185797,CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID787569,Cc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)o1
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+,,,,,,,,,,0.0,0.0,,,,,,CID972063,CCCN1CCN(C(=O)Nc2ccc(C(=O)OCC)cc2)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID2875616,Cc1ccc(N2C(=O)CC(C3CCCO3)C2=O)cc1
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+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID644880,CCOC(=O)Cn1nnc(-c2ccc(SC)cc2)n1
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+,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID3239628,COCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O
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+,0.0,,,,,,,,,,,,,,0.0,0.0,CID658873,O=c1cc(NCc2ccccc2)nc2n1CCCS2
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+,,,,,,,,,,,0.0,,,,,,CID1089231,Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2289505,Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID5309284,O=C(Nc1nccs1)C1CCCN(S(=O)(=O)c2cccnc2)C1
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+,,,,,0.0,,,,,,,,,,,,CID3809547,CC(CNC(=O)c1ccc(-c2ccccc2)cc1)CN(C)C
+,,,,,,,,,0.0,,,,,,,,CID1482776,Cc1cc(Cl)ccc1Oc1ncc(CN2CCN(c3ccccc3)CC2)s1
+,,0.0,,,,,,,0.0,,,,,,,,CID654305,Cc1cc(-c2nnc(SCc3cccnc3)o2)no1
+0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,0.0,CID767741,O=C(CCn1c(=O)sc2ccccc21)NCc1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1095467,CC(C)(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
+0.0,,,,,,,,,,,,,,,,,CID5307265,O=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2237332,CCOc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C
+0.0,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,CID2198505,CCCOc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID647130,O=C1COc2ccc3ccccc3c2CN1
+,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,CID2959250,O=C(Nc1ccccc1C(=O)N1CCOCC1)C1CCC(=O)N1C1CCCC1
+,,,,0.0,0.0,,,,,,,,0.0,,0.0,,CID3245845,O=C(CCSc1nnc2scc(-c3ccccc3)n12)Nc1nc(-c2ccccc2)ns1
+,0.0,,,,,,,,,,,,,,,,CID5309354,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4)C(C)C3)o2)cc1
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+0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID3242813,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccnc1
+,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,CID3243185,CCC(Sc1ncccc1C(=O)OCCN1CCCC1=O)C(=O)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID3604853,C/C(CCC1CC(C)OC1=O)=N\Nc1nc(-c2ccccc2)cs1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID646143,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
+,,,0.0,,,,,,,,0.0,,,,,,CID2999178,Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OC3CCOC3=O)cc12
+0.0,0.0,,0.0,,,,,,,,,,,0.0,,0.0,CID612869,Cc1ccc(N2CC(C(=O)Nc3ccc(N(C)C)cc3)CC2=O)cc1C
+,,,,,,,,,,,0.0,,,,,,CID2960486,CC(=O)N1N=C(c2ccc(C)o2)CC1c1ccc(Br)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID660080,COc1ccc(C(=O)CSC2=C(C#N)C3(CCCCC3)C(C#N)=C(N)N2)cc1
+,,,,,,,,0.0,,,,,,,,,CID68459,O=C(O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID4638073,CCOC(=O)C1=NN(N=O)C2(CC(=O)N(c3cc(C)cc(C)c3)C2=O)C1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID665311,COc1ccc2c(c1)C(NC(C)=O)C(=O)N2C
+,,,,,,,,,0.0,,0.0,0.0,,0.0,,0.0,CID651905,CC1(C)CC(C2N3CC4(C)CN2CC(C)(C3)C4=O)CCO1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID3236663,COc1ccc(CCNC(=O)CCN2C(=O)COc3ccc(C)cc32)cc1OC
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID3242770,CCCC(=O)NC(C)C(c1cccs1)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1361743,COC(=O)c1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID3241464,CCOc1cc(C2CC(=O)NC3=C2C(=O)C(C(=O)OC)C(C)C3)cc(Cl)c1O
+,,,,,,,,,,0.0,,,,,,,CID5150680,Cn1cnnc1SC(C(=O)Nc1ccc(F)cc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID851328,Cc1cc(C)nc(SCCC(=O)Nc2cccc3ccccc23)n1
+,0.0,,,,,,,,,,,,,,0.0,,CID3245264,Cc1ccc(NC(=O)Cn2c(C)cc(C)c(C#N)c2=O)c(Cl)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID646838,O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccc(F)cc1
+,,,0.0,,,,,,,,,,,0.0,,,CID107838,c1ccc2c3c([nH]c2c1)CNCC3
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID662560,Cc1cccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c1C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID3240750,Cc1cccn2cc(CNC(=O)CC3CCCC3)nc12
+,0.0,,,,,,,,,,,,,,,,CID659505,Cc1nc2cc(NCc3nc4ccccc4n3Cc3ccccc3)ccc2n1C
+,,,,,0.0,,,,,,,,,,,,CID3241973,CCC(C)NC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID1252084,O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccnc1
+0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,0.0,CID1831382,CCOc1ccc(-c2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID2225136,O=C(NCCCN1CCCC1=O)c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID2490830,Cn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccccc1F
+,,,,,,,0.0,,,,,,,,,,CID649909,CCNC(=O)N1C(=O)C2(OCCO2)c2ccccc21
+,,,,,0.0,,,0.0,,0.0,,,,,0.0,,CID665610,CCc1nc(SCC(=O)NCC2CCCO2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID825949,C/C(=N\NC(=O)COc1c(C)cccc1C)c1cccs1
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID1285689,O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCC(c2noc3ccc(F)cc23)CC1
+,,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID2542787,CNC(=O)c1c(C)nc(SCC(=O)NCc2ccc(OC)cc2)c(C#N)c1-c1ccco1
+,,,,,,,,,0.0,,,,,,0.0,,CID663017,OCCN1CN=C(Nc2nc3ccccc3s2)NC1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2233682,CC(=O)Oc1ccc(-c2nc(-c3cccnc3)no2)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID5308293,O=C(NC1CCCCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,,,,,0.0,,,,,,,CID658811,CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1-c1ccccc1C
+,,,,,,,,,,,,,0.0,,,,CID1877144,O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2F)cc1)c1cccs1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID3238539,COc1ccc(N2CCN(C(=O)c3cc4c(-c5cccc(OC)c5)nn(C)c4s3)CC2)cc1
+,,,,,,,0.0,,0.0,,,,0.0,,,0.0,CID752749,CCCC12CN3CC(C)(CN(C1)C3c1ccc3c(c1)OCO3)C2=O
+,,,,,,,,,0.0,,,,,,,,CID2946636,Cn1cc(C(CC(=O)O)C(=O)O)c2ccccc21
+,,,,,,,,0.0,,,,,0.0,,,,CID778386,COc1ccc(NS(=O)(=O)Cc2ccccc2)cc1OC
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID650075,COc1ccc(N2CCN(C(=O)CSc3nnc(CNc4ccccc4)o3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID732064,COc1ccc(C(=O)CSc2n[nH]c(N)n2)cc1
+0.0,0.0,,,,,0.0,,,,,,,0.0,0.0,,,CID653774,COc1ccc(Cl)cc1NC(=O)COc1cccc(-n2cnnn2)c1
+,,,,,,,,,0.0,,,,,,,,CID2175556,NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3O)cs2)cc1
+,,,,,,,,,0.0,,,,,,0.0,,CID5768188,CN(C(=O)C1=CC2=NC(c3ccco3)CC(C(F)(F)F)N2N1)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID3240538,CCN1CCN(CCCNC(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1
+,,,,,,,,,,,,,0.0,,,,CID314707,O=[N+]([O-])c1ccc(/C=N/c2cccc3ccccc23)s1
+,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID3235629,Cc1ccc(-n2c(=O)cc(N3CCc4ccccc4C3)[nH]c2=O)cc1
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+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,CID1310128,CC1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nccs3)c2)CC1
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+,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID1304436,Cc1nn(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(=O)c2ccccc12
+0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID665832,COC(=O)c1c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c2c(C)cccc2n1C
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+,,,,,,,1.0,,,,,,,,,,CID16072278,N#Cc1cc(S(=O)(=O)Nc2ccc(F)c(-c3c(O)ccc4c3OCO4)c2)ccc1F
+,0.0,,,,,,,,,,,0.0,,,,,CID728478,Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=O
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+,0.0,,,,,0.0,,,,,,,,,0.0,,CID666798,O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccc(Cl)cc1
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+0.0,,,,,,0.0,,,,0.0,,,,0.0,0.0,,CID782430,COc1cc(Br)cc(CN2CCN(C)CC2)c1O
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+0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,0.0,CID2254184,COc1ccccc1OCCSc1nc(=O)c2ccccc2[nH]1
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+,,,0.0,,,,,,,,,,,,,,CID2999924,CC(=O)NC12CC3CC(C1)CC(C(=O)OCC(=O)NC(=O)c1cccn1C)(C3)C2
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+,0.0,,,,0.0,,,,,0.0,,,,,,,CID662756,O=C(NCCC1=CCCCC1)c1ccc(=O)oc1
+,,,,,,,,,,,,,0.0,,,,CID2350190,O=S(=O)(c1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1)N1CCOCC1
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+,,,,,,,,0.0,,,0.0,,,,,,CID2953403,CNC(=S)N1N=C(c2ccccc2)CC1c1ccc(Br)cc1
+,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,CID661329,CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccc(N)cc1
+,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,,,CID346199,CC(=O)Nc1ccc(Cl)cc1C(=O)O
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID3241707,CCOc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID2127580,Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3)o2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2942977,O=C(O)CC(C(=O)OC1CCCCC1)N1CCOCC1
+,,,,0.0,,0.0,,,,,,,,,,,CID2080363,O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1cc2ccccc2o1
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+,,,,,,,,0.0,,,,,,0.0,,,CID1022890,Cn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID573993,O=C(Nc1nonc1NC(=O)c1cccs1)c1cccs1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID2974882,Cn1nc(CC(=O)Nc2ncc(Br)s2)c2ccccc2c1=O
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+,,,0.0,,,,,,,,,0.0,,,,,CID5310566,CCOC(=O)N1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1227621,COc1cccc(/C=N/n2nnnc2N)c1OCc1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID5118082,CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12
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+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID2928745,COc1ccc(Cc2nnc(NS(C)(=O)=O)s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1479313,CCOC(=O)Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID664750,CCCCCc1c(C)[nH]c(Nc2ccc(F)cc2)nc1=O
+,,,,,,,,,0.0,,,0.0,,,,,CID1263872,Cc1cc(N2CCN(c3nc(N4CCOCC4)nc4ccccc34)CC2)c2ccccc2n1
+,,0.0,,,,,,,,,,,,0.0,0.0,,CID665353,Cc1ccc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)cc1C
+,,,,,,0.0,,,,0.0,,,,,,,CID5771422,CCOC1=C/C(=C\Nn2cnnc2)C(Br)=CC1=O
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID661991,COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(CCc4ccccc4)c(=O)c32)cc2c1OCO2
+,,0.0,,,,,,,,,,,,,,,CID791317,COc1cccc(CN2CCN(c3ncccn3)CC2)c1
+,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,CID666003,O=c1nc(NCc2ccccc2)[nH]c2c1CCC2
+,,,,0.0,,,,,,,,0.0,,,,,CID3241947,CCOc1ccc(OCC)c(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)c1
+,,,0.0,,,,,,,,,,,,,,CID2179721,Cc1ccccc1N1C(=O)CC(=O)NC1=O
+,,,0.0,,,,,,,,,0.0,,,,,CID5310411,CC(NC(=O)NC1CCCCC1)C(c1cccs1)N1CCOCC1
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID2354633,O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccccc1OCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1363889,O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)c1ccc(Br)o1
+,,,,,,,,,,,,,,0.0,,,CID3171709,CCOc1ccc(-c2nnn(CC(=O)N3CCCC(C)C3)n2)cc1
+,,,,,,,0.0,,,,,,,,,,CID729209,CN(C)c1ccc(CNC2CC(C)(C)NC(C)(C)C2)cc1
+0.0,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,CID664847,COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CCN1CCC(C)CC1
+,,,,,,,,,,,,,,0.0,,,CID2480964,O=C(COc1ncnc2ccccc12)N1CCN(c2ccccc2)CC1
+0.0,,,0.0,,,,0.0,,,,0.0,,,,,,CID1363715,COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1OC
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+,,,,,,0.0,,,,,,0.0,,,,,CID5693111,CC(C)(C)c1nnc2sc(SCC(=O)C(C#N)=C3Nc4ccccc4N3)nn2c1=O
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+,,,,,,,,,,,,,,,0.0,,CID2837738,CC1(N2CCOCC2)CC2(O)C(=[N+]1[O-])CCc1c2no[n+]1[O-]
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID664912,CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C(F)(F)F)c12
+,,,,,,,,,,,,,0.0,,,,CID1483710,CNC(=O)c1sc(-c2cccnc2)nc1C
+,,,0.0,0.0,,,,,,,,,,,,,CID1306752,CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1287301,CN(C)c1ccc(C(=S)N2CCN(C(=S)Nc3ccc(Cl)cc3)CC2)cc1
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+,,,,0.0,,0.0,,,,,,,,,,,CID663927,CCC(C)C(NC(=O)NCc1cccs1)C(=O)OC
+,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0,CID2431072,Cc1ccsc1C(=O)OCC(=O)N1CCOCC1
+,0.0,,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,CID970527,Cc1cc(CNC(=O)Nc2ccc3c(c2)OCO3)nn1C
+,,,,,,,,0.0,,,,,,,,,CID1478207,CCCc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID1017702,O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl
+0.0,,,,,,,,,,,,,,,,,CID5307106,COc1ccccc1CNC(=O)c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID3244257,CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID2915933,COc1ccc(NC(=O)CC(C)c2ccccc2)c([N+](=O)[O-])c1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,,CID2841196,N#CC1=C(SCc2ccccc2)NC(=O)CC1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID347809,S=C(c1ccc2c(c1)OCO2)N1CCCCC1
+,,,,,0.0,,,,,,,,0.0,,,,CID1296770,Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2cccc4cccnc24)C3=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID661216,O=C1c2ccccc2C(=O)N1CCn1nc(Cl)nc1Cl
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID649597,COc1ccc(N2CCN(C(=O)CSc3nc4cc(OC)c(OC)cc4cc3C#N)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5413620,Cc1ccc(Cl)c2c1NC(=O)/C2=C1/NC(=S)NC1=O
+,0.0,,,,,,,0.0,,,,0.0,0.0,,,,CID2999009,Cc1nc2cc(-n3ccc(=O)cc3)ccc2n1-c1ccccc1
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID3240014,Cc1ccc(N(CC(=O)N2CCn3c2nc2ccccc23)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3231582,CCCn1c(C(=O)OC)cc2c1ccn2-c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,0.0,,CID1152883,O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3158592,COc1ccc(C2NC(=O)CS2)cc1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID4406324,COC(=O)C1CCCN1C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID1243607,Cn1nnc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1
+,,0.0,,,,,,,,,,,,,,,CID5742127,C/C=C/Cn1c(SC)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,0.0,,,,,,,,,,,,0.0,0.0,CID650954,CN(Cc1ccncc1)C1CC(=O)N(c2ccc(Cl)cc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2530545,COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3536407,Nc1nc(NCC2CCCO2)nc(Nc2ccc(F)cc2)c1[N+](=O)[O-]
+,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID651148,O=C(Nc1nccs1)Oc1ccccc1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID715305,Cc1nc(SCC(=O)c2ccc(F)cc2)n[nH]1
+,,,,,,,,0.0,,,,,,,,,CID655996,COc1ccc2cc(CN(CC3COCCO3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1
+,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID1288492,Cc1c(NC(=O)C2(c3ccccc3)CCOCC2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID1482423,CC(=O)c1cnc2[nH]c3ccccc3n2c1=O
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID765038,COc1ccccc1N1CCN(Cc2ccccc2Cl)CC1
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID1263894,CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID663165,CCc1ccc2c(c1)CCCN2C(=O)c1ccccc1C(=O)O
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3240028,CC(C)OCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3
+,,,,,,,,,0.0,,,,,,,0.0,CID3244782,O=C(NCCCN1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID6061011,COc1ccc(N/C=C2\C=NNC2=O)cc1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID383676,CCOC(=O)C(NC(=O)CC)(Nc1ccccc1OC)C(F)(F)F
+,,,,,,0.0,,,,,0.0,,,,,,CID2998549,O=C(CCc1nc(=O)c2ccccc2[nH]1)OCc1nnc(-c2ccccc2)o1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID653691,O=C(N1CCOCC1)N1CCC(NC(=O)C23CC4CC(CC(C4)C2)C3)CC1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID665241,Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccco2)cc1
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID5051752,CC(=O)Nc1ccc(S(=O)(=O)NCCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1
+,,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,CID2771106,O=C(NC(Cc1ccccc1)C(=O)O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2957471,Cc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)s1
+,,,,,,,,,,,0.0,,,,,,CID2934754,Cc1ccc(C(=O)NCCN(C)C)cc1C
+,,,,,,,,,,,0.0,,,,,,CID915847,CCOc1ccc(CC(C(N)=O)C(N)=O)cc1CN(C)C
+,,,,,,,,,,,,,,0.0,,,CID2171167,Cc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1505703,NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID3242992,CCOc1ccc(S(=O)(=O)Nc2ccccc2SC)c2cccnc12
+,,,,,0.0,,,,0.0,,,,0.0,0.0,,,CID1279895,O=c1c2c(-c3cccs3)csc2ncn1-n1cccc1
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID2998503,CCOc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)NCCCn2ccnc2)cc1
+,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,CID2331539,CCOc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3629528,CC(OC(=O)CCc1nc(=O)c2ccccc2[nH]1)C(=O)NC1CCCC1
+,,0.0,,,,,,,,,,,,,0.0,,CID3239029,CCOC(=O)COc1ccc2c(c1)C(=O)CC(C)(C)O2
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID661996,Cn1c(=O)c2c(nc(Br)n2CCSc2nc3ccccc3o2)n(C)c1=O
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID3236444,CC1COC(c2cccn2Cc2ccccc2Cl)=N1
+,,,,,,,,,,,,,,0.0,,,CID3898981,O=C(Nc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID683766,Cc1c(/C=N/O)c2ccccc2n1C
+,,,,,,,,,,,,0.0,,,0.0,,CID2122162,Cc1noc(C)c1COC(=O)COc1ccc2c(C)cc(=O)oc2c1
+,,,,,,,,,,,,,0.0,,,,CID630835,COC(=O)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID650031,CCCCSc1nc(=O)c(CC(=O)OC)c(C)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID4655086,COc1ccccc1-c1cc(C(F)(F)F)nc(S(C)(=O)=O)n1
+,,,,,0.0,,,,,0.0,,,,,,,CID662442,Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2N)c1C
+0.0,,,,,,,,,,,,,,,,,CID5307262,O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCCCCC1
+,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID2966361,Cc1cc(NC(=O)CCN2C(=O)c3ccccc3C2=O)no1
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID5389021,CCO/C([O-])=C1\N=c2ccccc2=C1[N+]#N
+,,,,,,,,0.0,,,,,,,,,CID773030,CN1CCN(CCC(=O)Nc2ccc3c(c2)OCO3)CC1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID649732,O=C(NCCOC(=O)c1cccs1)c1cccnc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID1248838,Cc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nnc2-c2ccco2)cc1
+0.0,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,0.0,CID652568,O=C(NCCc1ccccc1)c1cccnc1N1CCCCCC1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2215161,CCCS(=O)(=O)c1nnnn1-c1cccc(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID52000,COc1ccccc1Nc1ncnc2nc[nH]c12
+,,,,0.0,0.0,0.0,,,,,,0.0,,,,,CID666497,COc1cc(C(=O)Nc2ccc(O)cc2C(=O)O)ccc1OC(C)=O
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID1316704,CS(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID5334230,COc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1OC
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID974022,O=C(O)CCc1nn2c3ccccc3nc2n(-c2ccccc2)c1=O
+,,,,,,,,,,,,,,,,0.0,CID3243060,O=C(O)C1C2C=CC(C2)C1C(=O)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1130976,Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2ccc(Cl)cc2)c1C#N
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID5307282,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccccc3OC)c(C)o2)c1
+,,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID2608862,COc1ccc(C)cc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1
+,,,,,,,,,,0.0,,0.0,,0.0,,,CID666337,c1ccc2c(c1)nnn2Cc1nnc2sc(-c3ccncc3)nn12
+0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,,0.0,CID667146,c1ccc(Cn2c(NCc3ccco3)nc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID2919103,COC(=O)c1c(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)sc(C)c1C
+0.0,,,0.0,,,,,,,,,0.0,,,,0.0,CID665827,O=C1CC(c2cccc(Cl)c2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1481295,CNC(=O)c1nn(-c2ccccc2)ccc1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID795272,O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccccc1
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+,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,,,CID663453,CCn1c(NCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C
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+,0.0,,,,,,0.0,,,,,,,,,,CID3243760,Cc1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1
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+,,0.0,0.0,,,,,,,,,,,,,,CID649745,C1CCN(c2nc(N3CCCC3)nc(N3CCNCC3)n2)C1
+,,0.0,,0.0,,,,,,,0.0,,,,,0.0,CID3237293,CCOc1ccccc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1
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+,,,,,,,,,,,,,,0.0,,,CID713323,S=c1[nH]nc(-c2ccco2)n1/N=C/c1ccc(Cl)c(Cl)c1
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+,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID5430,c1ccc2[nH]c(-c3cscn3)nc2c1
+,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,CID2434650,Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCc3c(C)noc3C)cc2)cc1
+0.0,,,,0.0,,,,,0.0,,,,0.0,,,,CID1244628,O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCCN1CCOCC1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID2922819,COc1ccc(-c2nnc(SCC(=O)NC(C)c3ccccc3)o2)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID4841619,Cc1ccc(-n2nnnc2Sc2ccc(S(=O)(=O)NCCN(C)C)cc2[N+](=O)[O-])cc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID651089,O=C(COc1cccc2cccnc12)N1CCc2ccccc2C1
+,0.0,,,0.0,,,,,,,,,,,,,CID3243179,O=c1cc(CO)oc(C(Nc2ccccn2)c2ccsc2)c1O
+,,,,,,0.0,,,,,,,,,,,CID5307162,CCOCCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
+,,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,,CID650512,Cc1cccc(C)c1OCC(=O)Nc1ncn[nH]1
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID2353924,Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1
+,,,,,,,,,,,,,0.0,,,,CID16190896,CCc1ccc(C2c3[nH]c4ccccc4c3CCN2C(=O)CNC(N)=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2207442,CCN(CC)C(=O)COc1ccc(/C=C(\C#N)S(=O)(=O)c2ccccc2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID732106,CCOC(=O)c1cccc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID2928409,CC1CCc2ccccc2N1C(=O)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID5900844,C=CCON/C(CCC)=C1\C(=O)C(C(=O)OC)C(C)(C)C\C1=N/C
+,,,,,,,,,,,,,0.0,,,,CID404112,CC/C(=N\NC(=O)c1cccnc1)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID285698,O=C1CCCC2C3CCCN4CCCC(CN12)C34
+,,,0.0,,,,0.0,,,,,,,,,,CID354966,O=C(O)c1cc2c(ccc3ccccc32)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID828721,CC(C)(C)n1cnc2cc(NC(=O)c3cccs3)ccc21
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID1314466,Cc1ccc(C(=O)NC(C)(COc2nonc2C)COc2nonc2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1336857,O=C(Oc1ccc([N+](=O)[O-])cc1)c1cc(-c2ccccc2)nc2ccccc12
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID2234313,COc1ccc(S(=O)(=O)NC2CCCCC2)c(C)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID3293008,CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nc2[nH]ncc2c1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID894029,CN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID998857,CCOC(=O)c1sc(C)c2c(=O)n(Cc3ccc(Cl)cc3)c(C)nc12
+,,,,,,,,,0.0,,,,,,,,CID4110622,Cc1cc(C)cc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)c1
+,,,,,,,,,,,,0.0,,,,,CID644818,Cc1cc(C(=O)c2cccs2)c(N)s1
+,0.0,,,,,,,,0.0,0.0,,,,,,,CID2998176,COCCNC(=O)CN1c2ccccc2CC1C
+,,,,,,,,,,,,,,0.0,,,CID709455,O=C1c2ccccc2C(=O)N1Cc1cccnc1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID1078143,Cc1sc(NC(=O)c2ccccc2)c(C(=O)N2CCN(C)CC2)c1C
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,,CID869427,CCOC(=O)C1CCN(C(=O)c2ccccc2NC(C)=O)CC1
+,,,,,,,,,,0.0,,,,,,,CID1441513,Cc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID4892100,COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1
+,,,,,,,,,,,0.0,,,,,,CID751293,CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,0.0,CID654719,COc1ccc(C(c2nnnn2CCc2ccccc2)N2CCN(C)CC2)cc1OC
+0.0,,,,0.0,,,0.0,,,,,,0.0,,,,CID3245539,Cc1cnn(-c2nc(-c3cccs3)cc(C(F)(F)F)n2)c1
+,,,,,,,,,0.0,,,,,,,,CID3239933,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCCCN3CCCC3=O)o2)cc1
+,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,CID649787,O=C(C1CCCCC1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
+,,,,,,,,,,,0.0,,,,,,CID3416613,O=C(NN1C(=O)c2ccccc2NC1c1ccccn1)c1ccc(Br)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2925016,O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCCC4)cc3c2c1)N1CCCCC1
+,,,0.0,,,0.0,,0.0,0.0,,,,,,,,CID2998148,COCC(C)n1c(C)cc(C(=O)COC(=O)c2ccc3ncsc3c2)c1C
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1488501,CC(=O)Nc1ccnc(-c2cccnc2)n1
+,,,,,,,,,,,,,,,,0.0,CID4127748,COc1cccc(N2C(=O)C3ON(c4ccccc4)C(c4cccs4)C3C2=O)c1
+,0.0,,,,,0.0,,,,,,0.0,0.0,,,,CID2137045,COc1cc2nc(=O)n3[nH]c(-c4ccccc4)nc3c2cc1OC
+,,,,,,,,,,,,,,0.0,,,CID4222340,CCC(C)C(NC(N)=O)C(=O)NC1CCC(C)CC1
+,,,,,,,,0.0,,,,,,,,,CID7789137,CCOC(=O)C1=C(C)/C(=N/Nc2ccc(C)cc2C)N=C1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2011852,O=C(CNC(=O)c1cccc(Br)c1)NCCc1nc2ccccc2[nH]1
+,,,,,,,0.0,0.0,,,,0.0,0.0,,,,CID772473,COC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
+,,,,,0.0,,,,,,0.0,,,,,,CID1486613,O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccccc1
+,,0.0,,0.0,,,,,,,,,,,,,CID661618,Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccco3)C3=C(CCCC3=O)N2)cc1
+,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,CID4575307,COc1ccc(NC(=O)c2cnc3ccccn3c2=O)c(OC)c1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID3237156,COc1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID6400903,O=C(/C=N/O)CCCCCN1CCCCCC1
+,,,,,,,,,,,0.0,,,,,,CID2497261,CC(C)NC(=O)NC(=O)COC(=O)c1ccccc1Oc1ccccc1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID709437,COc1ccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)cn1
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID2210545,COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(NC(C)=O)cc2)cc1C
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID5308332,CC1=C(C(=O)OC(C)C)C(c2ccccn2)N2NC=NC2=N1
+0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,CID654116,CCOC(=O)CN(C(=O)CN1CCOCC1)c1ccc(Br)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2768821,Cc1cc2c(ncn2Cc2ccccc2)c([N+](=O)[O-])c1C
+,,,,,,,,,,,,,,0.0,,,CID12004894,COc1cc(OC)cc(-c2nc3ccccc3c(=O)n2OC(=O)c2ccccc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID1473436,Cc1ccc(-n2c(C)nn(CC3CC3)c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID4882675,CC(C)CN(C(=O)CSc1nncs1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
+0.0,,,,,,0.0,,,0.0,,,,,,,,CID2956887,COC(=O)c1ccccc1NC(=O)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID2886474,COc1ccccc1CC(=O)Nc1ccc([N+](=O)[O-])cc1OC
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID646660,CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2926903,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)c1NS(C)(=O)=O
+,,,,,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,CID890827,COCc1nnc(NC(=O)CCC2CCCCC2)s1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID654679,COCCCN(C(=O)c1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1
+,,,,,,,,,,,,,,0.0,,,CID11958768,NC1=Nn2c(nc(-c3ccccc3)cc2=O)/C1=N/Nc1ccccc1
+0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID1094287,CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)cc2)CC1
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2953998,Cc1nnc2sc(-c3ccc(NC(=O)c4cccnc4)cc3)nn12
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+,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID649741,CCOC(=O)CNC(=O)CSc1nc2cccnc2n1Cc1ccccc1
+,,,,,,,,0.0,,,,,,0.0,,,CID714823,CCOc1cc(C#N)c(NC(=O)c2cccnc2Cl)cc1OCC
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+,0.0,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,CID672161,COC(=O)c1cc(=O)n2c(-c3ccccc3)csc2n1
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+,,,0.0,,,,,,,,,,,,,0.0,CID617433,Nc1nc(-c2ccccc2)cc(C(F)(F)F)n1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID666823,C=CCSc1nc2c(c(=N)n1CC=C)C1CCCC1S2
+,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,0.0,CID2313812,CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1
+,0.0,,,,,,,,,,,0.0,0.0,,,,CID898295,CC(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(-c2ccccc2)n1
+,,,,,0.0,,0.0,0.0,,,,,,,,,CID536157,CCCCN1CC(COc2ccccc2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID4567717,CC1CCCC(NCC(=O)Nc2ccc(C(N)=O)cc2)C1C
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+,,0.0,,,,,,,0.0,,,,,,,,CID652859,O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID2956144,Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)N2CCN(C)CC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID5771388,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC(C)c2ccccc2)C1
+,0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,CID697374,CCc1ccc(CC)c(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID1930993,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)c1cccc(OC)c1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID2997629,Nn1c(SCc2nc3ccccn3c2Br)nnc1-c1cccnc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2831541,CCCS(=O)(=O)C(=C(Nc1ccccc1)Nc1ccccc1)S(=O)(=O)CCC
+,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,CID39450,CCN(CC)Cc1c[nH]c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1028426,O=C(N/N=C/c1cccc(O)c1)c1ccc(COc2ccc3c(c2)CCC3)o1
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+,,,,,,,,,,,0.0,,0.0,,,,CID1473623,Cc1oc(=O)c(NC(=O)c2ccc(Cl)cc2)cc1C(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1474615,O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID698298,CNC(=S)Nc1ccc(Br)cc1
+,,,,,,0.0,,,,0.0,0.0,,,,,0.0,CID658982,O=C(Nc1nc(=O)c2ccccc2s1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2920363,O=C1NC(=O)C2=Cc3ccc(O)cc3OC2(O)N1
+,,,,,,,,,,,,,0.0,,,,CID2497399,CN(C(=O)CSCC(=O)O)C1CCCCC1
+0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,CID665763,Cn1c(=O)c2c(nc(NC3CCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID649711,Cc1[nH]c2ccc(C(=O)OCCN(C)C)cc2c1C
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0,CID649278,CC1CCCCN1C(=O)c1ccccc1NC(=O)c1ccco1
+,,,0.0,,,,,,,,,,,,,,CID558239,CCOC(=O)c1nnc2ccnn2c1N
+,,,,,,,,,,,,,0.0,,,,CID286290,COc1ccc(CCNC(=O)Cc2cc(OCc3ccccc3)c(OC)cc2[N+](=O)[O-])cc1OC
+,,,0.0,,,,,,0.0,,,0.0,0.0,,,,CID4891,O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1
+,,,,,,,,0.0,,,,,,,,,CID651092,O=C(CC(C(=O)O)C1CCCO1)Nc1cccc(C(F)(F)F)c1
+,,,,,,,,,0.0,,,,,,,,CID2234461,COC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1963060,COCCn1c(-c2ccccc2)nc2c(c(=O)c3ccccc3n2C)c1=O
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3245046,Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID1301802,CSc1ccc(C(=S)N2CCN(CCO)CC2)cc1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,CID665181,COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)CN1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2444347,Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc4c(c3)OCO4)CC2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID662048,COC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C1c1ccncc1
+,,,,,,,0.0,,,,,,,,,,CID5309778,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)O)c3C2=O)CC1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID667055,CN1C(=O)C2(NCCc3c2[nH]c2ccccc32)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4023746,COc1ccccc1N1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CC(C)CC4)CC1
+0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID896784,O=C(Nc1ccon1)c1ccccc1Cl
+0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,,CID646031,Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2CC2CCCO2)c(C)c1
+,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,CID663542,O=C(CSc1ncnc2c1oc1ccccc12)Nc1cccc(F)c1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID864377,CCOC(=O)c1cnc(SCCc2ccccc2)nc1N
+,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID5308506,CN(C1CCCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID661266,OCCNc1c2c(nc3ccccc13)CCCC2
+,0.0,,,,0.0,,,,,,0.0,,,,,,CID654480,CCCCC(=O)Nc1cc2nn(-c3ccc(OC)cc3)nc2cc1C
+,,,,,,,,,0.0,,,,,,0.0,,CID2990241,Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2ccccc2)n(C)c1=O
+0.0,,,0.0,,,,,,,,,,,,,,CID3244932,CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2893169,COc1ccc(CCN2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2887878,COc1cc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2956710,Cc1cccc(C(C)C)c1NC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,0.0,,,,,,,CID3730566,CCCC1S/C(=N\N=C\c2ccc(OC)cc2)N(Cc2ccc(OC)cc2)C1=O
+0.0,,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,CID667142,Cn1c(CCN2CCOCC2)nc2cc(NC(=O)COc3ccccc3)ccc21
+,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID2415229,Clc1c(-c2nnc3n2CCC3)sc2ccccc12
+,,0.0,,,,,,,,0.0,0.0,0.0,,,0.0,,CID1813990,C=CCNC(=O)c1ccc(OC)cc1OC
+0.0,,0.0,,,0.0,,0.0,,,,,,,,0.0,0.0,CID3239053,Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3cccs3)on2)cn1
+,,,,,,,,,,,,,,0.0,,,CID2152064,Cc1ccc(CN2CCc3c(OCc4ccc(F)cc4)cccc3C2=O)cc1
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,CID5031850,CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)CC2c1cccnc1
+,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,,CID953175,CCn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID750661,CSC1=N/C(=C\c2ccc(C)o2)C(=O)S1
+,,,,0.0,0.0,0.0,,,,,,,,,,,CID3235707,COc1ccccc1C(=O)NC(C)c1nc2ccccc2[nH]1
+,,,,,0.0,,,,,,,,0.0,,,,CID1958205,CCCCCCCCOC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O
+,,,,,0.0,,,,,,,,,0.0,,,CID860743,Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID3241921,CC(C)OC(=O)c1cccc(C(=O)O)n1
+0.0,,,,,,0.0,,,,,,,,,,,CID3241605,Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCCC2
+,,,,,,,,0.0,,,,,,,,,CID648969,COc1ccc(CCN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID2087849,COc1ccc(COC(=O)c2nc3nc(C)cc(C)n3n2)cc1F
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2239372,COc1cc(C)c(Cl)cc1S(=O)(=O)NCCCN1CCOCC1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2963971,COc1ccc(NC(=O)C(C)NS(=O)(=O)c2ccccc2)cc1Cl
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID647040,O=C(NC1CCCCC1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
+0.0,,0.0,,,,,0.0,0.0,,,,0.0,,,,,CID892045,Cc1nc(-c2ccccc2)nc2[nH]c(C(C)C)cc(=O)c12
+,,,,,0.0,,,,,,,,,,,,CID960708,COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID765425,CCOC(=O)CC(=O)Nc1ccc(C(=O)OCC)cc1
+,0.0,,,,0.0,,,,,,,0.0,,,0.0,,CID3236422,COc1ccccc1Cn1cnc2cccnc21
+,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,CID671011,CCOC(=O)c1c(C)nc2sccn12
+,,0.0,,,,,,,,,,,,,,,CID647046,N#Cc1nc(COc2ccc(F)cc2)oc1N1CCCC1
+,,,,,,0.0,,0.0,,,,,0.0,,0.0,,CID862125,O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cnccn1
+,,,,,,,,,,,,,,,,0.0,CID3244399,O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCOCC1
+,,,,,,0.0,0.0,,,,,,,,,,CID5389845,COC1=CC(=O)/C(=C2\NNC(C)=C2c2ccc(OC)c(OC)c2)C=C1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID648963,C=CCc1cccc2cc(C(=O)N3CCN(C(=O)OCC)CC3)c(=O)oc12
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID2190841,COc1ccc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1
+,,,,,,,,,0.0,0.0,,,,,,0.0,CID655947,COc1ccc(C2(O)CCN(C(=O)c3c(F)cccc3F)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID902694,N#Cc1cc(Oc2ccccc2)c(-n2nnc3ccccc32)cc1C#N
+,,,,,,,,0.0,,,,,,,,,CID3238246,O=C(CCS(=O)(=O)c1ccc(Br)s1)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,0.0,,,0.0,,,,0.0,,CID1263144,COc1ccc(NS(=O)(=O)c2ccc(OC)c3ccccc23)cn1
+,,,,,,,,0.0,,,,,0.0,,,,CID1051128,CS(=O)(=O)n1nc(-c2ccc(Cl)cc2)nc1SCc1ccccc1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID725170,COc1ccccc1N1CC(=O)C(c2nc3ccccc3s2)=C1N
+,,,0.0,,,,,,,,,0.0,0.0,,0.0,,CID1830536,COc1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID1481485,COC(CNC(=O)c1cc(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c[nH]1)OC
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2215872,CN(CC(=O)Nc1cccc2c1CCCC2)S(=O)(=O)c1ccc(Cl)cc1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID652378,CCOC(=O)Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(C)c1=O
+,,,,,,,,0.0,,,,,,,,,CID3242527,CCN(CC)c1ccc(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID1810473,CCc1cc(C)cc(OCCNC(=O)c2cncc(Br)c2)c1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID2970838,O=C(Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)C1CCCO1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID2901644,CNc1nc(C)c(C(=O)OCC(=O)OC)s1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID3243399,CCCCC(CC)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID3235719,O=C(CCNS(=O)(=O)c1cccs1)N1CCc2ccccc2C1
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID3240008,COc1ccc(CNC(=O)c2noc3c2CCCCC3)cc1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID2111673,O=C(OCCOc1ccc(Br)cc1)c1cnccn1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID645576,COC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID659003,CCCN1C(=O)/C(=C2\SC(N3CCCCC3)=NC2=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID703809,COc1ccc(Cn2c(=S)[nH]c3ccccc32)cc1
+,,,,,,0.0,,,,,,,,,,,CID5771728,Cc1ccccc1C1=C/C(=C2/C=CC=CC2=O)NN1
+,,,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,CID2571427,COC(=O)c1ccc(CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1
+,,,,,,,,,,,,,,0.0,,,CID3204885,Cc1ccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID182228,c1cc(-c2cccs2)nc(-c2cccs2)c1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID5389636,CCCCN1C(=O)NC(=O)/C(=C(/CC)NCCCN(C)C)C1=O
+,,,,,,,,,,,0.0,,,,,,CID4564042,CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(CC)C3
+,,,,,,,0.0,,,,,,,,,,CID662147,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(N(C)C)cc1
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID880264,CC(C)CC(=O)Nc1ccc(OCC(=O)O)cc1
+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID1313100,COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID3238963,CCN(C(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1Cc1ccco1)c1cccc(C)c1
+,,,,,,,,,0.0,,,,,,0.0,,CID1245980,CCc1noc(C)c1C(=O)N1CCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID970677,COc1cc(-c2cn[nH]c2N)cc(OC)c1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID654752,CCCc1[nH]nc2c1C(c1ccc(OCCN3CCOCC3)c(OC)c1)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,,,,,,,CID5349669,COc1ccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1
+0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,CID667282,CS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1
+,,,0.0,,,,,,,,,,,,,,CID595230,O=C(O)c1ccc2cc[nH]c2c1
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID3239611,CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1ccc(C)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID940040,COc1ccc2c(c1)O/C(=C\c1sccc1C)C2=O
+,,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,CID651142,O=C(c1cccnc1Nc1ccc2c(c1)CCC2)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID7080748,Cc1ccc(-n2c(=O)cc(N3CCN(Cc4ccccc4)CC3)[nH]c2=O)cc1
+,,,,0.0,,,,,,,,,,,,,CID2930070,CC12CCC(C(=O)Nc3ccccc3N3CCOCC3)(CC1=O)C2(C)C
+,,,,,,,,,,,,,,0.0,,,CID2111145,O=C(CCN1C(=O)S/C(=C\c2cccs2)C1=O)NC1=NCCS1
+,,,,,0.0,,,,0.0,,,,,,,,CID2888441,CC1C(c2ccccc2)=[N+]([O-])C2(CCCCC2)N1O
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID663194,COc1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1
+,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID2216494,COc1ccc(OC)c(NC(=O)CSc2nnc(CCCO)n2-c2ccccc2)c1
+,,,,,,,,,,,,0.0,,,,,CID2895288,CCCCS(=O)CC(CS(=O)CCCC)OC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16188562,COCCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1
+,0.0,,,,,,,,,,0.0,,,,,,CID895408,O=c1nc(CN2CCN(CCO)CC2)[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2272992,CCN(CC)C(=O)CN(c1cccc(Br)c1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID1454489,O=C1CN=C(Nc2ccccc2Cl)N1Cc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID5389292,O=c1oc2c(CN3CCOCC3)c(O)c(Cl)cc2c2c1CCCC2
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID651824,CCC1C2CN(C(C)=O)CC=C2C(C#N)=C(N)C1(C#N)C#N
+,,,0.0,0.0,,,,,0.0,,,0.0,,,,,CID976913,Cc1nc2ccc(NC(=O)N3CCSCC3)cc2s1
+0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID663268,COc1ccccc1-c1nnc2sc(COc3ccccc3)nn12
+,,0.0,,,0.0,,0.0,,0.0,,,,,,,,CID762542,CC(=O)n1c2ccccc2c2c1c1ccccc1n2C
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,CID3242067,Cc1cc(=O)oc(C)c1C(=O)NCCCN1C(C)CCCC1C
+,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,,CID2121562,Cc1nn(-c2ccccc2)cc1/C=N/O
+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID650758,COc1ccccc1-c1nnc(N(C)C(=O)C2CCCO2)s1
+,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID663834,CCn1nc(NC(=O)c2ccncc2)c2cc3ccc(C)cc3nc21
+,,,,,0.0,,,,,,,,,,,,CID2789583,CCCCOC(=O)c1cccc(NC(=O)C(C)Oc2ccc(OC)cc2)c1
+,,,0.0,0.0,,,,,,,,,,,,,CID3245896,CCn1c(=O)cc(OCC(=O)Nc2ccc(C)cn2)c2ccccc21
+,,,,,,,,0.0,,,0.0,,,,,,CID2433495,CC(C)CNC(=O)COC(=O)c1cncc(Br)c1
+,,,,,,,0.0,,,,,,,,,,CID5310535,COc1ccc(N2CCN(c3cc(=O)n(Cc4ccc(F)cc4)c(=O)[nH]3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2841329,CCOc1ccccc1/C=N/Nc1ccccc1[N+](=O)[O-]
+,,,,,,,0.0,,,,,0.0,,,,,CID5310696,COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2C)C1c1cccnc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID647515,Cc1cc(Nc2ccc(N3CCC(C)CC3)cc2)n2ncnc2n1
+,,,,0.0,,,,,,,,,,,,,CID756536,FC(F)(F)c1cc(-c2ccccc2)nc(N2CCCCC2)n1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID2997760,COc1cccc(C(O)c2cnc(C(C)C)n2C)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2901100,Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2587357,Cc1cc(C)n2nc(SCn3nnc4ccccc4c3=O)nc2n1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID655700,COc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCCO2)S(C)(=O)=O
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID2238182,O=C(C1CCC(C(=O)N2CCCCC2)CC1)N1CCCCC1
+,,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,CID3235743,CCC(CO)n1cnnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID1454321,Cc1cc2cc(C#N)c(N3CCN(S(C)(=O)=O)CC3)nc2cc1C
+,,,,,,,,,,,,,0.0,,,,CID2559734,CCN(CC(=O)Nc1ccccc1OC)CC(=O)Nc1sccc1C#N
+,,,,,,,,0.0,,,,,0.0,,,,CID986571,COc1ccccc1N1CCN(C(=O)c2oc3cc(C)cc(C)c3c2C)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1536396,Cn1cccc1/C=N/NC(=O)c1ccc[n+]([O-])c1
+,,,,,,,,,0.0,,,,0.0,,,,CID2175488,CCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID645774,COc1cccc(-n2c(SC)nnc2-c2cnccn2)c1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID663438,O=S(=O)(c1cccc(-c2cn3cccnc3n2)c1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID5071932,COC(=O)c1cn(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID5310335,CC1=CN2C(=O)C(=C\NO)/C(=N/c3ccccc3)N=C2C=C1
+,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID648947,COc1ccc(OC)c(NC(=O)C(CC(=O)O)NCc2ccco2)c1
+,,,,,,,,,,,,,0.0,,,,CID16191144,O=C(NCc1cccc(Cl)c1)c1cc(COc2ccc3ncccc3c2)on1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,CID3238008,CCOC(=O)C1CCCN(C(=O)CCC(=O)Nc2ccc3nc(N4CCOCC4)cc(C)c3c2)C1
+,,,,,,,,0.0,,0.0,,,,,,,CID2962052,Cc1nn(CC(O)COc2ccc3c(c2)CCC3)c(C)c1Br
+,,,,,,,,,,,0.0,,,,,,CID993463,COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1846652,CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID5307392,CCOC(=O)N1CCN(C(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1
+,,,,,0.0,,,,,,,,,0.0,,,CID2870846,O=[N+]([O-])c1ccc(NCCCN2CCOCC2)c(Cl)c1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,,CID663610,Cc1nc(NC2=NCN(Cc3ccco3)CN2)nc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2436593,Cc1cc(C)cc(C(=O)NCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)c1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID3245307,Cc1ccc(C2=N/C(=C/N3CCOCC3)C(=O)O2)cc1
+,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,CID675085,COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)C1
+,,,,,,,0.0,,,,,,,,,,CID5712,OCc1ccc(-c2nn(Cc3ccccc3)c3ccccc23)o1
+,,,,,,,,,,,,,,,0.0,,CID5389820,CCCCCOC(=O)C1C2C=CC3(CN(CCCOC)C(=O)C13)O2
+,,,,,,0.0,,,,,,,,,,0.0,CID761929,Brc1ccc2[nH]ncc2c1
+,0.0,,,,,,,0.0,,,0.0,0.0,,,,,CID2972851,CC(=O)Nc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1341004,CC1(C)CC(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)C1
+0.0,,,,,,,,0.0,,,,,,,,,CID662738,CN(C)c1ccc(CN(C(=O)COc2ccc(Br)cc2)C2CCS(=O)(=O)C2)cc1
+,0.0,0.0,0.0,,,,,,,0.0,,,,,,,CID3237871,CCN1CCN(C(c2cccs2)C(C)NC(=O)CC(C)C)CC1
+,,0.0,,,,,,,,,,,,,,0.0,CID654905,COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID5215549,COc1ccc(NC(=O)C(NC(=O)c2ccc(=O)[nH]c2)c2ccc(OC)cc2)cc1
+,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,CID651231,CCc1ccc2[nH]c(=O)c(CN(CCN(CC)CC)C(=O)NC3CCCCC3)cc2c1
+,,,,,0.0,,,,,,,,,0.0,,,CID691131,O=C(/C=C/c1ccccc1)Nc1ccc(Cl)cn1
+0.0,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,CID805851,COc1ccc(/C=N/O)cc1COc1ccc(NC(C)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2301666,Cc1ccc(NC(=O)c2ccccn2)c(Br)c1
+,,,,,0.0,,,,,,,0.0,,0.0,,,CID100081,O=C(NC(Cc1ccccc1)C(=O)O)OCc1ccccc1
+0.0,0.0,,0.0,,,0.0,,0.0,,,,,,,,,CID2102259,O=C(CSc1nnc2ccccn12)NCCN1C(=O)CSC1=O
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+,,,,,,,,,,,0.0,,,,,,CID1815725,Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccccn4)c3C)C2=O)c1
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+,,,,,,,,,,,,,,,,0.0,CID661532,CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC2(CC1)OCCO2)OCO3
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+,0.0,,,,,,,,,,,0.0,,,,,CID4165356,CC(C)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c2C(N)=O)C1
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+,,,0.0,,,,0.0,,,,,,,,,,CID3240315,CCCC(=O)Nc1sc(C(=O)OC)c(C)c1C(N)=O
+0.0,,,0.0,,,,,,,,,,,,,,CID3238553,CCCCN(CC)C(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
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+,,,,,,,,,,,0.0,,0.0,,,,CID1474692,Cc1ccc(COc2coc(CO)cc2=O)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID752669,CC(=O)OCc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
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+,,0.0,,0.0,,,,0.0,,,,,,,,0.0,CID2349433,O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nnc(-c2ccc(Cl)cc2)o1
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+,,,,,0.0,,,,,,,,,,,,CID3215619,Cc1ccc(C(C(=O)NCc2ccco2)N(C(=O)CNC(=O)c2cccs2)c2ccccc2C)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID2346426,CCOCCCn1c(-c2ccc(Cl)cc2)n[nH]c1=S
+,,0.0,,,,,,,0.0,,,,,,,,CID665329,COc1ccc(CN2C(=O)C3ON=C(c4ccc(F)cc4)C3C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1287365,Cc1ccc(SCC(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1
+,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,,CID310138,COC(=O)c1ccccc1NC(=O)c1ccco1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,0.0,CID665045,CC(=O)NCCC(Cc1ccccc1)c1ccco1
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+,,,,,,0.0,0.0,,,,0.0,,,,0.0,,CID279883,CCc1ccc(NC(=O)c2cccnc2)cc1
+,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,0.0,0.0,CID3240387,CC(C)OC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1
+,,0.0,,,,,,,,0.0,,,,,,,CID3115587,COc1ccc(OC)c(C(C)NC=O)c1
+,,,,,,,,,,0.0,,,,,,,CID4810884,CCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID2892111,CC(C)n1c(CCCO)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1471329,Cc1ccc(Sc2ncccc2/C=N/O)cc1
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+,,,,,,,,0.0,,,,,,,,,CID667205,COC(=O)CSc1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID3244876,COc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1
+,,0.0,,,,,,,,,,,,,,,CID5310006,NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID659581,COc1ccc(/C=N/n2cncn2)cc1CSc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1419478,O=C(Nc1ccc(F)cc1)Nc1nnc(COc2ccccc2F)s1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID659208,CCCSc1nnc2n(-c3ccccc3OC)c(=O)c3c4c(sc3n12)CCC4
+,,,,,,,,,,,0.0,,,,,,CID1971017,Cc1nc2nc3c(c(=O)n2[nH]1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID827999,CC(=O)/N=c1\n(C)c2ccccc2n1CCOc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5143677,O=C(c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID834938,CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1
+0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,CID1311750,COc1cc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c2ncccc2c1
+,,,,,0.0,,,,,,,,,,,,CID5739581,CC1=CC(C)(C)N2C(=O)/C(=C3\NC(=S)NC3=O)c3cc(OC(=O)c4cccc5ccccc45)cc1c32
+,,0.0,0.0,,,,,,,,,,,,,,CID5308331,COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(=O)N2CCOCC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID4965237,COc1ccccc1Nc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)s1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID667071,Cn1c(CCNC(=O)c2ccco2)nc2cc(NC(=O)c3ccco3)ccc21
+,,0.0,,,,,,,0.0,,,,0.0,,,,CID606400,Cc1cc(=O)c2cc(Cl)ccc2[nH]1
+,,,0.0,,,,,,,,,0.0,,,,,CID656090,Cc1cc(C)c(C#N)c(SCC(=O)CC(=O)OC(C)C)n1
+,,,,,,,,,,0.0,,,,,,,CID1122209,CCn1cc(C(=O)Nc2nnc(C)s2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21
+,,,,,,,,,,,,,,0.0,,,CID920261,CCNC(=O)Nn1c(-c2ccccc2)nc2ccccc2c1=O
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+,,,,,0.0,,,,,,,,,,,,CID5308488,CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2
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+,,,,,,,,,,,,,0.0,0.0,,,CID891954,CCOC(=O)C1CCN(C(=S)Nc2cc(C)ccc2C)CC1
+0.0,,,,,,,,,,,,,,,,,CID2965628,O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CCN(C(=O)C2CCCO2)CC1
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+,,,,,0.0,,,,,,,,,,,0.0,CID662865,COc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccco1
+,0.0,,0.0,,,,,,,,,,,,,,CID3241215,Cn1c(C(=O)NCCCn2ccnc2)cc2c(=O)n3ccccc3nc21
+,0.0,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,CID597354,CC(=O)C(C(C)=O)=C(N)N1CCN(C(c2ccccc2)c2ccccc2)CC1
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+,0.0,,,,,0.0,0.0,,,,,,,,,,CID645321,COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2Cc2cccnc2)c1
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+,0.0,,,,,,,,,,0.0,,,,,,CID610464,CCN(CC)c1nc2n(c(=O)n1)CCN2CC
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+,,,,0.0,,,0.0,,,,,,,,0.0,,CID1095474,Nc1[nH]c(SCC(=O)N2CCCc3ccccc32)nc(=O)c1-c1ccccc1
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+,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,CID893290,Cc1nc2cc(NC(=O)NCc3ccco3)ccc2o1
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+,0.0,,,,,,,,,,,,,,,,CID660798,Cc1nc2c(c(N3CCOCC3)n1)OCC(=O)N2
+,,,,,0.0,,,,,0.0,0.0,,,0.0,,,CID2186453,CCCCNS(=O)(=O)c1ccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1
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+,,,,,,,,,,,,,0.0,,,,CID903133,COC(=O)c1ccccc1NC(=O)CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID885459,Cc1ccc(C)n1-c1cccc(NC(=O)c2ccccc2)c1
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+,0.0,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,CID657582,COC(=O)c1c(N)c(C#N)c2n1CCCCC2
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+,0.0,0.0,,,,,,,,,,,,,,,CID662998,COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2N)cc1
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+,,,,,,,,,,,0.0,,,,,,CID1368574,CCOc1cc(/C=N/NC(=O)CNc2ccc(C)cc2)ccc1OC(=O)c1ccccc1
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+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID712285,CCN(CC)S(=O)(=O)c1cccc2nonc12
+,0.0,,,,,,,,,,,,,,,,CID654988,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C(C)=O)CC1
+,,,,,,,,,,,,,,0.0,0.0,,CID307157,CN(C)c1ccc(/C=N/c2ccc(N(C)C)cc2)cc1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID665965,COc1cccc(C2=NOC3C(=O)N(Cc4ccccc4)C(=O)C23)c1OC
+,,,0.0,0.0,,,,,,0.0,0.0,,,,,,CID644892,CCn1c(CNc2ccccc2Cl)nnc1SCCN1CCCCC1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2571463,COC(=O)c1ccc(CSc2nc(C)nc3sc(C)c(C)c23)o1
+,,,,,,0.0,,,,,,,,,,,CID1192842,CCN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
+,,,,,0.0,,,,,,,,,,,,CID1909577,CCN(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO
+,,,,,,,,,,0.0,,,,,,,CID5339937,CC1=NC(N)=N/C(=C2/C=CC=CC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID1452257,CCCn1nnnc1SCC(=O)NNC(=O)C1CCCCC1
+,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,,,CID5770693,O=C1C=CC(=C2NN=C(SCC(=O)N3CCc4ccccc4C3)N2Cc2ccco2)C=C1
+,,,,,0.0,,0.0,,,0.0,,0.0,,,,,CID665085,CCc1cc(=O)oc2cc(C)cc(OCc3nn[nH]n3)c12
+,,,,,,,0.0,,,,,,,,0.0,,CID3245670,Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1322682,COc1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID2830804,O=c1c(C(c2ccccc2)c2c(O)sc3ccccc3c2=O)c(O)sc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID1079186,CCCc1cc(=O)oc2cc(OCC(=O)N3CCc4ccccc43)ccc12
+,,,0.0,,,0.0,,,,,,,,0.0,,,CID889176,CCC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID9551169,CC1(C)COC(c2cccn2Cc2ccccc2Cl)=N1
+,,,,,0.0,,,,,,0.0,,,,,,CID728446,O=C(Cc1cccs1)Nc1cccc(-c2nc3ccccc3o2)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID3244796,O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1
+,,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID664170,CCOC(=O)N1CCN(c2nc(SC)nc3sc4c(c23)CC(C)(C)OC4)CC1
+,,,,,,,,,,0.0,,,,,,,CID649777,Nc1cccc(C(=O)Nc2ccc3nc(-c4cccnc4)[nH]c3c2)c1
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID677487,O=C1CCn2cnc3cccc4ccc1c2c43
+,,,,,,,,,,,,,,,,0.0,CID389118,CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,CID2976681,O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1504048,CC(=O)Oc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCOCC1
+,,,,,0.0,,,,,,,,0.0,,,,CID704595,COc1ccc(CCNc2nc(-c3cccnc3)cs2)cc1OC
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2295099,C=CCNc1nc(NCC)nc(N2CCOCC2)n1
+,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID645297,Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
+,,,,,,,,,,0.0,,,,,,,CID655664,CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1833386,CC1CCN(S(=O)(=O)c2cccc(-c3csc(-c4cccnc4)n3)c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1130092,O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1
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+,,,0.0,0.0,,,,,0.0,0.0,,,,,,,CID652384,Cn1nc(CC(=O)Nc2ccc3c(c2)CCC3)c2ccccc2c1=O
+0.0,,,,0.0,,,,,,0.0,,,,0.0,0.0,,CID648945,Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1CCc2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID3814070,CCSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(CC)OC3
+,,,,,,,,,,,,,0.0,,,,CID360218,CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(C)cc3)c(=O)oc2c1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID645455,O=C(O)CSc1nnc(-c2ccncc2)n1C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2161245,COc1ccc(CC(=O)Nc2nc(-c3cccnc3)cs2)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID725152,COc1ccc(N2CC(=O)C(c3nc4ccccc4s3)=C2N)cc1
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID5308043,CCOC(=O)N1CCN(c2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
+,,,,,,,0.0,,,0.0,,,,,,,CID664310,Cc1nnc(NC(=O)CCC(=O)N2CCN(CCc3ccccc3)CC2)s1
+,,,,,,,,0.0,,,,,,,,,CID848352,O=S(=O)(NC1CCCCCC1)c1ccc(Br)s1
+,,,,,,0.0,,,,,,,,,,,CID646099,COc1ccc(C2(O)CCN(C(=O)Cc3cccnc3)CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5000909,FC(F)(F)c1cccnc1N1CCN(c2ncnc3nc[nH]c23)CC1
+,,,,,,,,,,,,,0.0,,,,CID2451119,COc1ccccc1NC(=O)/C(=N/OCc1ccc(C#N)cc1)C(C)=O
+,,0.0,,,,,,0.0,,,,,,,,,CID5307822,CCN1CCN(C(=O)c2cc3c(s2)-c2ccccc2S(=O)(=O)C3)CC1
+,,,,,,,,0.0,,,,,,,,,CID3156113,CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(C)c1ccccc12
+,,,,0.0,,,,,,,,,,,,,CID662825,Cc1ccc(-c2n[nH]c(=O)c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1
+,,,,,,0.0,0.0,,,,,,,,,,CID658612,OCc1ccnc2c(O)cccc12
+0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,,CID2233432,Cc1cc2ncn(CCOc3ccccc3C#N)c2cc1C
+,0.0,0.0,,,,0.0,,0.0,,,,,,,,,CID665185,Cc1ccc(S(=O)(=O)c2c(N)n(C)c3nc4ccccc4nc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID2887258,Cc1ccc(-c2csc(NC(=O)C3CC=CCC3C(=O)O)c2C(=O)OC(C)C)cc1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID3243448,COc1ccc(C2N(c3cc(C)on3)C(=O)C3CCCN32)cc1OC
+,,0.0,,,,0.0,,,,,,,,,,,CID5307503,COc1cc(OC)c(NS(=O)(=O)c2coc(C(N)=O)c2)cc1Cl
+0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,,,CID659788,COC(=O)c1cccc(N2C(=O)c3cccnc3C2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID1583466,O=C(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1cc2ccccc2oc1=O
+,,,,,,,,,,,0.0,,,,,,CID1448314,C1CCN(c2c3c(nc4nnnn24)CCCC3)CC1
+,,,,,,,0.0,,,,,,,,,,CID676148,Cc1ccc(C(=O)CSc2nnc(-c3ccco3)o2)o1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID707117,c1ccc(-c2noc(CSc3nnnn3-c3ccccc3)n2)cc1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID661606,CCOC(=O)/C(C#N)=c1\s/c(=C\C(=O)OC)c(=O)n1-c1ccccc1
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID1529015,CCOC(=O)c1c(-c2ccc(C)s2)csc1NC(=O)c1cccs1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID2095889,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(-c4ccco4)o3)CC2)cc1
+,,,,0.0,0.0,,0.0,,,,,,,,0.0,,CID3242747,O=C(NCc1ccccc1)c1noc2c1CCCCC2
+,,,,,,,,,,0.0,,,,,,,CID3201696,CN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID584317,Cc1ccc(OCCn2cnc3c(N)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID1247880,CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1
+,0.0,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID2594234,Cn1cccc1C(=O)Nc1nc(-c2ccccn2)cs1
+,,,,,,,,,,0.0,,,,,0.0,0.0,CID1107621,Cc1cc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c(C)c1
+0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID3236694,CCOC(=O)c1c(NC(=O)c2noc3c2CCCC3)sc(C)c1C
+,,,,,0.0,,0.0,,0.0,,,0.0,,,,,CID1128080,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID5411536,Cc1nc2c(C)cccc2cc1C(=O)NNC=C1C=CC(=O)C=C1
+,0.0,,,0.0,,,,0.0,,,,,,,,0.0,CID329167,COc1nc(Nc2cccc(C(F)(F)F)c2)nc(OC)n1
+,,,,,,,,0.0,,,,,,,,,CID2983410,CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3279717,CN(C)c1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5213189,CC(NC(=O)c1ccc(Cl)cc1Cl)C(c1ccccc1)N1CCOCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID1310485,O=C(c1ccccc1)c1cccc(NC(=O)c2ccc(Br)o2)c1
+,,,,,0.0,,,0.0,,0.0,,,0.0,,,,CID1352622,COC(=O)c1ccc(CN(c2ccccn2)S(=O)(=O)c2ccccc2)cc1
+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID652487,c1ccc(OCCCn2nnc(-c3cccnc3)n2)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,0.0,CID3240061,Cc1ccc(CCNC(=O)c2nnn(-c3cc(C)cc(C)c3)c2N)cc1
+,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID666280,CN1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1
+,,,,,,,,,,,,,,0.0,,,CID1474486,COc1ccccc1-c1cn(C(C)(C)C)nc1C
+0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,,CID3000166,CC(Sc1nncn1C)C(=O)Nc1ccccc1-c1ccccc1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,CID3242853,O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1510654,O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccccn1
+,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,0.0,CID2983279,COC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID971404,CCn1cc(/C=C(/C#N)S(=O)(=O)c2ccccc2)cn1
+,,,,,,,,,,,,,0.0,,,,CID1205868,O=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1
+,,0.0,,0.0,,,,0.0,0.0,,,,,,,,CID654605,CCOCCCN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccc(OC)c1OC
+0.0,,,0.0,,,0.0,,,,0.0,,,,,,0.0,CID651945,COC(=O)c1cccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID1288496,O=C(OCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccncc1
+,0.0,,,0.0,,,,,,,,,,0.0,,,CID666200,COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4672543,O=C(CSc1nc2ccccc2c(=O)n1CCC(=O)N1CCN(c2ccccc2)CC1)NCC1CCCO1
+,,,,,,,,0.0,,0.0,,,,,,,CID2942846,CCC(C)NC(=O)c1ccccc1NC(=O)Nc1ccccc1
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID3238229,COc1ccc(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c(OC)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID3577511,Cc1ccc(N2C(=S)N=C(Nc3ccccc3C)C23CCOC(C)(C)C3)cc1
+,0.0,,,,,,,,0.0,,0.0,,,0.0,,,CID2612876,O=C(Cn1cnnn1)Nc1ccccc1Cc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID3197582,Cc1cccc(C(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)c1
+0.0,,,,,,,0.0,0.0,,,0.0,,,,,,CID682558,Cc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID645968,CCC(C)(C)NC(=O)C(c1ccc(C)o1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
+0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,CID2081485,Cc1ccc2c(CC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)coc2c1
+,,0.0,,,,,0.0,,,,,,,,,,CID3660986,CCOCCCNC(=O)CN1C(=O)CSc2ccccc21
+,,,0.0,0.0,,,,,,,,,,,,,CID653405,Nc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2
+0.0,,,0.0,,,,,,,0.0,,,0.0,,,0.0,CID646743,Cc1cc(C)cc(OCc2nnc(SCC(=O)OC3CCCCC3)o2)c1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID5307151,CCn1c(=O)cc(OCC(=O)N2CCc3ccccc32)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3208717,c1ccc(C(c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2145799,CC(C)CN1C(=O)/C(=C/c2cccc3ccccc23)SC1=S
+,,,,,,,,,0.0,,,,,,,,CID1488087,Cc1ccc(CSc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1
+,,,,,,0.0,,0.0,0.0,,,0.0,,,0.0,,CID2965316,O=C(O)C1CCCCC1C(=O)Nc1nc(-c2cccs2)cs1
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID2227918,O=C(c1ccc2ccccc2n1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID2269543,Cc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
+,,,0.0,,,,,,,,,,,,,,CID5310471,Cc1nc(CNS(=O)(=O)c2ccc3ccccc3c2)cs1
+,,,,,,,,,,0.0,,,,,,,CID2915017,CCOC(=O)c1sc(C)c2c1NC(C)(c1ccccc1)NC2=O
+,,,,,,,,,,,,,0.0,,,,CID1771251,CCCN1C(=O)S/C(=C\c2ccc(N3CCOCC3)cc2C)C1=O
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3564850,CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,0.0,,,CID2978828,CC(=O)N1CCN(c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID4690324,CC(/N=c1\ccccn1C(=O)Nc1cccc(C(F)(F)F)c1)c1ccco1
+0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,CID664447,CC(C)COC(=O)N1CCCC1C(=O)Nc1nccs1
+,,,,,,,,,,,,,,0.0,,,CID938845,Clc1ccc(-c2cnc3n2CCC3)cc1
+,,,,,,,,,,,,,,0.0,,,CID902024,S=c1sc2ncccc2n1-c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2415002,O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2ccccc2n1
+,,0.0,,,,,,,,,,0.0,,0.0,,,CID1248403,COC(=O)Cc1c(C)nc2nc(-c3ccccc3)[nH]n2c1=O
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,,CID662839,COc1ccc(N/C=C(\C#N)c2nc3ccccc3n2C)c(OC)c1
+,,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,CID2999711,CC(O)CNc1nc2ccccc2n1-c1ncnc2sc3c(c12)CCC3
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID4349595,CC1Cc2nc(SCC(=O)NCc3ccco3)n(Cc3ccccc3)c(=O)c2S1
+,,,,,,,,,,,,,,0.0,,,CID3790298,COc1ccc(CC(=O)NCC(=O)N/N=C(\C)c2ccco2)cc1
+,,,0.0,,,,,,,,,,0.0,,,,CID792757,Fc1ccc(CN2CCCCCCC2)cc1F
+,,,,,,,,,,,,,,0.0,,,CID2177741,COC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID2059938,CCCCc1cc2c(c(NC(=O)CC)n1)c(=O)oc1ccccc12
+,,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID660682,CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccccc1Cl
+,,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,CID2958857,CC(=O)Nc1ccc(N2CCOCC2)c(C(=O)Nc2cccc(C)c2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID3244017,Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2354962,NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(OC(F)F)c2)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2949651,Cn1nnc2cc(C(=O)N3CCC(c4ccccc4)C3)ccc21
+,0.0,,,,,,,,0.0,,,,,,,,CID3139880,CCOc1ccc(N2C(=O)CC(N3CC(C)OC(C)C3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5309973,O=C(NCCN1CCCCCC1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID3253165,Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccccc3)c3ccccc23)no1
+,,0.0,,,,,0.0,,,,,,,,,,CID2838638,CCOC(=O)c1c(C)n(CC(COC(C)=O)OC(C)=O)c2ccc(OC(C)=O)cc12
+,,,,,,,,,,,,,0.0,0.0,,,CID561465,Cc1cc(C)c(/N=C2\CCCN2Cc2ccccc2)c(C#N)c1
+,,,,,,,,,,,,,,0.0,,,CID2215404,COc1ccc(NC(=O)C2(c3ccc(NC(=O)c4ccc(C)cc4)cc3)CCCC2)cc1
+,0.0,,,,0.0,,,,,0.0,,,,,,,CID661065,CNc1oc(-c2cccs2)nc1C#N
+0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,,,CID1050422,Cc1c(NC(=O)CSc2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID774300,CCOC(=O)c1c(N)sc(C(=O)N2CCCCCC2)c1C
+,,,,,,,,,,,,,,0.0,,,CID2115687,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)Nc2cc(C)on2)cc1
+,,,,,,0.0,,,,,,,,,,,CID650888,CCOc1ccccc1NC(=O)N1CCCC(c2nc3n(Cc4ccc(C)cc4)[nH]nc-3c(=O)n2)C1
+,,,,,,,,0.0,,,,,,,,,CID749915,Nc1nnc(CCS(=O)(=O)c2ccc(Cl)cc2)s1
+,,,,,,,0.0,,,,,,,0.0,0.0,0.0,CID646828,CCCC(=O)N1c2ccc(-c3csc(N)n3)cc2CC1C
+,,,,,,,,,,,0.0,,,,,,CID7196387,COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID702015,C=C(C)COc1ccc2oc(C)c(C(=O)OC)c2c1
+,,,,,0.0,,,,,,,,,,,,CID11958501,COc1ccccc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID1302022,CN(C)S(=O)(=O)N1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2330261,c1ccc2c(-c3nn4nnnc4c4ccccc34)cccc2c1
+,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,CID876691,C=C1c2ccc(C)cc2NC(=O)N1c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,,CID2405580,COc1ccc(Cc2nnc(SCc3c(C)noc3C)n2C2CCCCC2)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID644833,CCCN1C2CCCC1CC(NC(=O)c1ccccc1F)C2
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID2227158,Cc1ccccc1NC(=O)c1cc(N)ccc1N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID737735,CC(C)(C)NC(=O)c1cc2ccccc2o1
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,,CID702337,N#CC(C(=O)Nc1ccccc1)=C1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2584707,CCN1C(=O)/C(=C/c2cc(C)n(C)c2C)SC1=S
+,0.0,,,,,,,,,,,,,,,,CID653297,CCn1nc(-c2cccs2)nc2c(=O)n(C)c(=O)nc1-2
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID2845400,COc1cc(CNC2CCC(C)C2)cc(OC)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID5309713,Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(F)cc1
+,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID2090020,O=C(Cc1c[nH]c2ccccc12)N1CCc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,,,CID644979,c1ccc(CCn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,CID1130523,CCc1cc2c(=O)c(-c3nc4ccccc4n3C)coc2c(CN2CCN(C)CC2)c1O
+,,,,,,,,,,,,,0.0,,,,CID2242312,CSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1C
+,,,0.0,0.0,,,,,0.0,,0.0,,,,,,CID1241872,COc1cccc(-c2nnc(SCC(N)=O)n2-c2ccc(Cl)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1477229,O=C(O)c1cc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID3243690,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1C
+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID651828,Cc1cccc(-c2nnc(SCC#N)n2Cc2ccccc2)c1
+,,,0.0,0.0,,,,,,,,,,,,,CID659774,CCOC(=O)c1sc(C)c2c1NC1(CCCCC1)NC2=O
+,,,,,,,,,,,,,,,,0.0,CID664159,COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCCC2)cc1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID796660,COc1cc2oc(=O)c(Br)c(C)c2c(OC)c1OC
+,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID1185427,CCOC(=O)c1csc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
+,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,CID623828,COC(=O)C1C(=O)N2CCCSC2=C(C#N)C1c1cccs1
+,0.0,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,CID644671,COc1ccc(S(=O)(=O)N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2443897,Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)n1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,,0.0,CID2157556,Cc1ccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c(C)c1
+,,,,,,,,0.0,,,,,,0.0,,,CID2204326,Cc1cc(Cl)c(S(=O)(=O)N2CCSCC2)cc1OCC(=O)NC1CCCCC1
+,,,,,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,CID657655,Cn1c(=O)oc2cc(C(=O)c3ccccc3)ccc21
+,,,,,,,,,,,0.0,,,,,,CID881454,Cc1cccc(C)c1NC(=O)/C(=C/c1ccco1)c1ccccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1484654,Cc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID866516,c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID2551262,Cc1cc(NC(=O)COC(=O)c2c(C)noc2C)ccc1Br
+,,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,CID3241962,CCn1c(C(=O)N2CCCC(C(=O)O)C2)cc2sccc21
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID646172,COc1ccc(OCC(=O)N2CCN(CC3CC4C=CC3C4)CC2)cc1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID1511511,COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1
+,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID2999379,O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)NC1CCCc2ccccc21
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID1267789,Cc1ccc(-c2nn(CC(=O)NCCN3CCOCC3)c(=O)c3ccccc23)cc1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID2216908,C=CCNc1sc(C(=O)C(C)(C)C)c(N)c1C#N
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID660456,CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2
+,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,CID5429,Cn1cnc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,0.0,0.0,CID646426,COc1ccc(C(=O)Nc2ccc(-c3ccc(C)o3)cc2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,,,,,0.0,,,,,CID3154606,CCOC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2
+,,,,,,,,0.0,,,,,0.0,,,,CID677217,CN1CCN(Cc2ccc(Br)s2)CC1
+0.0,,,,,,,,,,,,,,,,,CID2230655,CC(C)N(C(=O)COc1ccc(Br)cc1Cl)C(C)C
+,,,,,,,,,,,,,0.0,,,,CID2430915,CC(=O)N1CC(=O)N=C1SCC(=O)Nc1nc(C)c(-c2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID1222097,CCOc1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3157896,O=c1sc2ccccc2n1CCCOc1ccccc1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID645729,CCOC(=O)C1=C(C)NC(=O)NC1c1cc2c(cc1Br)OCO2
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID3242237,O=S(=O)(c1ccccc1)N1CCSC1c1ccco1
+,,0.0,,,,,,,,,,,,,,,CID5308326,CCC(C)NC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID2968970,CCNc1nc(N)nc(Oc2ccc(OCc3ccccc3)nn2)n1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID3237613,Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O
+,,,,,0.0,,,,,,,,,,,,CID1118124,COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1
+,,0.0,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,CID3237212,O=C(Cn1ncn2c(cc3ccccc32)c1=O)NCc1ccco1
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+,0.0,,,,0.0,,,,,,,,,,0.0,0.0,CID3239335,CC(C)OCCCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O
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+,,,,,0.0,,,,,,,,,,,,CID1438207,CCc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1
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+,,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID2549330,Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)cc2s1
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+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID1269680,CC(C)(C)NC(=O)c1ccc(COc2ccccc2Br)o1
+,,,,0.0,,,,,,,,,,,,,CID653996,CCN(CC)C(=O)CSc1ncnc2c(-c3cccs3)nsc12
+,,,,,,,0.0,,,,,,,,,,CID659565,Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID713979,CN(Cc1ccccc1)c1oc(COc2ccccc2F)nc1C#N
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+,,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID967894,COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1
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+,0.0,,,,0.0,,0.0,,,,,,,,,0.0,CID687394,CN(C)/C=C/C(=O)c1nnn(C2CCCCC2)c1NC1CCCCC1
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+,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,0.0,,,CID672420,COc1nc(NCc2cccnc2)nc(OC)n1
+,,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,CID1570003,O=C(CCCOc1ccccc1)Nc1ccc2c(c1)OCCO2
+0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,CID3238695,CCc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCC2)cc1
+0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,CID619963,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1289618,Cc1ccc(C)c(C(=O)CSc2nnc(C)s2)c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID3139744,C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(O)cc1
+,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,CID3112940,CC(C)Oc1ccc(C2CNC(=O)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2252321,Cc1cccc(NCN2C(=O)S/C(=C/c3ccccc3Cl)C2=O)c1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1316236,Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(S(C)(=O)=O)sc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1092256,Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1167011,Cc1cccc(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID838623,Cc1s/c(=N\C(=O)c2ccco2)n(C)c1-c1ccc(Cl)cc1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2999936,COc1ccc2oc(=O)c(C(=O)NCC3CCCO3)cc2c1
+,,,,,,,,,,,0.0,,,,,,CID2915916,CN1CCN(c2cc(N3CCCC3)c([N+](=O)[O-])cc2F)CC1
+,,,,0.0,,,,,,,,,,,,,CID2945819,Cc1nnc(SCC(=O)Nc2nc3c(s2)CC(C)CC3)s1
+,,,,,,,,,,,,,,0.0,,,CID3685791,CN(/N=C/c1cc(Br)cs1)c1cnc2ccccc2n1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID2090468,O=C(CN1CCN(Cc2ccccc2)CC1)NC(=O)NCc1ccco1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID974624,Cc1n[nH]c(C)c1SCC(=O)Nc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1959316,Cc1nn2c(COc3ccc(NC(=O)c4ccccc4)cc3)nnc2c2ccccc12
+,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,CID1319087,CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)S(C)(=O)=O
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID2157612,Cc1cc(NC(=O)CS(=O)(=O)c2cn(Cc3cccc(F)c3)c3ccccc23)no1
+,,,,,0.0,,,,,,,,,,,,CID483894,COc1ccc(OC)c(/N=c2/ssnc2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2327921,Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br
+,,,,,,,,,,,,,,0.0,,,CID2295058,CN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N(C)C1=O
+,,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID1252702,CC(C)Nc1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
+,,,,,,,,,,,0.0,,,,,0.0,CID954445,FC(F)(F)c1cccc(N2Cc3ccccc3C2)c1
+0.0,,,,,,,,,,,,,,,,,CID667383,CCOC(=O)N1CCN(c2ncnc3c2oc2nc(C)c4c(c23)CC(C)(C)OC4)CC1
+,,,,,,,,,,,,,0.0,,,,CID928228,CC(=O)Oc1ccc2ccc(=O)oc2c1
+,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,CID3237935,COc1cc(OC)cc(-n2nc(C(=O)N3CCC4(CC3)OCCO4)c3ccccc3c2=O)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID2964886,O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCCO2
+,0.0,0.0,0.0,,,,,,,0.0,,,,,,,CID658127,CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1C
+,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,,CID2999733,CCCCn1ccnc1C(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
+,,,,,0.0,,,0.0,,0.0,,,,0.0,,,CID2105102,Cc1cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2C2CCCC2)no1
+,,,,,,,,,,,,,0.0,,,,CID16195518,O=C(O)c1[nH]c2ccccc2c1CC(=O)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2672641,Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
+,,,,,,,0.0,,,,,,,,,,CID5310513,COC(=O)CSc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1
+,,,,0.0,,,,,,,,,,,,,CID1111827,c1ccc(-c2csc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)n2)cc1
+,,0.0,,,,,0.0,0.0,,0.0,,,,,,,CID666817,CCOC(=O)c1[nH]c2cc3c(cc2c1CCCN1C(=O)c2ccccc2C1=O)OCCO3
+,,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID651737,O=C(NCc1cccnc1)C(C(=O)c1ccc(F)cc1)n1ccccc1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID2997684,NC(=O)C1CC(O)CN1c1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12
+,,0.0,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,CID662433,Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2N)c1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2522474,Cc1ccccc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1
+,,,,,,,,,,0.0,0.0,,,,0.0,,CID3735724,COc1cccc(NC(=O)C(C)Oc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID5067865,CCCCc1ccc2c(c1)c(=O)c(C(=O)c1nn[nH]n1)c(O)n2C
+,,,,,,,,,,,,0.0,,,,,CID895061,CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2Cl)CC1
+,0.0,,,0.0,,,,,,,,,,,,,CID3239355,COc1ccc(OC)c(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1
+,,,,,0.0,,,,,,,,,,,,CID2973485,Cc1ccc(C(=O)NCCOC23CC4CC(CC(C4)C2)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID4371774,CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2cccc3ccccc23)n1
+,,,,,,,,,,,,,0.0,,,,CID1228655,CCOC(=O)c1nn(-c2ccc3ccccc3c2)cc1O
+,,,,,,,,,,,,,,0.0,,,CID333044,N#Cc1c(-c2ccccc2)nc2n1CCS2
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID3000171,CN(C)C(CNC(=O)CSc1nnc(-c2ccco2)o1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID846394,O=c1oc2ccccc2cc1-c1nc2c(s1)CCCC2
+,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,CID660267,N#Cc1c(C#N)c(-c2ccccc2)n(-c2ccc(C(=O)O)cc2)c1N
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1370228,COc1ccccc1N1CCN(C(=O)COc2ccc(C)cc2Br)CC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1262877,O=C(NC1CCCC1)c1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,0.0,,,,,,,,,CID1480839,Cn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID5307896,CCOC(=O)C1CCCN(C(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)C1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID876239,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(Br)o1
+,0.0,0.0,,,,,,,0.0,,0.0,,,,,,CID2158304,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccnc1
+,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID3244707,CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C)ccn3)ccc21
+0.0,,,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,CID888108,O=C(CC(c1ccccc1)c1ccccc1)Nc1ncn[nH]1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2999450,Cc1c(C(=O)OCC(=O)N2CC(C)OC(C)C2)oc2ccc(Br)cc12
+,,,,,,0.0,,,,,,,0.0,,,,CID649388,Cc1oc(C2CC2)cc1C(=O)O
+,,0.0,,,,,,,,,,,,,,,CID2565794,Cc1noc(C)c1CSc1nnc(-c2cc(Cl)ccc2Cl)n1N
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID649543,Cc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12
+,,,,,0.0,,,,,,0.0,,,,,,CID1486935,Cn1sc(NC(=O)c2ccccc2)nc1=O
+,,,0.0,,,,0.0,,,,,,,,,,CID1251127,COc1ccc(-c2nc(=S)c3c(n2CCN2CCOCC2)CC(C)(C)OC3)cc1
+,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID892286,Nn1c(CN2CCCCC2)nc2ccccc2c1=O
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID3236466,COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)NC3CCCCC3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID3637201,COc1ccc(S(=O)(=O)n2nc(N(C)C)nc2N(C)C)cc1
+,,,,,,,,0.0,,,,,,,,,CID2999739,O=C(Cc1c(F)c(F)c(F)c(F)c1F)OC12CC3CC(C1)C(=O)C(C3)C2
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID3245666,CCCCCOC(=O)NCCOC(=O)Nc1ccc(C(=O)OCC)cc1
+,,0.0,,,,,,,,,,,0.0,,,,CID649047,COc1ccc(C(=O)N(Cc2ccco2)C(C(=O)NC2CCCC2)c2ccc(O)cc2)cc1OC
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2850847,CC1=NC2(CCCc3c2no[n+]3[O-])N(O)C1(C)C
+0.0,,0.0,,,,,,0.0,,,,,,,0.0,,CID260088,COc1ccc(Oc2nc(Oc3ccc(OC)cc3)nc(Oc3ccc(OC)cc3)n2)cc1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID650703,Cc1sc2ncnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)c2c1C
+,0.0,,,,,,,,,,,,,,,,CID5310282,COc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCN(C)CC2)cc1C
+,,,,,,,,0.0,0.0,,,,,,,,CID1315800,CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1nccs1
+,,,,0.0,0.0,,,,,0.0,,0.0,,,,,CID3241702,CN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1)Cc1ccccc1
+,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,CID2980950,COc1ccc(S(=O)(=O)N(C)CC(=O)NCc2cccnc2)cc1C
+,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID663349,COc1cccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c1
+,,,,,,,,,,,,,0.0,,,,CID2664760,Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)cc1
+,0.0,,,,,,,,,,,,,,,,CID660112,O=C(Nc1ccccn1)c1ccc(=O)[nH]n1
+,,,0.0,0.0,,0.0,,,,,0.0,,,,,,CID713501,COC(=O)C1=C(C)Nc2ccc(C)cc2S1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID646740,O=C(Cc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID3245621,Cc1c(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1488322,Cn1c(-c2ccc(Cl)cc2)ccc(C#N)c1=O
+,0.0,0.0,,,,,,,,,,,,,,,CID4638586,Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1
+,,,0.0,,,,,,,,,,,,,0.0,CID716701,Cc1n[nH]c(SCc2ccc(Cl)cc2Cl)nc1=O
+,,,,,,,,,,,,,0.0,,,,CID1037907,O=C(NNc1nc(-c2ccc(Br)cc2)cs1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2474873,O=C(COC(=O)CCc1c[nH]c2ccccc12)NCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5310640,Cc1cc(C)n(N/C=C2\C=Nc3ccccc32)c(=O)c1
+,,,,,,,,0.0,,,,,,,,,CID2763895,Cc1ccc(CNC(=O)CSCC(=O)O)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID5309588,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3126472,CCOC(=O)C1CSC(CC(=O)Nc2ccc(OCC)cc2)C(=O)N1
+0.0,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,CID2113030,CCOc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2C#N)cc1OCC
+0.0,0.0,,,,,,0.0,,,,0.0,,,,,,CID2120117,Cc1ccc(C(C)C)c(OCc2nnc3n2CCCCC3)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID651757,CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCCC1
+,,,,,,0.0,,,,0.0,,0.0,,,,0.0,CID867647,O=C1CN(C(=O)CC2c3ccccc3-c3ccccc32)CC(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID11957185,O=C1OC(/C=C/c2cccc([N+](=O)[O-])c2)=N/C1=C\Nc1ccc2ccccc2c1
+,,,0.0,,,,0.0,,0.0,,0.0,,,,,,CID647276,CC1=C(C(=O)OC(C)C)C(C)NC(=O)N1
+0.0,,,,,,,,,,,,,,,,0.0,CID1254469,COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1
+,,,,,,,,,,,0.0,,,,,,CID3135758,O=[N+]([O-])c1ccc(/C(=N/c2cccc3ccccc23)N2CCOCC2)cc1
+,,0.0,,,0.0,,,,0.0,,,,,,,,CID664088,CC(C)(C)OC(=O)N1Cc2ccccc2CC1C(=O)O
+,,,,,,,,,,,,,0.0,0.0,,,CID750457,O=C(c1ccncc1)N1c2ccccc2Sc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID899976,Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2197659,COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)NC3CC3)ccc12
+,,,,,,,,0.0,,,,,,,,0.0,CID2155599,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID1002154,CN(C)c1nc(SCC(=O)Nc2ccccc2)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,,0.0,,,CID16193184,CCOC(=O)c1ccc(NC(=S)N(CCCN2CCCC(C)C2)Cc2cccs2)cc1
+,,,,,,,,,0.0,,,,,,,,CID719067,CSc1nc(C)cc(-n2cc(F)c(=O)[nH]c2=O)n1
+,,,,,0.0,,0.0,,0.0,,,,,,0.0,,CID3244761,COCCCNC(=O)c1ccc2c(=O)n(C3CCCC3)c(=S)[nH]c2c1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3575228,Cc1cc(NC(=O)CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)no1
+,,,,,,,,,,,,,0.0,,,,CID3141771,CCC(C)C(NC(=O)C(C)NC(=O)CNC(=O)OC(C)(C)C)C(N)=O
+,,,,,,,,0.0,,,0.0,,,,,,CID3225082,Cc1ccc2c(c1)N(CC(=O)N(Cc1ccccn1)Cc1ccco1)C(=O)C(C(C)C)O2
+,,,,,,,,,,,,,0.0,,0.0,,CID726387,Cc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID1135784,CCc1nnc(NC(=O)CN2CCN(C(=O)c3ccccc3)CC2)s1
+,,,,,0.0,,,,,,0.0,,,,,,CID1488065,CC(C)(C)c1cc2cccnc2n1Cc1cccc(F)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID138666,CC(=O)Nc1cccc2c1C(=O)NC2=O
+,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID660767,C=CCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID3241088,CCOC(=O)N1CCN(C(=O)CSc2nnc(-c3cc(OC)cc(OC)c3)o2)CC1
+,0.0,,,,,,0.0,0.0,,,,,,,0.0,,CID891903,O=C(CNS(=O)(=O)c1ccccc1)NCc1ccccn1
+,,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID1599870,Cc1ccc(S(=O)(=O)O)c(C)c1N1CCCC1=O
+,,,,,,,,,,,,,,0.0,,,CID4182197,CC(C)(C)C(=O)Nc1nc(-c2ccccc2)ns1
+,,,,,0.0,,0.0,,,,,,,,,,CID5308260,COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3ccccc3)N1CC2
+,,,,,,,,,,,0.0,,0.0,,,,CID2875764,CCC1C(=O)N=C(SCC(=O)Nc2ccccc2)NC1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1370694,Cc1ccc2c(C)nc(Nc3nc(=O)cc(CSc4nc5ccccc5[nH]4)[nH]3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID2569500,COc1cc(C(=O)OCC(C)=O)cc(NC(=O)c2ccco2)c1OC
+,,,,,,,,,,,0.0,,,,,,CID1454129,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,0.0,,CID871690,C(=N/c1nc2ccccc2n1Cc1ccccc1)\c1cccs1
+0.0,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,,CID649076,O=C(c1cn(CC(=O)N2CCCCC2)c2ccccc12)C1CC1
+,,,,,,,,,,,,,,0.0,,,CID2453362,CC(=O)Nc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2787491,Cc1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CCC(C)C3)c(C)c1
+0.0,,,,,,,0.0,0.0,,,,,0.0,,,,CID3243367,CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID877800,c1ccc(N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1227150,O=C(NC(=S)NCCC1=CCCCC1)c1cncc(Br)c1
+,,,,,0.0,,,,,,,,,,,,CID3720072,CSc1nc(NCc2ccco2)c2ccccc2n1
+,,,,,,,0.0,0.0,,,,,,,,,CID2431484,COc1ccc(OC)c(C(=O)COC(=O)c2c(OC)cccc2OC)c1
+,,,,,,,,,,,,,0.0,,,,CID704822,CC(C)CC(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID5308961,CC1CCCCN1CC(=O)c1ccc2cc[nH]c2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID2855227,CC(CCCC(C)(C)O)NCCO
+,,,,,,,,,,,,,0.0,,,,CID999208,COc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
+,,,,,,,1.0,,,,0.0,,,,,,CID3241933,CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)c2cccnc12
+,,,,,0.0,,,,,,0.0,,,,,,CID1838806,CCOc1cccc(Nc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)c1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID3243290,Oc1ccc(CN2CCCc3ccccc32)c2cccnc12
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1478058,Cc1nc(N2CCOCC2)c(C#N)c(C)c1Br
+,,,,,,,,,0.0,,,,,,,,CID3217726,Cc1ccc2[nH]cc(C(=O)NCc3cccs3)c(=O)c2c1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3243981,O=C(CCC1CCCCC1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)(=O)C2
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID2083475,COc1cc(CC(=O)Nc2nccs2)cc(OC)c1OC
+,,,,0.0,,,,,,,,,,,,,CID658820,COCCOC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C12C(=O)Nc1ccccc12
+,,,0.0,,,,,,,,,,,,,0.0,CID782916,OCCN(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID1125097,CCc1nc(C)cn1S(=O)(=O)c1cc(Br)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID16193480,CCOC(=O)c1ccc(NC(=O)NCc2c(C)nn(CC)c2C)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID3238588,COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID571578,O=C(Nc1ccc(Cl)cc1)c1ccncc1
+,0.0,0.0,0.0,,,,,,0.0,,,0.0,,,,,CID1982375,Cc1cc(-c2cccnc2)c(C#N)c(SCC#N)n1
+,,,,,0.0,,,,,,,,,,,,CID5707815,COC(=O)/C=C/CSC1=NC(=O)/C(=C\c2ccc(-n3cncn3)cc2)N1
+,,,,,,,,,0.0,0.0,,,,,,,CID1871088,CCCCSc1nnc(NC(=O)CCc2ccccc2)s1
+,,,,,,,0.0,,,,,,,0.0,,,CID3241726,COc1ccc(N(C(=O)C2CCCCC2)C2C=CS(=O)(=O)C2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID2914281,CC(C)OC(=O)C1CC=CCC1C(=O)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID5862066,O=C(O)/C=C/C(=O)NC1CCS(=O)(=O)C1
+,,,,,,,,,,0.0,,,,,,,CID5307967,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)Nc3c(C)cccc3C)c(C)o2)c1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID654763,Cc1cccc(N2C(=O)SC(N(C)c3ccccc3)C2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID743881,O=C1CCCc2nn(-c3ccccc3)nc21
+,,,,0.0,,,,0.0,,,,,,,,,CID797771,COC(=O)CSc1nnc(SCc2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID4101144,CCC(C)n1c(NC(=O)c2ccccc2)c(C#N)c2nc3ccccc3nc21
+,,,,,,,,,,,,,,0.0,,,CID2285732,COc1cccc(OCCOCCOc2ccc(C)cc2[N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,,,,,CID2128208,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nc(N)cc(N)n1
+,0.0,,,,,,,,,,,,,,,,CID5307778,CCCc1cc(C(=O)NC2CCCC2)no1
+0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID3245002,COc1ccc(/C=N/c2nc3ccccc3n2C)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID9550875,Cc1ccccc1NC1c2ccccc2C(=O)N1Cc1ccco1
+,,,,,,,,0.0,,0.0,,,,,,,CID1471544,CO/N=C(\CS(=O)c1ccc(Br)cc1)c1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2326677,Cc1nc(C)c(C(=O)NNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
+0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,,,CID653698,O=C(Nc1nc2c(s1)CCCC2)C1CCCN1C(=O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2281684,COc1ccc(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)cc1
+0.0,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,,CID647135,COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2888995,CC(C)c1ccc(CNc2cc(N3CCN(S(=O)(=O)c4ccccc4)CC3)ccc2[N+](=O)[O-])cc1
+,,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID2999653,O=C(CC(c1ccco1)C1CCCCC1=O)c1ccco1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3244188,CCCn1c2ccccc2c2nnc(SCC(=O)OCC)nc21
+,,,,,,,,,,,,,,0.0,,,CID1042697,O=C(Nc1ccc(N2CCOCC2)cc1)C1(S(=O)(=O)c2ccccc2)CC1
+,,,0.0,0.0,,,,,,,,,,0.0,,0.0,CID658086,COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CC(C)(C)OC4)o1
+,,0.0,,,,,,,,,,,,,,,CID661174,CCCCOCCCn1c(N)c(C(=O)OCCOC)c2nc3ccccc3nc21
+,,,,,,,,,0.0,,,,,,,,CID5169271,CCc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)cc1
+,0.0,,,,,,,,,,,,,,,,CID2998788,CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccncc1)n2CCOC
+,,,0.0,0.0,,,,,,,,,,,,,CID699167,COC(=O)c1cc(O)c(OCc2ccccc2)c(O)c1
+,,,,,,,,,,,,,,0.0,,,CID2876218,CCOC(=O)c1ccc(NC(=O)C(=O)NCc2ccccn2)cc1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID654816,O=C(NC1CCCCC1)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1
+0.0,,,,0.0,,,,0.0,,,,,,,,,CID651033,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2nnc3cc(F)ccc32)CC1
+,,,,,,,,,,,,,,0.0,,,CID3562364,Cc1ccc(S(=O)(=O)N2CC(c3cccc([N+](=O)[O-])c3)C(C(=O)C3CO3)=N2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID3241296,COc1ccc(Cn2c(CCC(=O)O)nc3cccnc32)cc1
+,,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID654530,Cc1cc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)ccc1-n1cnnn1
+,,,,,,,,,,,0.0,,,,,,CID567713,Cc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID684707,CC(C)Cc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1
+0.0,,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID778683,Cc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccc2)cc1
+0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,CID651469,COc1cc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1OC
+0.0,,,,0.0,0.0,,,,,,0.0,,,,,,CID2895900,O=C(Nc1ccccc1)N1CCN2C(=O)c3ccccc3C12c1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID3241458,CCN1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N(C)C2c2ccc(SC)cc2)CC1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID54308,CC(C)(C)NCC(=O)c1c[nH]c2ccccc12
+,,,,,,,0.0,,,0.0,,,,,,,CID2608786,COc1ccccc1Nc1ncccc1C(=O)O
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3142259,Cc1ccccc1NC(=O)CSC1=C(C#N)C(c2ccsc2)CC(=O)N1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID798232,Cn1c(CN2CCN(c3ccc(Cl)cc3)CC2)nc2ccccc21
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID652531,COc1cc(-c2nnc(-c3cccs3)o2)cc(OC)c1OC
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID2967353,CCOc1ccc(N2CC(C(=O)OC)CC2=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1612558,O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5285231,Cc1ccc(/C=C2\CCC3=C2OC(N)=C(C#N)C3c2ccc(C)cc2)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID2891337,O=C(C1COc2ccccc2O1)N1CCCC1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3240587,Cc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCC4)cnc32)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID2997821,Cc1nnc(NCc2ccco2)c2ccccc12
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,,CID666230,COc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1OC
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID662535,CN(C)C(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID715538,COc1cc(Cn2c(-c3nonc3N)nc3ccccc32)ccc1C
+,0.0,,,,0.0,0.0,,,,,,,,0.0,,,CID665290,Cc1c(C)c2cc(Cl)c(OCc3nn[nH]n3)cc2oc1=O
+,,,,,,,,,,,0.0,,,,,,CID3175316,Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1C
+,,,,,,,,,0.0,,,,,,,,CID849980,COc1cc(S(=O)(=O)n2ccc(C)n2)c(OC)cc1Cl
+,,,,,,,,0.0,,,,,,,,,CID1560402,C=CCNc1ncnc2ccc(Br)cc12
+,,,,,,,,,0.0,,,,,,,,CID2962065,CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID2050860,O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
+,,,0.0,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,CID765753,O=C(Nc1ccc2ccccc2c1)c1cccnc1
+,,,0.0,,,,,0.0,,,,0.0,,0.0,,,CID686775,C(#Cc1ccc(C#CCN2CCOCC2)cc1)CN1CCOCC1
+,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,CID310650,Cc1cccc(NC(=O)Nc2cc(C)on2)c1
+,,,,,0.0,,,,,,,,,,,,CID6183794,CSc1nc2ccccc2cc1/C=C(\C#N)c1cccc(Cl)c1
+,0.0,,,0.0,0.0,,,,,,,,,,0.0,0.0,CID4399554,CCCc1cc(=O)nc(SCC(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)[nH]1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID655201,CCCC(=O)Nc1cc(C)c(NC(=O)c2ccncc2)cn1
+,,,,,,,,,,0.0,,,,,,,CID1208654,Cc1c(NC(=O)CCSc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID2887841,COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C
+,,,,,,,,,,,,,0.0,,,,CID545011,CC(=O)C(=NNc1c(C)n(C)n(-c2ccccc2)c1=O)C(C)=O
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID2927290,COc1ccc2c(c1)C(=O)CC(c1ccccc1F)O2
+0.0,,,,,,,,,,,,,,,,,CID2171942,COC(=O)C1=CN(C(C)C)C=C(C(=O)OC)C1c1cc2c(cc1Br)OCO2
+,,,0.0,0.0,,,,,,,,,,0.0,0.0,,CID722350,Cc1cc(=S)[nH]c2ccccc12
+,,,,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,CID2226500,CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)cc1
+,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,CID654072,Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCS1
+0.0,,,0.0,,,,,,,,,,,,,,CID5309245,COc1ccccc1CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,0.0,,,,,,,,,,,,CID2838100,CN(C)c1ccc(CN2CCCC(O)C2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5309465,CCn1c(=O)cc(OCC(=O)N(C)c2ccccc2F)c2ccccc21
+,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID2203370,O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)N1CCOCC1
+,,0.0,,,,,,,0.0,,,,0.0,,,,CID661696,C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccco2)=[N+]1[O-]
+,,0.0,,,,,,0.0,,,,,,0.0,,,CID649992,O=C(Oc1ccc2cccc(OC(=O)N3CCOCC3)c2c1)N1CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID717684,COc1ccccc1NCC(=O)N/N=C/c1cccnc1
+,,,,,,,0.0,,,,,,,,0.0,,CID3297038,CCCC(=O)NC(C)c1nc2ccccc2n1C
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID2194225,C=CCNC(=O)c1ccccc1NC(=O)Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2204529,O=C(c1ccccc1)c1ccc2nc(-c3ccc(NC(=O)c4ccccc4F)cc3)[nH]c2c1
+,,,,,,,0.0,0.0,,,,,,,,,CID1255614,Cc1ccc(NC(=O)c2ccco2)c(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID1298001,S=C(Nc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1
+0.0,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,,CID2571299,CCOC(=O)Cc1csc(SCC(=O)Nc2cccc(C#N)c2)n1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID1302019,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1
+,,0.0,,,,,,,0.0,,,,,,,,CID654209,Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)cc12
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID2980230,O=C(NCc1ccccn1)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
+,,,,,,,,,0.0,,,,,,,,CID4335915,O=C(c1cnc2sccn2c1=O)N1CCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID3592496,CCOc1ccc(C(=O)NC(Cc2ccccc2)C(=O)OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID2184107,COc1cccc(NC(=O)/C(=C/c2ccc(C)o2)NC(=O)c2ccccc2)c1
+0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,CID644846,O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2127746,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID3235799,COc1ccccc1-c1nnc(Nc2nc3c(OC)cccc3s2)o1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,,,CID79322,O=C(O)c1ccc(S(=O)(=O)c2ccccc2)cc1
+,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,,,0.0,,CID654889,O=C(CCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc2c(c1)OCO2)Nc1ccccn1
+,,,,,,,,,,,0.0,,,,,0.0,CID692130,CCOC(=O)c1ccc(Nc2ncnc3nc[nH]c23)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID3239669,O=C(O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O
+,,,,,,,,0.0,,,,,,,,,CID662505,O=S(=O)(NCc1ccccn1)c1ccc(Br)s1
+,,,,,0.0,,,,,,,0.0,,,,,CID652441,COc1ccc(NC(=O)C2CCCN(c3c4c(nc5ncnn35)CCC4)C2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1310538,CC(=O)Nc1ccc(NC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID661045,COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID4324225,CN(C)CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID797020,Cc1c(NC(N)=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID2766967,NC(=O)C(CCC(=O)c1ccc(Br)cc1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2368895,COC(=O)N/N=C/c1sc(N2CCCCC2)nc1-c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID4126139,CCOc1cc(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)cc(OCC)c1OCC
+,,,,,,,,0.0,,0.0,,,,,,,CID1215650,N#CC1=C(N)NC(SCc2ccc(Br)cc2)=C(C#N)C12CCCCC2
+,,,,,,,,,,,0.0,,,,,,CID1468101,Cc1nc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)sc1C(=O)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2544444,COc1cc(NC(=O)c2cccnc2Sc2ccc(Cl)cc2)cc(OC)c1OC
+,,,,,0.0,,,,,,,0.0,0.0,,,,CID652675,COc1ccccc1OC1=NS(=O)(=O)c2ccccc21
+,,,,,,,,,,,,0.0,,,0.0,,CID2298826,CCCCOC(=O)c1ccc(NC(C)=O)cc1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3244350,CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
+,,,,,,,,,,,,,0.0,,,,CID2101616,Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2s1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID652584,CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccccn1
+,,,,,,,0.0,,,,,,,,,0.0,CID5308816,COc1ccc(NC(=O)c2cc(C3CC3)on2)c(OC)c1
+,,,,,,,,,,,,0.0,,,0.0,,CID77918,c1ccc(Cn2ccnc2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID661644,CCOC(=O)C(c1ccccc1)N1CCN(c2ccc(OC)cc2)CC1
+0.0,,,,,,,,,,0.0,,,,,,,CID1258994,Cc1c(NC(=O)CSc2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,0.0,,,,,0.0,,,,CID612005,O=[N+]([O-])c1cnccc1Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2145821,CCOc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1O
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+,,,,,,,,,,,,,0.0,,,,CID1981901,C=CCSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1
+,,,,,,,,,,,,,,,,0.0,CID3244138,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccccc1Cl
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID655506,CCNc1nc(NC#N)nc(SCC(=O)OCC)n1
+,,,,,,,,,0.0,,,,,,,0.0,CID2948267,CCOC(=O)c1cccc(NC(=O)C2CCCO2)c1
+,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID3244912,COc1cc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)cc(OC)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID658265,CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CNC
+,,0.0,,,,,,,,,,,,,,0.0,CID2999554,COc1ccc(OC)c(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c1
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+,,,,,,,,,,,,,0.0,,,,CID272502,CC(=O)Nc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,0.0,0.0,0.0,,,,,,,,,0.0,,CID2927348,C=CCn1c(SC(CCO)C(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID5308863,CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID663642,CSc1nc(NCc2ccco2)c2c3c(sc2n1)CN(C)CC3
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID2998963,O=C(COC(=O)c1n[nH]c2ccccc12)NC(=O)NC12CC3CC(CC(C3)C1)C2
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID3237683,CCc1ccccc1NC(=O)CN1C(=O)C2CCCN2c2ncc(Cl)cc21
+,,,,,,,,,0.0,,,,,,,,CID650015,CCOC(=O)CN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccccc1C
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+,,,,,,0.0,,,,,,,,,,,CID2729769,O=C(NC1CCS(=O)(=O)C1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,0.0,,,0.0,CID1264203,CCOc1ccc(N(CC(N)=O)S(=O)(=O)c2ccc(F)cc2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID1016304,COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID766425,O=C(O)CCCC(=O)Nc1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID2439063,O=C(CSc1ncn[nH]1)NCCC(c1ccccc1)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID3236594,Cc1nc2sc(C(c3cccc(F)c3)N3CC(C)OC(C)C3)c(O)n2n1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID3236910,CCOC(=O)c1sc2nc(SCC#N)n(CC3CCCO3)c(=O)c2c1C
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID3244601,Cc1ccc(CCNC(=O)C2CCCN(c3nc4ccccc4o3)C2)cc1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,CID646758,Cc1nc(C)c(-c2csc(NCc3ccco3)n2)s1
+,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,,,CID2549945,C=CCn1c(C)cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c1C
+0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID653716,COc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1
+,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,,CID660825,CCN(CC)C(=O)CS/C(=N\c1ccccc1F)NC#N
+,,,,,,,,,,0.0,,,,,,,CID4066042,O=C1CCCC2=C1C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID1193009,CCOc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)nc(C)n3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1474921,CC(C)(C)C(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2306315,COc1ccc(C(=O)CNc2ccc3ccccc3c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5739388,COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c([N+](=O)[O-])cc1OCc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID651532,COC(=O)C1C2C=CC3(CN(CC4CCCO4)C(=O)C13)O2
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID890518,O=C(Nc1ccccc1N1CCCC1)c1ccc(Br)o1
+,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID2114156,CCSc1nnc(Nc2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID5778358,CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccc(F)cc2)C1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID2880298,Cc1cccc(C)c1-n1c(C)cc(/C=N/Nc2ccc([N+](=O)[O-])cn2)c1C
+,,,,,,,,0.0,0.0,,0.0,,,0.0,,,CID858778,CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccccc1)OCO2
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID3244426,CC(=O)NCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID651276,CCOC(=O)c1c(C)oc2ccc(O)c(CN(C)C)c12
+,,,,,,,,,,,0.0,0.0,,,,,CID656003,Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1cccc(F)c1
+,,,,,,,,,,,0.0,,,,,,CID645208,COCc1cc(C)nc2sc3c(=O)oc(C)nc3c12
+,0.0,,,,,,0.0,0.0,,,,0.0,,0.0,,0.0,CID2839830,CC(C)=CCC(C)(C)C1OCCN1C(=O)c1ccccc1
+,0.0,,,,,,,,,,0.0,,,,,,CID604664,COC1(OC)C(N=O)=C(NO)CCC1O
+,,,,,,,,,,,,,0.0,,,,CID16195762,O=C(C1=CC(c2csc3ccccc23)CC(OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2059491,COc1ccc(Br)cc1S(=O)(=O)NCCCN1CCOCC1
+,,,,0.0,,,,,,,,,,,,,CID647243,CCc1cc2cccc(C)c2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID2121596,Nc1c(C(=O)c2cccs2)oc2ccccc12
+,,,0.0,0.0,,,,,,,,0.0,0.0,,,,CID646713,Cn1c(SCc2ccccn2)nnc1-c1cnccn1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2079386,COc1ccc(-c2nc(CC(=O)O)cs2)cc1OC
+,0.0,,0.0,,,,,,,,,,,,,,CID3243096,CCCS(=O)(=O)N1CCCC(C(=O)NCCN(CC)CC)C1
+,,,,,,,,,,,,0.0,,,,0.0,CID2216008,CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID5389493,CC(Nc1ccc2c(c1)CCC2)=C1C(=O)N(C)C(=O)N(C)C1=O
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID866307,CN(Cc1ccccc1)S(=O)(=O)c1cccc2cccnc12
+,,,,,,,,,0.0,0.0,,,,,,,CID1316969,CC(C)NS(=O)(=O)c1ccc(OCC(=O)N(C)Cc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4669152,OCCNc1nc(SCc2ccccc2)nc2sc3c(c12)CCC3
+,,,,,,,,,,,,,,0.0,,,CID2589788,Cc1sc2nc(SCC(=O)N(C)Cc3ccccc3)n(-c3ccccc3)c(=O)c2c1C
+0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,0.0,CID665814,Cc1cc2oc(=O)cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)c2cc1C
+0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0,CID2109648,Cc1cc(C(=O)Cn2nnc3ccccc3c2=O)c(C)n1Cc1cccs1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID1162767,CCOC(=O)c1c(NC(=O)CSc2nnc(Cc3ccccc3)o2)sc(C)c1C
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID665891,COc1cc2c(cc1OC)CN(Cc1cc(=O)n3cc(C)ccc3n1)CC2
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+,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID653179,CCOCCCNC(=O)c1c(-c2ccccc2)noc1C
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+,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,,CID3236402,COC(=O)c1ccc2c(c1)NC(=O)C(N1CCOCC1)S2
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+,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,,,CID868903,Cc1occc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2
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+,0.0,,,0.0,,,,,,,,,,,,,CID3238262,Cc1nc2ccccc2n1CCc1nc2c3ccccc3nc(SCC(=O)NCc3ccco3)n2n1
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+0.0,,,,,,,,,,,,0.0,,,,,CID1314791,CCOC(=O)N1CCC(Nc2ncnc3c2cnn3-c2ccc(Cl)cc2)CC1
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+,0.0,,,0.0,0.0,,,0.0,,,,,,,,,CID2998120,O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCCCC2)c1
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+,,,,0.0,0.0,,,,,,,,,,,,CID3238071,O=S(=O)(NCc1cn2ccsc2n1)c1ccc(Oc2ccccc2)cc1
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+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID648555,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccs1
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+,0.0,,,,,,0.0,,,,,,,,,,CID697693,Cc1cccc(-n2ncc3c(NCc4ccccn4)ncnc32)c1
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+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2242687,O=S(=O)(c1ccc2ccccc2c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2444258,Cc1ccc(-c2csc(NC(=O)CCCc3cccs3)n2)cc1
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+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID2201382,CCCC(=O)Nc1ccc(C(=O)NCC(=O)OCC)cc1
+,,,,,,,,,,,,,,,0.0,,CID658234,N/C(CCN1CCCCC1)=N\O
+,,,,,,,,,,,,,,0.0,,,CID1477573,Cc1cc(C)c(S(=O)(=O)Nc2ccnc(-c3cccnc3)n2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2849946,COC(=O)c1c(NC(=O)Cc2cccs2)sc2c1CCC(C)C2
+,,,,,,,,,,,,,0.0,,,,CID11834480,CCC(C)C(NC(=O)C(NC(=O)c1ccccc1F)C(C)C)C(=O)OC
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+,,,,,,,,,,,,,0.0,,,,CID2772433,CCCCSc1nc2ccccc2n1CC(=O)O
+,,,,,,,,0.0,,,0.0,,,,,,CID792581,Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN(C)C)c32)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550431,CCOC(=O)C1CCCN(c2c(Nc3cc(C)cc(C)c3)c(=O)c2=O)C1
+0.0,,,,,0.0,,,,,,,0.0,,,,0.0,CID3244084,CC1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)CC1
+,,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID5307820,CC1CCc2nn(CC(=O)NC3CCCC3)cc2C1
+,0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,CID645962,COc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc(OC)c1OC
+0.0,0.0,,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,CID665691,CC(C)OC(=O)CSc1ncnc2c1cnn2Cc1ccccc1
+,,,,,,,,,,0.0,,0.0,,,,,CID3240564,N#CCSc1nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c2nc3ccccc3n12
+,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID658467,CN(C)c1cccc2c(S(=O)(=O)N3CCOCC3)cccc12
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+,,,,0.0,,,0.0,,,0.0,,0.0,,0.0,0.0,,CID2226307,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)CSc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4622093,O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Br
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID3242214,CCOC(=O)C1CCCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)C1
+0.0,,,,,,,0.0,0.0,,,0.0,,,,,,CID979227,CC(C)Oc1cccc(C(=O)Nc2ccc(CN3CCOCC3)cc2)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID665198,Cc1ccc(N2C(=O)C3ON=C(c4ccc(F)cc4)C3C2=O)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID964647,O=C1c2ccccc2-c2ncnc3cccc1c23
+,,0.0,,,,,,,,,,,,,,,CID5389771,C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCOC)C2c2cccnc2)cc1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,0.0,CID652254,COc1ccccc1NC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID729707,Cn1cc(/C=C(\C#N)C(=O)Nc2cccc([N+](=O)[O-])c2)c2ccccc21
+0.0,,,,,0.0,,,0.0,,,,,0.0,,,,CID1970183,Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)c(C)c1
+,,,,,,0.0,,,0.0,,,0.0,0.0,,,,CID645883,COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
+,,0.0,0.0,,,,,,,,,,,,,,CID647536,CCCN1C(=O)C2(C(C#N)=C(N)C(C#N)(C#N)C3=CCC(C)CC32)c2ccccc21
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+,,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID664753,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1C
+,,,,,,,,0.0,,,,,0.0,,,,CID890073,COc1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1
+,,,,,,,,,,,,,,0.0,,,CID2411456,O=C(O)c1ccc(Cl)c(S(=O)(=O)NCc2cccnc2)c1
+,,,,,0.0,,,,,,,,,,,,CID9550947,Cc1cccc2c1-c1sc(C(=O)Nc3nccs3)cc1CO2
+,,,,,,,,,,,,,,0.0,,,CID896577,Cc1nc(NC(=O)/C=C/c2ccco2)sc1C
+,0.0,,,,,0.0,,,,,,,,,,,CID314939,Cn1[nH]c(=O)c2ccccc2c1=O
+,,,,0.0,,,,,,,,,,,0.0,,CID2612899,CCCn1c(N)c(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(=O)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID1009749,COc1ccc2ccccc2c1/C=N/NC(=O)c1cccc(Br)c1
+0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,CID654114,CCOc1ccc(N2CC(=O)Nc3ccccc3NCC2=O)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID5740364,Cn1c(=O)c2c(nc(OC/C=C/c3ccccc3)n2C)n(C)c1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID662292,CN1C(=O)NC(NC(=O)c2ccncc2)(C(F)(F)F)C1=O
+,0.0,,,,,,,,,,0.0,,,,,,CID3237634,CC(C)NC(=O)c1n[nH]c(=O)c2ccccc12
+,,,,,,,,,,,,,,,0.0,,CID1388334,Cc1c(/N=C2\SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
+0.0,,,,,0.0,,,,,,0.0,,,,,,CID666835,Cc1[nH]n2c(=O)cc(C(C)C)nc2c1-c1ccccc1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID4048413,COc1ccc(C(=O)NCc2nnc(SC)n2C2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1285962,COc1ccc(NC(=O)c2sc(SCc3ccccc3)nc2N)cc1
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID659113,Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccc(Cl)cc2)n(C)c1=O
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,0.0,CID1262191,O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3240038,COc1ccc(CCNC(=O)CSC2=Nc3ccccc3C3=NC(C(C)C)C(=O)N23)cc1OC
+,,,,,0.0,0.0,,,,,,,,,,,CID3242367,CCOC(=O)C(CC)n1cnc2c(oc3ccccc32)c1=O
+,,,,,0.0,,,,,,,,,,,,CID694611,CCc1ccc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,,0.0,,,,,,,,,,,CID1368289,CCC(=O)OCCn1c(=O)c2cc3c(=O)n(CCOC(=O)CC)c(=O)c3cc2c1=O
+,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,CID1245606,O=C(c1ccc2c(c1)OCO2)N1CCC2(CC1)OCCO2
+,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID676911,Cc1cc(Oc2ccccc2)nc(N)n1
+,,,,,,,,,0.0,,0.0,,,,,,CID3183779,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCCCCC1)OCCO3
+,,,,,,,,,,,,0.0,,,,,CID616915,COC(=O)C1=CN(C2CC2)C=C(C(=O)OC)C1c1ccccc1OC
+,,,0.0,,,,,,0.0,,,,0.0,,,0.0,CID648231,O=S(=O)(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID8932998,Cc1ccc(-n2nnnc2SCn2nnc3ccccc3c2=O)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2978674,CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4ccc(F)cc4)CC3)C2=O)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID651463,Cc1ccccc1OCC(O)Cn1c(NCc2ccco2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,0.0,,0.0,,,CID2234284,Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID975254,O=C1C=C(NCc2ccc(Cl)cc2)CCC1
+,,,,,,,,,,,,,,0.0,,,CID539520,CC(=O)Nc1ccc(-n2cnnn2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID4135295,O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2ccccn2)CC1
+,,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID648490,O=C(Cn1nnc2ccccc21)NC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID2267463,COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID5263280,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(O)c2)N1c1ccccn1
+,,0.0,,,0.0,,,,,,,,,,,,CID5389057,CCCCn1c(N/C=C2\C=C(OC)C=CC2=O)nc2ccccc21
+,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,CID651650,CCn1c(SCC(=O)Nc2ccc(NC(=O)c3ccco3)c(OC)c2)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2360790,NC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID731991,CCOC(=O)c1nc(Nc2ccc(C(C)=O)cc2)c2ccccc2n1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID972542,O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID644450,Cc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID2236132,NC(=O)C1(c2ccccc2)CCOCC1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID2365151,O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCc1ccc2c(c1)OCO2
+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID788071,Cc1cc(=O)oc2cc3c(cc12)OCCN3
+,,,,,,,,,,,,0.0,,,,,CID2338527,O=S(=O)(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID757289,CC(=O)c1cccc(NC=C2C(=O)OC3(CCCCC3)OC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID997475,O=c1oc2cc(OCc3ccc([N+](=O)[O-])cc3)ccc2c2c1CCCC2
+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID2096429,Cn1nnnc1SCC(=O)NCCCc1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2998379,O=C(Nn1cnnc1)c1cc(-c2ccccn2)nc2ccccc12
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID2951041,Cc1ccc2c(c1)C(O)(c1c(C)[nH]c3ccccc13)C(=O)N2
+,0.0,,,,,,,,,,,,,,,,CID3242436,CCCCCn1c(CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID1045607,CCOC(=O)N1CCN(C(=O)c2cc3cc(Br)ccc3oc2=O)CC1
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+,,,,,,,,,,,,,0.0,,,,CID1813404,Cc1ccc(/N=C2/S/C(=C\c3cn(CC(=O)O)c4ccccc34)C(=O)N2C)cc1
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+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID2547678,CCSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1Cc1ccccc1
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+,,,,,0.0,,,,,,,,,,,0.0,CID649592,CC1CCCCC1NC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCC1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3237271,CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)ccc21
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID649330,O=C(NC1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,0.0,,,0.0,,0.0,,,,0.0,,,0.0,CID3240045,CCOc1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1c(C)noc1C
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+,,,,,,0.0,,,,,,,,,,,CID5309184,O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID649328,COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccco2)C2CCCCC2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID1093365,COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
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+,,,,,0.0,,,,,,,,,,,,CID2886104,Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3242712,CC(NC(=O)c1cccc(F)c1)C(c1cccs1)N1CCN(C)CC1
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+0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,CID3236506,COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCCc4ccccc43)c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1731021,Cc1ccccc1NC(=O)CCC(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID2931507,O=C(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID800458,COc1ccc(Br)cc1C(=O)NCc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID2500520,CCc1ccc2c(CN3CCN(S(=O)(=O)c4cccs4)CC3)cc(=O)oc2c1
+0.0,,,,0.0,,,,,,,,,,0.0,,0.0,CID660211,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCN(c2cccc(Cl)c2)CC1
+0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID726955,O=C(NCc1ccccn1)c1ccc(COc2ccc(Cl)cc2)o1
+,,,,,,,,,,,0.0,,,,,,CID5807442,CC(C)c1ccc(Oc2cccc(C(=O)/C(C#N)=C/N(C)C)c2)cc1
+0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0,CID38280,CCCOC(=O)c1cc2ccccc2oc1=O
+,,,,0.0,,,,0.0,0.0,,,,0.0,,,,CID646146,O=C(Cn1c(=O)sc2ccccc21)Nc1nc2c(s1)CCCC2
+0.0,,,,,,,,,,,,,,,,,CID2794,CC(C)/N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2cc1Nc1ccc(Cl)cc1
+,0.0,,,,,0.0,,0.0,,,,,,0.0,0.0,,CID1051370,C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)OC
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+,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID704402,COc1cccc(CN2CCN(C(=O)CC(C)C)CC2)c1
+0.0,,,,,,,,,,0.0,,0.0,,,0.0,,CID707551,O=C(c1ccc2snnc2c1)N1CCSCC1
+,,,,,,,,,,0.0,,,,,,,CID3238277,CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCCC(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID1475715,COC(=O)CSc1cc(C(F)(F)F)nc(-c2ccccn2)n1
+,,,,,0.0,,,,,,,,,,,,CID730823,N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID900899,O=C(O)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,,0.0,,,CID870819,O=C(c1cnccn1)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1487587,Cc1ccc(S(=O)(=O)c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID2231145,CC(=O)Nc1c(O)nc(SCC(=O)Nc2ccc(C(C)=O)cc2)[nH]c1=O
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID894193,Cc1ccc(S(=O)(=O)NCC(=O)NC2CCCCCC2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID645648,CSc1nnc(-c2cnccn2)n1CCCN1CCCC1=O
+,,0.0,,,0.0,,,,,,,,,,,,CID645210,CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(F)cc2)NC(=O)N1
+,,,,,,,,,0.0,,,,,,,,CID1459398,Cc1ccc2c(c1)cc(CN(Cc1cccnc1)C(=O)NCc1ccccc1)c1nnnn12
+,,,,0.0,,,,,,,,,,,,,CID660659,CC1CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC(C)O1
+,,,,,,,,,,,,,0.0,,,,CID2549899,Cc1ccccc1OCC(=O)OCC(=O)Nc1ccc(S(N)(=O)=O)cc1
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+,,,,,,,,,,0.0,,,,,,,CID3212506,CCCc1nnc(SCC(=O)N2CCCCC2C)n1CC
+0.0,,,,,,,,,,,,,,,,0.0,CID4614250,CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2c(c1=O)SC(C)C2
+,,,,,,,,,,,,,,,0.0,,CID3237767,COC(=O)NC1CSCC1OC(=O)CCN1C(=O)c2ccccc2C1=O
+,,,,0.0,,,,,,,,,,,,,CID3240359,CCC(C)(C(=O)NC1CCCC1)N(C(=O)CNC(C)=O)c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2288863,O=[N+]([O-])c1ccccc1OCCOCCOc1cccc2cccnc12
+,,,,,,,,,,,,0.0,,,,,CID966864,CSc1ccccc1C(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2697354,CCOc1cc(/C=C2/COc3ccccc3C2=O)ccc1OCC(=O)N(C)C
+,0.0,,,,,,,,,,,,,,0.0,,CID742744,Cc1ccc(NC(=O)NC2CCCCC2)cc1Cl
+,,0.0,,,0.0,,,0.0,,,,,,,,,CID666451,COc1ccc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc1OC
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID3239831,O=C(Nc1ccccc1O)c1ccc(Cl)cc1
+,,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID2998126,CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2c3ccccc3CC2C)c1C
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+,,,,,,,,,0.0,,,,,,0.0,,CID5309076,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(C3CCCCC3)CC2)C1
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+,,,,,,,,,,0.0,,,,,,,CID1055954,CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2460714,CSc1ccc(Cl)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1
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+,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,,,CID2896998,O=C(Nc1ccc2c(c1)OCO2)C1COc2ccccc2O1
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+,,,,,,,,,,,,,,0.0,,,CID1484290,Nc1ccc(Sc2cc(Cl)nc(N)n2)cc1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID2058449,CCCCN1CCc2c([nH]c3ccccc23)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1101900,Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1
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+,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,,CID2998244,O=C(CSc1nnc(-c2cccs2)o1)NCC1CN(Cc2ccccc2)CCO1
+,,0.0,,,,,,,,,,0.0,,0.0,,,CID667029,Cc1cc(OCc2nn[nH]n2)c2c(-c3ccccc3)cc(=O)oc2c1
+,,,,,,,,,,,,,,,,0.0,CID3245848,CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
+,,,,,0.0,,,,,,,,,,,,CID2883439,O=C(Nc1ccc(Cl)cc1)C1CC(=O)N(c2ccccc2)C1
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+,,0.0,,0.0,,,,,,,,,,,0.0,,CID2091495,Cc1cnc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)s1
+,,,,,,,,,,,,,0.0,,,,CID986573,Cc1ccc2c(C)c(C(=O)Nc3ccc(S(N)(=O)=O)cc3)oc2c1C
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+,,,,0.0,,,,0.0,,,,,,,,0.0,CID649781,CC1CCN(C(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)CC1
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID663528,Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)c1
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+,,,,,,,,0.0,,,,,,,,,CID1446380,O=C(c1ccccc1)N1CCC(O)(c2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID1734120,CN1C(=O)/C(=C/C=C2\SCCN2C)SC1=S
+0.0,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,0.0,CID659577,O=C(Nc1nc2ccccc2n1CCN1CCCC1)C1CCCCC1
+,,,,0.0,,,,,0.0,,,0.0,,0.0,,,CID646580,CC(C)(C)NC(=O)COC(=O)c1snc(C(=O)NC2CCCCC2)c1N
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+,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID3237622,Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3cccc4nonc34)CC2)c1
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+,,,,,,,,,,,,,,,0.0,,CID5389871,Cn1c(=O)c2c(nc(NCc3ccco3)n2C/C=C/c2ccccc2)n(C)c1=O
+,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,CID841534,CC(C)Oc1ccc(C(=O)NCc2cccnc2)cc1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0,CID752948,Cn1cc(Cl)c(C(=O)N(Cc2ccccc2)c2ccccn2)n1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2584870,CC(C)N1C(=O)S/C(=C/c2cccnc2)C1=O
+,0.0,,,,,,,,0.0,,,,,,,,CID3236873,COCCNC(=O)C1CC(=O)N(C2CCCC2)C1
+,,,,,,,,,,,,,,0.0,,,CID3212762,COCCN(C(=O)CCc1ccc(OC)cc1)c1nnc(-c2ccncc2)s1
+,,,,,0.0,,,,,,,,,,,,CID878665,O=C(NCCN1CCCC1=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID6511277,O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1c(F)cccc1Cl
+,,,,,,,,0.0,,0.0,,,,,,,CID78644,O=C(Nc1ccccc1)Oc1ccccc1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID1312523,COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2928803,O=C(Oc1ccc2ccccc2c1Br)N1CCCCCC1
+,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,,,,CID731715,CS(=O)(=O)c1ccc2nc(NC(=O)Oc3ccccc3)sc2c1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID798758,COC(=O)C1CCN(C(=O)COc2ccc(Cl)cc2)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID3239802,O=C1CSC(c2cccnc2)N1C1CCCCC1
+0.0,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID2926635,O=C(NC1CCCCC1)C1CC(=O)N(c2ccc(Cl)cc2)C1
+,,,,,,,,0.0,,,,,,,,,CID655205,O=C(CN1C(=O)COc2ccccc21)N(Cc1cccnc1)Cc1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID3381729,COc1ccc(-c2nc(SC(CC(=O)NCCN3CCOCC3)c3cccs3)n[nH]2)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID3244999,COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)c(OC)n1
+,,0.0,,,,,,,,,,,,,0.0,,CID3244440,COC(=O)c1cn(NC(=O)c2ccc3c(c2)OCO3)c(=O)c2ccccc12
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID3237881,CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21
+0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,CID1296394,COc1ccccc1OCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2846938,CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC(C)C)cc1
+,,,,,0.0,,0.0,0.0,,,,,,,,0.0,CID3241680,CCN1CCN(CCCNC(=O)C(NC(=O)C2CCC(C)CC2)C(C)C)CC1
+,,,,,,,,,,,,,,0.0,,,CID2119305,CCN1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)s2)CC1
+0.0,,0.0,,,,,,,,,,,,,,,CID5771380,CC1=C(C(=O)Nc2ccccn2)C(c2cccnc2)N2NN=NC2=N1
+,0.0,,,,,,0.0,,0.0,,,,,,,0.0,CID3242099,Cc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2976519,CS(=O)(=O)N(CC(=O)Nc1c(F)cccc1F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID2614043,CC(C)CCNC(=O)NC(=O)COc1ncnc2sccc12
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID657479,C=C(C)c1ccc(C(C)(C)NC(=O)N2CCN(C)CC2)cc1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID558869,Cc1ccc(NC(=O)c2nc[nH]c2C(=O)N2CCCCC2)c(C(=O)c2ccccc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1257575,O=C(Nc1cccc(Br)c1)c1ccc(OC2CSC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID707498,Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1C
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID1366419,Cn1c(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21
+,,,,,,,0.0,,,,,,,0.0,,,CID2155099,c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2[nH]cnc2n1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID2969137,O=C(NCc1ccco1)C1OCCc2ccccc21
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3243824,Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1
+,,,,,0.0,,,,0.0,,,,,,,0.0,CID739368,c1ccc2[nH]c(SCCN3CCOCC3)nc2c1
+,,,,,,,0.0,,,,,,,,0.0,,CID56209,CCN(CC)CC(O)Cn1c2ccccc2c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID689483,Cc1cccc(NCC(=O)N/N=C/c2cccc(Br)c2)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID663428,CCCNc1oc(-c2cccc3ccccc23)nc1C#N
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID649493,CCc1nc(NCCc2ccccn2)c2nnn(Cc3ccccc3F)c2n1
+,,,,,,,,,,,,0.0,,,,,CID2997772,COc1ccc(CCN2C(=O)CC(N3CCOCC3)C2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID3647398,O=C(COC(=O)c1ccc(O)cc1)Nc1ccc(N2CCCCC2)cc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,0.0,,CID656333,Cc1onc(-c2ccccc2Cl)c1C(=O)NCCN1CCOCC1
+,,,0.0,,,,,,,,,,,0.0,,,CID2080341,O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
+,,,,,,,,0.0,,,,,,,,,CID4766173,COc1ccc(OCc2cccc(C(=O)Nn3cc([N+](=O)[O-])cn3)c2)cc1
+,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID3238037,CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCOC)ccc2c1=O
+,,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,CID2123527,COC(=O)C1CCN(C(=O)COc2cc3sc(C)nc3c3sccc23)CC1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID661061,CCCn1c(O)c(C(=O)NC)c(=O)c2c1CCCC2
+,,,,,,,,,,,,0.0,,,0.0,,CID5309095,O=C(C1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCn2c1nc1ccccc12
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,CID3239234,COCCn1cc(C(=O)N2CCCC(C)C2)c2c3ccccc3n(C)c2c1=O
+,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID663368,CC1(C)Cc2c(sc3nc(-c4cccs4)n(N)c(=O)c23)CO1
+,0.0,,,,,,,,,,,,,,,,CID3244956,Cc1nc2ncnn2c(C)c1CCC(=O)N1CCc2ccccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID2098390,COc1cc(C(=O)OCC(=O)NCc2ccccc2)cc(NC(=O)c2ccco2)c1OC
+,,,,,,,,,,,,,,,,0.0,CID646215,COc1ccc(C(=O)N2CCCC(c3nc(-c4cccs4)no3)C2)cc1
+0.0,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,CID719070,Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl
+,,,,,,,,,,,0.0,,,,,,CID2255837,CN1/C(=C\C=N\c2ccc3ccccc3c2)C(C)(C)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1484340,O=C1C=C(c2ccc(Cl)cc2)C(=O)N1Nc1ccccc1
+,,,,,,,,,,,,0.0,,,,0.0,CID1254488,O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc2c(c1)OCCO2
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID4230873,Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1c(C)cc2ccccc21
+,,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,,CID2382395,COC(=O)c1ccc2c(c1)S(=O)(=O)N=C(NCc1ccco1)S2
+,,,,,0.0,,,0.0,,,,,,,,,CID1862875,CC(C)c1nc2oc3ccccc3c(=O)c2c(=O)n1-c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID2180987,CCOCCCNC(=O)c1cccs1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID555359,Oc1cnn(-c2ccccc2)c1
+,,,,,0.0,,0.0,,0.0,,0.0,,,,,,CID2326268,C=C(C)c1cccc(C(C)(C)NC(=O)NCCCN2CCCC2=O)c1
+,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,CID2818407,O=C1N=C(Nc2ccccn2)SC1Cc1ccccc1
+0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,CID3241679,O=C(NC1CCCCCC1)C1c2ccccc2C(=O)N1Cc1cccnc1
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID2867055,CC(=O)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID767205,CCOC(=O)c1sc(C)c(C(=O)NC2CCCCC2)c1N
+,,,,,,,,,,,0.0,,,0.0,,,CID11958483,CCCCn1nc2cc(C(=O)N(CC)c3ccc(OC)cc3)ccc2c1OCC
+,,,,,,,0.0,0.0,,,,,,,,,CID2772126,CC(=O)SCCC(=O)N1C(C)CCCC1C(=O)O
+0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID2272440,COc1cccc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)c1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID655764,O=C(NC1CCN(C(=O)Nc2cccc(F)c2)CC1)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2729735,O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)c2ncccc12
+,,,,,,,,,,0.0,,,,,,,CID1132767,CCc1ccccc1NC(=O)CSc1nnc(Cn2cnc3ccccc32)o1
+,,,,0.0,,,,,,,0.0,0.0,,,,,CID1034416,CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(C)cc2)c1
+,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,,CID3235938,CN(CCCNC(=O)COc1cc(=O)n(C)c2ccccc12)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID581022,O=C(O)CSc1ncccn1
+,,,,,,,,,0.0,,,,,,,,CID3220717,O=C(Nc1ccccc1)NC1CC2CCC(C1)N2Cc1nnnn1Cc1ccc2c(c1)OCO2
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID5307382,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(C(=O)c2ccco2)CC1
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID885953,CC(C)NC(=O)CCCc1ccccc1
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+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2697692,N#Cc1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)sc2c1CCCCC2
+,,,,,,,,,,,,0.0,,,,,CID234612,CC(=O)Nc1nnc(C)s1
+,,,,,,,,,,0.0,,,,,,0.0,CID593193,CCOC(=O)CSc1nc(=O)cc(C)[nH]1
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+,,,0.0,,,0.0,,,,,,,,,,,CID63367,Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1
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+,0.0,0.0,,,,,,0.0,,,,,,,,,CID1093438,Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccco3)ccc21
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+,,,,,,,,,,,,,,0.0,,,CID2444158,COc1ccc(CN(C)C(=S)NCCc2ccccc2)c(OC)c1OC
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+,,,,,,,,,,,0.0,,,,,,CID3204316,CCC(C)(C)n1nnnc1C(C(C)C)N(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
+,0.0,,,,,,,,,,0.0,,,,0.0,,CID2147265,Cn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1
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+,,,,,,,,,,,0.0,,0.0,,,,CID2579841,CC(=O)c1cc2c(cc1NC(=O)c1c(-c3ccccc3)noc1C)OCO2
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+,,,,0.0,,,,,,,,,,,,0.0,CID3238654,COc1ccc(CNc2nc3c(c(C(F)(F)F)n2)CCCCC3)cc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,CID3237256,CCOC(=O)C1CCN(c2c(NCCCN(CC)Cc3ccccc3)c(=O)c2=O)CC1
+,,,0.0,,,,,,,,,,,,,,CID2947909,Cc1cc2oc(C(=O)NC3CCS(=O)(=O)C3)c(C)c2cc1C
+,0.0,,,,,,,,,,,0.0,,,,,CID663855,c1nc(NCCN2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4
+,,,,,,,,,,,,,,,0.0,0.0,CID3242627,Cc1noc(C(=O)Nc2ccccc2C(F)(F)F)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID1108174,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID666117,Cc1nnc(SCCn2c(N3CCN(Cc4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1
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+,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID662327,Cc1ccc(OCC(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1
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+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID646166,Cn1c(C(=O)OCC(=O)NCCc2ccccc2)cc2sccc21
+,,,,0.0,,,0.0,,,,,,,,,,CID3242335,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1
+,,,,,,,,,,0.0,,,,,,,CID2019908,Cc1cccc(CSc2ncnc3c2cnn3Cc2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID583067,Cc1ccccc1-c1nn[nH]n1
+,,,,,,,,,,,,,,0.0,,,CID3241521,COC(=O)C(CCSC)NC(=O)CNC(=O)C1CCCCC1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID659607,CCOC(=O)C1CCN(c2nc3ccccc3nc2C(C#N)C(=O)NCCc2ccccc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID655335,CC(C)c1nnc(NC(=O)CCS(=O)(=O)c2nc(-c3cccs3)cc(C(F)(F)F)n2)s1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID650965,N#CCCN1CCN(C(=S)c2ccc(-c3ccc(Cl)cc3)o2)CC1
+,,,,,,,,,,,0.0,,,,,,CID649902,CCn1nccc1C(=O)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID2054449,CCCCNC(=O)c1cc2ccccc2s1
+,,,,,0.0,0.0,,0.0,,,,,,,,,CID660109,COc1ccc(N2CC(=O)N(c3ccc(OC)c(OC)c3)CC2=O)cc1OC
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID661004,Cc1nn(Cc2ccc(C(=O)Nc3nccs3)cc2)c(C)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID755339,O=C(O)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1
+,,,,,0.0,,,,,,,,,,,,CID2263702,CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)c1
+,,,,,,,,,,,0.0,,,,,,CID2953923,O=C(COc1ccc(Br)cc1)Nc1ccc([N+](=O)[O-])cn1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID3244019,CCOC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
+,0.0,,,,,,,,,,,,,,,,CID2314879,CCCCn1c2nc3ccccc3nc2c2c(=N)oc(C)nc21
+,,,,,,,,,,,,,,0.0,,,CID3322432,CCCCCCCn1ccc(=O)c(CC(=O)OC)c1O
+,0.0,,,,,,,,0.0,,,,,,,,CID3238959,O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)N1CCN(c2ccccc2)CC1
+,,,0.0,,,,,,0.0,,,,,,,,CID20415,Cc1ccc(Nc2ncccc2C(=O)O)cc1C
+,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,CID2923199,COc1cc(NS(=O)(=O)c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2)ncn1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID5566232,CN/C=C1\N=C(c2ccccc2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID1525297,O=C(NN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)c1ccncc1
+,,,,,,,,,,0.0,,,,0.0,,,CID3242182,Nc1nc(CSc2nnc(-c3cccc(F)c3)n2-c2ccccc2)nc(N2CCOCC2)n1
+,,,,,,0.0,,,,,,,,,,0.0,CID3242970,CC1CC(=O)N(CC(=O)N2CCCC2)c2ccccc2S1
+,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,CID655648,CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc(OCC)c1OCC
+,,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID653997,CCOc1cc(S(=O)(=O)NCc2ccco2)c(OCC)cc1-n1cnnn1
+,,,,,,0.0,,,,,,,,,,,CID5739974,C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=C(Br)C=CC1=O
+,,,,,0.0,,,0.0,,,,,,,0.0,,CID659289,C/C(NC1CCCCC1)=C(/C#N)C(=O)NCCN1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID5310466,CC1=CC=CN2C(=O)C(=C/Nc3ccc(Cl)cc3)/C(=N/CCO)N=C12
+,,,,,,,,,,0.0,,,0.0,,,,CID801548,O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
+,,0.0,,,,,,,,,0.0,,,,,,CID3236866,O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCO3
+,,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID1310291,COc1ccc(OC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID608764,O=C1CCCc2oc3ccc(O)cc3c21
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID5309462,COC(=O)CN1C(=O)C(O)(CC(=O)c2ccc(Br)cc2)c2ccccc21
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID667241,O=C(O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1
+0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,,,CID2857326,c1cncc(C2CCCCN2Cc2ccc3c(c2)OCO3)c1
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,0.0,,,0.0,CID989525,COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(C)=O)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID667251,Clc1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID657442,CN1C(=O)N(C)C(NC(=O)Nc2ccccc2)C1NC(=O)Nc1ccccc1
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+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID3239573,O=C(c1ccco1)N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1
+,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,CID652979,COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)o3)CC2)o1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID871917,O=C(NCc1ccncc1)c1ccc(Br)o1
+,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID2286174,CCN(CC)C(=O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1768696,CCSC1=N/C(=C\c2cccc(F)c2)C(=O)S1
+,0.0,,,,0.0,,,,,0.0,,,,,,,CID662981,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N1CCOCC1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID870039,O=C(Nc1ccccc1)c1ccc2c(c1)OCCO2
+0.0,,0.0,,,,,,,,,,,,,,,CID1307071,Clc1ccc(Cn2ncc3c(NCc4cccnc4)ncnc32)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID652998,Cc1ccccc1N1C(=O)N(c2cccc(C(F)(F)F)c2)C2CS(=O)(=O)CC21
+,,,,,,,,,,,,,,0.0,,,CID2180719,COc1ccc(CC(=O)Nc2nnc(C(C)C)s2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID1113659,CC(=O)C1=C(C)NC(C)=C(C(C)=O)C1c1ccc(-c2ccccc2Cl)o1
+,,,,,,,,,,,0.0,,,,,,CID5342927,C=CCC1=CC=C/C(=C\Nn2c(C)nnc2C)C1=O
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+0.0,,,,,,,,,,,,,,,0.0,,CID3243862,Cc1ccc(CNC(=O)CCS(=O)(=O)c2cc(Br)cc3c2N(C(=O)C2CC2)CC3)o1
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+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3236363,CCn1c(=O)n(CC(=O)Nc2cc(OC)ccc2OC)c(=O)c2ccccc21
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+,,0.0,,,,,0.0,,,,,,,,,,CID5389733,CCOCCCNC(=O)NC(C)C(=O)OC
+,,,,,,,,,,,,,,0.0,,,CID690398,Cc1nonc1C(=O)N/N=C/c1ccncc1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID644949,CCNc1nc(SC(C)C(=O)OC)nc(N2CCOCC2)n1
+,,,,,,0.0,,,,,0.0,,,,,,CID751500,CCn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID682785,CC(C)(C)N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1Cl
+,,,,,,,,,,0.0,,,0.0,,,,CID725160,NC1=C(c2nc3ccccc3s2)C(=O)CN1Cc1ccccc1
+0.0,0.0,,0.0,,,,,,,,0.0,,,,,,CID651994,COc1ccc(Cn2nnnc2C(c2cccs2)N2CCOCC2)cc1
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+,,0.0,0.0,,,,0.0,,,,,,,,,,CID652704,CCOc1ccc2nc(NCCNC(=O)C(C)C)c(C)cc2c1
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID1829960,CCOC(=O)C1CCN(C(=O)N(C)C)CC1
+,0.0,,,,,,,,,,,,,,,0.0,CID658226,CCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1097821,Cc1cc(C)n2ncc(C(=O)NC3CCCCC3)c2n1
+,,,,,,,,,,,,0.0,,,,,CID655310,CC(=O)OC(C(=O)NCc1ccco1)c1cccnc1
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+,,,,,,,,,,,0.0,,,,,,CID2035623,COCCCn1cnc2oc3nc4ccccc4nc3c2c1=O
+,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,0.0,CID1249967,COc1cccc(C(=O)Nc2cccc(OC(C)=O)c2)c1
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+,,,,,,,,,,,,,,0.0,,,CID9550578,CCOC(=O)c1c(C=O)c(C)n(Cc2ccccc2Cl)c1C
+,,,,0.0,,,,,,,,,,,,0.0,CID3239046,O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cccnc1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,,CID2238690,Cc1cc(C)n2nc(C(=O)NCc3ccco3)nc2n1
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,,CID1192523,CCOc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1511206,CCC(=O)Nc1ccc(OCc2nnc3c4ccccc4c(C)nn23)cc1
+,,,,,,,,,,,,,0.0,,,,CID2097711,Nc1nc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)n[nH]1
+,,,,,,,,,,,0.0,0.0,,,0.0,,CID2258047,COc1ccc(C(=O)/C=C/Nc2cc(C)on2)cc1
+0.0,,,,,,,0.0,,,,0.0,,,0.0,,0.0,CID2998798,COc1ccc(C(CNC(=O)Cn2[nH]c(=O)c3ccccc3c2=O)N2CCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5342351,O=C(O)CN1C(=O)/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)SC1=S
+,,,,,,,,,,,,,0.0,,,,CID2470729,Cc1ccc(NC2=NC(=O)/C(=C\c3ccsc3)S2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1101915,Cc1ccc(-c2nn(-c3cc(Cl)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C
+,,,,,,,,,,,,,0.0,,,,CID2327777,N#C/C(=C\c1ccc(OCc2ccccc2)cc1)C(=O)Nc1nc2c(s1)CCN(Cc1ccccc1)C2
+,,,,,,0.0,,,,,,,,,,0.0,CID1163790,CCC(=O)c1cc(F)c(N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1C
+,,,,,,,,,,,,,,,0.0,,CID2999286,Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID648340,COc1cccc(-n2c(SCC(=O)NC(C)(C)C)nnc2-c2ccoc2C)c1
+,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,CID975498,COc1nc(NCCc2ccc(OC)c(OC)c2)nc(OC)n1
+,,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID653890,COC(=O)COc1cccc(-n2cnnn2)c1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID645663,CC(=O)Nc1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16189151,Cn1cc(CN2CCN(c3ccc(Cl)cn3)CC2)c(-c2ccccc2F)n1
+,,,,,0.0,,,,,,,,,,,,CID2842763,Cc1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c2ccccc2n1
+0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,,,CID646784,COc1ccccc1NC(=O)c1cc2ccc(=O)cc-2oc1NO
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID2367722,Cc1nc2ccccc2nc1OCC(=O)N1CCN(c2ccccc2)CC1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID2958618,CCOC(=O)N1CCN(c2c(F)cc3[nH]c(=S)[nH]c3c2Br)CC1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID663656,CC(COc1cccc2ccccc12)CN1CCN(C)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2296209,CCCCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
+0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID652370,CCCCOc1ccc(-c2nnc(-c3ccncc3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1096735,COc1ccc(Nc2nc(C(=O)N3CCc4ccccc4C3)cs2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3245528,Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCOCC4)C3)sc2n1
+,,,,,,,,,,,,,,0.0,,,CID219591,CCC(CC)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID664377,O=C(Nc1ncc2c(n1)CC(c1ccc(F)cc1)CC2=O)c1ccco1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID652339,CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5936209,N#C/C(=C\c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1
+,0.0,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,CID2218150,CCn1c(SCCC#N)nnc1-c1ccncc1
+0.0,,,,,,,,,,,,,0.0,,,,CID692177,CCOC(=O)Nc1cccc(Cl)c1C
+,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID656314,CCOC(=O)Cc1c(C)[nH]c(-c2ccccc2)nc1=O
+,,,,,,,,,0.0,,,,,,,,CID665716,CCn1c(N)c(C(=O)NCc2ccc3c(c2)OCO3)sc1=S
+,,,,,,,,,,,,,0.0,,,,CID5439911,COc1ccc2nc(N/C=C3\C(=O)N(c4ccc(C)cc4)N=C3C)sc2c1
+,,,,,,,,,,,0.0,,,,,,CID951194,Oc1ccccc1CNc1ccc(Br)cn1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID2849137,CC(C)CNC(=O)CC(c1ccccc1)c1c(O)ccc2ccccc12
+,0.0,,0.0,,,,,,,,,,,0.0,,,CID2194880,c1ccc(OCCCc2nc(-c3cccnc3)no2)cc1
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,CID661380,COc1ccccc1NC(=O)CSc1nnc(-c2ccc(NC(C)=O)cc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID4875908,CCOC(=O)/C=c1\s/c(=C\c2ccc3cc(OC)ccc3c2)c(=O)n1CC(=O)NCC1CCCO1
+0.0,,,,,,,,0.0,,,,,,,,,CID844961,COc1ccc(Cl)cc1NC(=O)c1ccoc1C
+,,,,,,,,,0.0,,,,,,,,CID3365189,O=C(Nc1ccccc1)OCCNC(=O)c1cccc(Cl)c1
+,,,,,,,,,0.0,0.0,,0.0,0.0,,0.0,,CID1081943,COc1ccccc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID874111,Cn1cc(-c2nc3ccccc3[nH]2)c2ccccc21
+0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,CID788732,CCOC(=O)/C=C(\C)Nc1cc(C)nn1-c1ccccc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID655926,COc1cccc(CC(C(=O)Nc2cc(C)ccc2C)c2nn[nH]n2)c1OC
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID807887,COc1ccc2nc(NC(=O)CSc3ccccc3)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID1172465,CCOc1cc(NC(=S)Nc2cccc(OC)c2)c(OCC)cc1NC(=O)C1CC1
+,0.0,,,0.0,,,,,,,,,,,,,CID3238552,O=C(O)c1cccc(N2C(=O)CSC2c2c(F)cccc2Cl)c1
+0.0,,,,,,,,,,,0.0,0.0,,,,,CID3241042,Cc1ccc(CCNC(=O)C2CCC(=O)N2C2CCCC2)cc1
+0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,,CID1744516,Cc1occc1C(=O)NCCCCNC(=O)c1ccoc1C
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+,,,,,,,,,,,,0.0,,,,,CID3245943,CCOC(=O)c1ccccc1NC(=O)CC(C)CC(=O)O
+,,0.0,,,,,,,,,,,,,,,CID619179,Cn1c(=O)c2c(n(C)c1=O)=NC1(CCCCC1)N=2
+,,,,,,,,,,,,,,0.0,,,CID1477643,Cc1cc(Cl)ccc1NC(=O)Cn1cncn1
+,,,,,0.0,,,,,,,,,,,,CID1488235,O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)cc1Cl
+0.0,0.0,,,,,,,,,,,,,,,,CID663167,Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccncc4)n(Cc4ccco4)c3nc12
+,,,,,,,,,,0.0,0.0,,,,,,CID1042823,Cc1ccc(OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1
+,,,,,,,,,,,,,,0.0,,,CID1507060,Cc1cc(OCC(=O)Nc2cnn(CCCC(=O)O)c2)ccc1[N+](=O)[O-]
+,,,,,,,,,0.0,,0.0,,,,,,CID442638,N#CC(c1ccc(O)cc1)N1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID9550195,COc1ccc(OC)c(/C(O)=C/C(=O)C(=O)Nc2cc(C)ccc2OC)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID3243295,Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCC4)C3)c(C)o2)c1
+,,,,,,,,,0.0,,,,,,,,CID2956112,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)c1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,0.0,CID3239443,CC(C)(C)OC(=O)N1CCC(c2cc(=O)[nH][nH]2)CC1
+0.0,,,,0.0,,0.0,,0.0,,,0.0,,,,,,CID647955,COc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2878744,O=c1c([N+](=O)[O-])c(N2CCCCCC2)c2ccccc2n1-c1ccccc1
+,,,,,0.0,0.0,,,0.0,,,,,0.0,,0.0,CID2921452,COc1ccc(CC2C(=O)NC(=O)N(c3ccccc3)C2=O)c(OC)c1
+,,,,,0.0,,,,,,,0.0,,,,,CID3237207,CCCCNC(=O)CCCCCn1c(=O)[nH]c2cc(OC)c(OC)cc2c1=O
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID2553004,Cc1cnc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cn1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID667351,Fc1ccc(-c2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID2104277,Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)c(C)c1
+0.0,,,,,0.0,,,,,,0.0,,,,0.0,,CID662968,CCCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,CID3243535,COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(C)cc1C
+,,,,,,,,,,,,,,0.0,,,CID979996,Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)cc(-c4ccccc4)nc23)cc1
+,,,,,,,,,,,0.0,,,,,,CID3496023,CCOC(=O)CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1
+,0.0,,,,,,,,,,,,,,,,CID3236159,O=C(NC1CC1)C1CSC(c2cccnc2)=N1
+,,,,,,,,,,,,,,0.0,,,CID2347592,CC(C)CCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N
+0.0,,,,,,0.0,0.0,0.0,,,,,,,,,CID1072058,Cc1cccc(OCC(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID732131,O=C(/C=C/c1ccccc1)NCc1ccco1
+,,,,,,,0.0,,,,,,,,,,CID245082,CCC(C)(C)NCCCCCNc1cc(OC)cc2cccnc12
+,,,,,0.0,,,,,,,,,,,,CID4446135,CCCNC(=O)Cn1cnc2sc(C(=O)Nc3ccc4c(c3)OCO4)c(C)c2c1=O
+,,0.0,,,0.0,,,,,,,,,,,,CID3241624,CCn1c(=O)cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID5307599,CC(=O)OC1c2ccccc2C(=O)N1Cc1ccccc1Cl
+,,,,,,,0.0,,,,,,0.0,,0.0,,CID730195,Cc1ccc2nc3n(c(=O)c2c1)CCC3
+0.0,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID1156033,Cc1ccn2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID4550247,CCOCCCNCc1ccc(Cl)cc1
+,,0.0,,0.0,,,0.0,,0.0,,,,,,,,CID664687,CC(C)OCCCNC(=O)c1c(N)n(Cc2cccs2)c2nc3ccccc3nc12
+,,,0.0,,,,,,0.0,,0.0,,,,,0.0,CID878709,CCOC(=O)Nc1c(O)ccc2oc(C)c(-c3ccccc3)c12
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID3239555,CCOc1ccccc1NC(=O)CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID1252116,O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2322122,N#CC1=C2SC=C(c3ccc(Br)cc3)N2CCCC1=O
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID2944253,CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID32030,Cc1cc(C)n(-c2nc3ccccc3s2)n1
+,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID650036,Cn1ccnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C
+,,,,,,,,,,,,0.0,,,,,CID646687,CS(=O)(=O)N(CCC(=O)O)Cc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID4411590,CCOC(=O)c1sc2nc(NC(=O)c3cccs3)sc2c1C
+,0.0,,,,,,,,,,,,,,,,CID647265,CCOC(=O)c1nnn(-c2nonc2N)c1CNC(C)C
+0.0,,,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,CID2120761,O=C(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2570007,COc1cccc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID5953249,COc1cc(/C=C2/N=C(C3CCCCC3)OC2=O)cc(OC)c1OC
+,,,0.0,,,0.0,,0.0,,,,,,,0.0,,CID3242100,COc1ccc(Nc2cc(C(=O)NCCCN3CCN(C)CC3)c3ccccc3n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1381562,Cc1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1
+,,,,0.0,,0.0,,,,,,,,,,,CID763716,C=C1CSc2nc(=O)c3c4c(sc3n21)CCCC4
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID3147898,CC/N=C1/SC(CC(=O)Nc2ccc(N3CCOCC3)cc2)C(=O)N1CC
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID1276757,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCOCC1
+,,,,,,,,0.0,,,,,,0.0,,,CID757690,Cc1cc(=O)oc(C)c1C(=O)NCc1ccccc1
+0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,,,CID663966,Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccn3)cc2)n1
+0.0,0.0,,,,,,0.0,0.0,,,,,,,,0.0,CID2968217,COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2)CC1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID660973,Brc1ccc2c(c1)CNc1c(ncnc1N1CCOCC1)O2
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID4184537,CC(=O)N1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2C#N)C1
+,,,,,,,0.0,,,,,,,,,,CID3242023,CCOC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)cn2C)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID657723,CC1(C)Cc2ccccc2-c2c1c(=O)n(-c1ccccc1)c1nnnn21
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID1148599,CCc1ccccc1N(CC(=O)N1CCN(c2ccccc2)CC1)S(C)(=O)=O
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID3529927,Cc1ccc(/C=c2\sc3nnc(-c4ccccc4Cl)n3c2=O)o1
+,,,,,0.0,,,,,,,,,,,,CID5707725,COc1ccc(/C=C/C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc1
+0.0,,,,,0.0,0.0,,,,,,,,,0.0,,CID654894,CCOC(=O)CCNC(=O)Nc1ccc2nc(C)n(Cc3ccc(Cl)cc3)c(=O)c2c1
+,,,,,,,,,,,,,0.0,,,,CID145611,CCN(CC)c1ccc2c(Cl)cc(=O)oc2c1
+,,,,,,,0.0,,,,,,,,,,CID4914410,O=C(CCn1c(=O)oc2ccccc21)NCCCN1CCCC1=O
+,,0.0,,,,0.0,,,0.0,,0.0,,,,,,CID890248,COc1ccc(CN/C=C2\CCCCC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID892669,c1ccc2c(CSCc3nc4ccccc4[nH]3)cccc2c1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID651434,COCCn1c(Cc2ccccc2)nnc1SCC(=O)N(C)C
+,,,,,,,,,,,0.0,,,0.0,,,CID1353952,COc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2209187,Cc1ccc(CN(c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2)S(C)(=O)=O)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5309032,CCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
+,,,,,,,,0.0,,,,,,,,,CID2020993,COCCNC(=O)Cn1c(=O)n(C)c2ccccc21
+,,,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,CID775878,O=C(c1ccco1)N1CCn2c1nc1ccccc12
+,0.0,,,,,0.0,,,,,,,,0.0,,,CID648786,O=C(CCN1C(=O)CSC1=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID572519,Cc1cc(C)nc(SCc2ccc([N+](=O)[O-])cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3682964,CCOC(=O)c1nnn(CC(=O)N2N=C(c3cc(C)ccc3C)CC2c2ccc(OC)cc2)c1C(=O)OCC
+,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,CID3236758,COc1ccccc1N1CCN(C(CNC(=O)Oc2ccccc2)c2cccnc2)CC1
+,,,,,,0.0,,,,,,,,,0.0,,CID705284,CCOc1ccccc1NC(=O)c1cc(CC(C)C)oc1C
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID4116922,O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID988814,COC(=O)c1cc(COc2ccc3c(c2)oc(=O)c2ccccc23)c(C)o1
+0.0,,,,,,,,,,,,,,,,0.0,CID2947766,COc1cc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccccc2)c(Cl)c(Br)c1O
+,,,,,0.0,,,,,,,,,,,,CID1937554,COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(C)C)cc1OC
+,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,,CID667064,CCOC(=O)Cc1cc(=O)c2c(=O)n(-c3ccccc3)[nH]c2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID7285290,Cc1nc(-c2ccc(Br)cc2)ccc1C(=O)O
+,,,,,,,,,,0.0,0.0,,,,,,CID5658596,O=C(/C=C1\Nc2ccccc2N(c2ccccc2)C1=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID4781030,Cc1csc(SCC(=O)Nc2cccc(S(=O)(=O)N3CCCC3)c2)n1
+,,,,,,,,,,,0.0,,,,,,CID2186104,CCCCC(=O)Nc1cccc(NC(=O)c2ccccc2Br)c1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID649885,CC(C(=O)NCC1(c2ccccc2)CCCC1)N1CCOCC1
+,,,,,,,0.0,,,,,,,,,,CID5390005,CCc1cc2c(CN3CCN(C)CC3)cc(=O)oc2cc1O
+,,,,,,,,0.0,0.0,,,,,,,,CID3180974,CCCCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nnc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID5310540,Cc1cc(NC(=O)CN2CCc3ccccc3C2)nc2c1c(=O)oc1ccccc12
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID3239288,CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID852201,Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID728667,COc1ccc(-n2c(C)ccc2C)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,0.0,,,CID9550516,COc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC
+,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,CID2497035,Cc1nc2ccccc2nc1OCC(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID3193608,COc1ccc(Cn2nnnc2C(c2cccs2)N2CCCCCC2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2998235,CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1C
+,,,,,,,,,,,,,0.0,,,,CID2768179,CCOC(=O)CC(=O)NC(CC(=O)OC)c1ccc(Br)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID3238529,Cc1cc(NC(=O)CSc2nccn2-c2ccc(F)cc2)no1
+,,,,,,,,,,,,,0.0,,,,CID2389808,CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1ccc(F)cc1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2331433,CC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1C
+,,,,,,,,,,,,,,0.0,,,CID671528,Nn1c(COc2ccc(Cl)cc2)nc2ccccc2c1=O
+,,,,,,,,,,,0.0,0.0,,0.0,,0.0,CID2915996,CCC(C(=O)Nc1nc(C)cs1)c1ccccc1
+,,0.0,,,,,,,,,,,,0.0,,,CID1313499,CS(=O)(=O)N(CC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID5771733,Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccn2)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID3242228,O=C(CCn1c(=O)c2ccccc2n(CC(=O)NCCC2=CCCCC2)c1=O)NCc1ccco1
+,,0.0,0.0,,,,,,0.0,,0.0,,,,,,CID2956238,Cc1coc(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID2998,CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID3122239,N#CC1=C(N)Oc2cc(N)ccc2C1c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID673385,O=C(NCc1cccnc1)c1sc2ccccc2c1Cl
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID645726,CC(=O)Nc1ccc2nc(-c3cccnc3)[nH]c2c1
+,,,,,0.0,,,,,0.0,,,,,,,CID1944911,CC(C)Cc1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1CCC2
+,0.0,,,,,,,,,,,,,,,,CID3242528,Cn1nccc1C(=O)Nc1ccc(OC(=O)c2ccnn2C)cc1
+,,,,,,,,,,,,,,,0.0,,CID663899,COc1ccc(CCn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC
+0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID656133,Cc1cccc(-n2c(SCC(=O)Nc3nonc3C)nnc2-c2ccoc2C)c1
+,,,,,,,,,,,,0.0,,,,0.0,CID3238153,O=C(CCn1c(=O)[nH]c2ccsc2c1=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID702419,CCCc1ccc(Oc2cc(Cl)nc(N)n2)cc1
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID655134,CC(=O)C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)C1c1ccc(O)cc1
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,,CID3239312,COC(=O)c1cc2sc(Cl)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC
+,,,,,,0.0,,,,,,,,,,,CID2228369,Nc1nonc1C(=O)NCCNC(=O)c1cccs1
+,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,CID2053792,O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cccc2cccnc12
+,,,,,,,,,0.0,,,,,0.0,,,CID1434012,COc1ccc(OC)c(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID3321231,CCC(C)(C)NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID5307968,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID834866,COc1ccc(CCCc2n[nH]c(=S)o2)cc1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID647864,CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
+0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,0.0,CID2214286,COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1480548,CCCN1C(=O)COc2ccc(C(=O)c3ccccc3C(=O)O)cc21
+,,,,,,,,,,0.0,,,,,,,CID1254489,O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,0.0,,,CID2464693,Cc1cc(SCc2cc(=O)n3ccsc3n2)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2301935,Cc1ccc(C(=O)Nc2cccc(C(=O)N3CCN(C)CC3)c2)cc1
+,,0.0,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,CID747107,COC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1
+,,,,,,,,,,0.0,,,,,,,CID690534,O=C(CC(c1ccccc1)c1ccccc1)NCc1cccnc1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID5310568,O=C(NCc1cn2ccsc2n1)c1c(F)cccc1Cl
+0.0,,,,,,0.0,,,,,,0.0,0.0,,0.0,0.0,CID658997,CC(C)Sc1nc(N2CCCC2)c2c(c1C#N)CC(C)(C)OC2
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID782346,CN1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2948718,Cc1ccc(S(=O)(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID5938579,CON/C=C(\C=N\c1ccc(F)cc1)c1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,,,0.0,,,,,,0.0,CID1095857,Cn1nnnc1SCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2963502,COc1ccc(-c2nc(C#N)c(N3CC(C)OC(C)C3)o2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID2216782,Cc1ccc(Cl)cc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
+0.0,,,0.0,,,,,0.0,,0.0,,,,,,0.0,CID1266501,CC(=O)Nc1cccc(OCC(=O)NS(=O)(=O)c2ccc(Cl)cc2)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID700794,Cn1ncc(Cl)c1C(=O)Nc1cccnc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2842535,Fc1ccccc1N1CC(c2ccccc2)C(c2cccs2)=N1
+,,,,,,,,,,,0.0,,,,,,CID5450844,Brc1ccc(C2=CS/C(=C3/C=Nc4ccccc43)N2)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID802770,C/C(Cl)=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C
+,,,,0.0,,,,,,,,,,,,0.0,CID3244769,COc1cccc(-c2cc(C(F)(F)F)nc(N3CCN(c4ccccc4)CC3)n2)c1
+,,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID3244986,COc1ccc(OC)c(CCNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1
+,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0,CID707238,O=C(COc1ccccc1Cl)NCc1ccco1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID655825,COc1ccc(NC(=O)N(CCCN(C)C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID665276,CCOc1ccc2nc(COC(=O)c3ccco3)c(C(C)=O)[n+]([O-])c2c1
+,,,,,,,,,,,,,0.0,,,,CID4158489,CC1CCCC(NC(=S)NC(=O)c2ccccc2Br)C1C
+,0.0,,0.0,,,,,,,,,,,,,,CID646134,Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(O)COc2ccccc2C)n1
+,,,,,,,,,,,,,,0.0,,,CID2921395,COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)cc1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3238345,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID1482518,COC(=O)c1sc(OC)cc1OCc1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID5983337,CCCCNC(=S)N(C)N/C=C1\C(C)=Nc2ccccc21
+0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,CID2332663,O=C(Nc1cccnc1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID28446,CNc1c2c(nn1C)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID1475006,Cc1ccc(Sc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1
+,,,,,0.0,,,,,,,,,,,,CID9551060,O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2456097,O=C(COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)ccc1O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2767223,O=c1oc(Nc2ccccc2Cl)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1365259,Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID5739804,C=CCN1C(SCC(=O)NCc2ccccc2)=NN/C1=C1/C=CC=CC1=O
+,,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,CID2998381,CCOC(=O)c1sc(NCc2ccco2)c(-c2nc3ccccc3s2)c1N
+0.0,,,,,,,0.0,,,,,,,,,,CID2961632,CCN1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1
+0.0,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,CID2155866,O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)NC1CCCCC1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID2042522,NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1
+,,,,,,0.0,,,,,,,,,,,CID5309394,CCOC(=O)C1CCCN(C(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)C1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,,CID2576539,CCn1c(SCc2nc3ccccc3nc2C)nnc1-c1cccs1
+0.0,,,,,,,,0.0,,,,,,,,,CID1265137,Nc1nc(SCC(=O)Nc2ccc(Br)cc2F)n[nH]1
+,,,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,CID3239641,Cc1ccc2c(c1)N(C(C)C(=O)NCCc1ccccc1)C(=O)CO2
+,,,,,,0.0,,,,,0.0,,,,,,CID2677605,O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)C(=O)N(Cc1ccncc1)C2=O
+,,,,0.0,,,0.0,,,,,,0.0,,,,CID653863,O=C(c1cccs1)N1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1
+0.0,,0.0,,,,,,,,,,,,,,1.0,CID3238898,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)sc2nc(-c4ccccc4)cn23)CC1
+,,,,,,,,,,,,,,0.0,,,CID2371679,O=C(OCn1nnc2ccccc2c1=O)c1cccnc1Cl
+,,,,,,0.0,,,,,,,,,,,CID5308972,Cc1ccc(Nc2cc(C)nc3nc(C)nn23)c(C)c1
+,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,CID646825,CCOC(=O)c1cc2sccc2n1CCCN1C(=O)c2ccccc2C1=O
+,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,CID2381448,CS(=O)(=O)c1ccc2nc(NC(=O)Cc3ccccc3)sc2c1
+,,,,,,,,0.0,,,,,,,,0.0,CID648829,O=CN1CCN(C2CC(=O)N(c3ccc(Br)cc3)C2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID830671,CN1c2cccc3cccc(c23)N(C)C1c1cccs1
+,,,,,,0.0,,,,,,,,,,,CID5771502,COc1ccc(C2CC(c3cc(OC)ccc3OC)N3NN=NC3=N2)cc1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID569519,O=C(CSc1ncn[nH]1)c1ccccc1
+,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,CID2943164,CC(C)Oc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCO4)CC2=O)cc1
+,,0.0,,,0.0,,,,,0.0,,,,,,,CID5308867,COc1ccccc1CNC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1
+,,,,,,,,,0.0,,,,,,,,CID2999796,Cc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)NC(=O)C32)cc1
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID2150748,CCCCC(=O)Nc1nc2c(OC)ccc(OC)c2s1
+0.0,0.0,,,,0.0,,,0.0,,,0.0,,,,,0.0,CID1081925,COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2145753,CCOC(=O)c1c(Cc2ccc(Cl)cc2)c[nH]c1C
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID658921,N#Cc1c(NC(=O)c2ccc(Br)o2)n(-c2ccccc2)c2nc3ccccc3nc12
+,,,,,,,,,0.0,,,,,,,,CID9551390,COc1ccc(N(CC(=O)N2CCCCCC2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID800081,Cc1ccc(SC(=O)COc2ccccc2C)cc1
+,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID653676,CCCn1c(SCC(=O)Nc2nc3c(s2)CCCC3)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID4314832,CO/N=C(/CNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1
+,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,CID650343,COc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1OC
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,CID648695,CCOC(=O)c1ccc(NC(=O)CSc2nccn2C)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID3679021,Cc1c(C(=O)Nc2ccncc2)sc2nc(-c3ccccc3)cn12
+,,,,,,,,,,,0.0,,,,,,CID2095446,O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID5769435,O=c1[nH]c(/C=C\c2cccs2)nc(O)c1[N+](=O)[O-]
+,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,CID2090989,Cc1nc2ccccc2cc1C(=O)NCc1ccco1
+,,0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,CID2998139,COc1ccc2c(c1)CCCC21NC(=O)NC1=O
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID826921,CC(C)(C)c1cc(C(=O)NCc2ccco2)ccn1
+,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID660184,O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID3237122,CCOC(=O)c1cn(CC(=O)Nc2ccc3c(c2)OCCO3)nn1
+,,,,,,,,,,,0.0,,,0.0,,,CID2231792,COc1ccc(C(=O)NCC(=O)OCc2cccc(Br)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID731321,CSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID3242145,Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1
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+0.0,0.0,,,0.0,,,,,,,,,,,,,CID654457,COc1ccc(C(c2nnnn2C(C)(C)C)N2CCN(c3nc4ccccc4s3)CC2)cc1
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+,0.0,,,,,,0.0,,0.0,,,,,,,,CID663455,c1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1
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+,,,0.0,,0.0,,,,,,,,,,0.0,0.0,CID3129852,CSc1nc(C)c2c(n1)OC(CN1C(=O)c3ccccc3C1=O)C2
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3242198,CC(=O)NCC(=O)NC1(C(=O)NC2CCCC2)CCCCC1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID662963,CC1CN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC(C)O1
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+,,,,,,,,0.0,,,,,,,,,CID3152661,Cc1ccc2c(c1)c1c(n2CC(O)Cn2ccnc2C)C(=O)CCC1
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+,,0.0,,,,0.0,,,0.0,,,,,,0.0,,CID2997973,CC(Sc1nc2ccccc2s1)C(=O)N1CCOCC1
+,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,CID647159,Cn1c(SCC(=O)NCC2CCCO2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5072317,CCOC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CCCC2=O
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID5307201,CCOC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,,,,,,,,,,,,0.0,,,,CID3263630,NS(=O)(=O)c1cccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)c1
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+,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID686844,COc1cc(NC(=O)CCc2ccccc2)c(C(=O)O)cc1OC
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+,,,,,,,0.0,,0.0,,,,,,,,CID648644,c1cncc(-c2nnc(-c3ccco3)o2)c1
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+,,,,,,,,,,,,,,0.0,,,CID2116584,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(C)cs2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5310463,CCc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)s1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2172176,O=C1CC(c2ccc(Cl)c(Cl)c2)CC(=O)C1=CNCCN1CCNCC1
+0.0,,,,,,0.0,,,,,,,,,,,CID4361989,COc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1
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+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1152712,COc1ccccc1CCNC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,,,,,,,,,,,0.0,,,,CID6504850,O=C1C=Cc2ccccc2/C1=C/Nc1ccccc1-c1nc2ccccc2[nH]1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID768516,CCCc1c(C)c2ccccc2[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2527230,COC(=O)c1ccc2c(=O)nc(CSc3nc(-c4ccc(F)cc4)cs3)[nH]c2c1
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+,,,,,,,,,,,,,0.0,,,,CID2767064,O=C1C2CC(O)CN2C(=O)N1c1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID9550940,CC(C)N/C=C1\C(=O)Nc2ccccc21
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+,,0.0,,,,,,,,,,0.0,,,,,CID2937693,CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
+,,,,,,,,,,,,,0.0,,,,CID1845211,O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(CN2CCOCC2)cc1
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+,,,,,,,0.0,,,,,,,,,,CID55918,O=C1CCC(c2ccc(-n3ccnc3)cc2)=NN1
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+,,,,0.0,,,,,,,,,,,,,CID659891,CC(=O)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID715711,O=c1cc(C(F)(F)C(F)F)oc2ccccc12
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+,,,,,0.0,,,0.0,,,0.0,,0.0,,,,CID85270,CCOC(=O)c1cnn(-c2ccccc2)c1N
+,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,,CID807523,COC(CCN(C)C)(c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,0.0,,CID1290001,CCC(=O)c1ccc(N2CCN(C(=O)Cc3ccccc3)CC2)c(F)c1
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+,,,,,,,,,,0.0,,,,,,,CID26660,CC(=O)NC(C)Cc1ccccc1
+,,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,CID647013,COCCNC(=O)CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1nccs1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2091123,Clc1ccccc1OCc1nnc(-c2ccccc2Br)o1
+,,,,,,,0.0,,,,,,,,,,CID2970927,O=C(c1cc2c(s1)CCCC2)N1CCN(C(=O)C2CCCO2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3446422,COC(=O)c1nn(-c2ccccc2)c(Sc2ccc(OC)cc2)c1/C=N/O
+,,,,,,,,,,,,,,0.0,0.0,,CID1303069,Clc1cccc(Cl)c1Cn1cnc2c(N3CCCCCC3)ncnc21
+,,,,,,,,,,,,,,0.0,,,CID712811,Cc1cc(C)n2c(SCc3ccccc3Cl)nnc2n1
+,,,,,,,,,0.0,,,,,,,,CID2928104,COc1ccc(OCC(=O)OC(C)CN2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5184997,COc1ccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)cc1
+0.0,,,,,,0.0,0.0,0.0,,,,,,,,,CID2304502,COc1ccc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2855584,O=[N+]([O-])c1ccc(N2CCN(CCOc3nonc3-c3ccccc3)CC2)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1506214,CCCN(CCC)c1nc(=O)nc(N(CCC)CCC)[nH]1
+,,,,,,0.0,,,,,,,,,,,CID2566512,Cc1cc(C(=O)CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c(C)n1Cc1cccs1
+,,0.0,,,,,,,,,,,,,,0.0,CID644424,COc1ccc(C2(O)CCN(Cc3nnnn3Cc3ccc(C)cc3)CC2)cc1
+0.0,,,,,,0.0,,,,,,,0.0,,,,CID788870,O=C(Nc1ccncc1)c1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,0.0,,,,,,,CID3161608,C=CCN1CC(c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O
+,,,,,,,,,,,,,0.0,,,,CID896309,O=C(C1CC1)N1CCCN(C(=O)C2CC2)CC1
+,,,,0.0,,,,,,,,,,,,,CID646235,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)Cc2ccco2)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID2953795,O=C(Nc1ccccc1)c1ccc(NCC2CCCO2)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID4672947,CCCCCCCC(=O)Nc1ccc(C(=O)N/N=C/c2cccc([N+](=O)[O-])c2)cc1
+,0.0,,,0.0,,,,,,,,,0.0,,0.0,,CID2116211,Cc1ccc(O)c(C(=O)c2cnn(C(=O)Cc3csc(C)n3)c2)c1
+0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,0.0,CID850055,CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCc1ccccn1
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID3240284,COc1cccc(NC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID5940455,COC1=CC=C/C(=C\Nn2c(SC)nnc2-c2ccccc2)C1=O
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID788974,Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C
+,,0.0,,,,,,0.0,,,0.0,,,,0.0,,CID804602,COc1cc(NC(=O)C2CC2)c(C(=O)O)cc1OC
+0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID731367,O=C(CSc1nc2ccccc2o1)NCc1ccco1
+,,,,0.0,,,,,,,,,,,,,CID2566365,CCCCn1c(N)c(N(CCOC)C(=O)CSc2nc3ccc(C)cc3[nH]2)c(=O)[nH]c1=O
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID648206,COCCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID666902,Clc1ccc(OCc2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID3242662,O=C(NCc1ccco1)c1ccc(CS(=O)(=O)Cc2ccc(F)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID5350494,O=C(NC(Cc1c[nH]c2ccccc12)C(=O)O)/C(=C/c1ccco1)NC(=O)c1ccccc1
+0.0,,,,,0.0,,,,,,,,,,,,CID3245135,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1
+0.0,,,,,,,0.0,,,,,,,,,,CID2109186,CN(c1ccc(OCc2nnc(-c3ccccc3)o2)cc1)S(=O)(=O)c1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,,CID645858,Cc1cc(C)c2cc(CN(CCO)Cc3nnnn3Cc3ccc(F)cc3)c(=O)[nH]c2c1
+,0.0,,,,,,,,,,,0.0,,,,,CID5309360,CC(C)c1cc(C(=O)NCc2ccco2)no1
+,,,,,,,,,,,,,,0.0,,,CID618573,C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccco1
+,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,,CID658255,COc1ccc2c(C)nc(Nc3nc(C)cc(C)n3)nc2c1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID3240035,COc1ccc(-n2nnc3c(=O)n(Cc4cc(C)ccc4C)cnc32)cc1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID1317528,O=C(Nc1ccc(N2CCN(c3ccc(O)cc3)CC2)cc1)Oc1ccccc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3239762,CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2950007,COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID934461,O=C1CCCN1c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID709870,COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2NC(C)=O)cc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID603423,CC1(C)C2CCC1(C)C(OC(=O)CSc1nc(=O)cc(N)[nH]1)C2
+0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,,CID659178,CCn1c(=N)n(CC(=O)c2cccc(OC)c2)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID2890263,COc1ccc(NC(=O)C(C)Sc2ccccc2)cc1
+,,,0.0,,,,,,,,,,0.0,,,,CID2216794,CCOC(=O)NC(=O)CSc1ccccn1
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID918470,Cc1ccc(-n2ncc(C#N)c2/N=C/N2CCOCC2)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID5142912,CCOCC(=O)NCc1ccc2c(c1)cc(C)n2C
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3000156,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)NC3CCCc4ccccc43)CC2)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID1263320,CC(=O)c1c(N2CCOCC2)nc(=S)n(-c2cc(C)ccc2C)c1C
+,,,,,,,,,,0.0,,,,,,,CID1110069,Cc1c(NC2=NC(C)(C)Cc3ccccc32)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID4879579,CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)Nc1ccccc1-c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID3237651,CCN(CC)C(=O)c1cc(-c2ccccc2OC)on1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID2853053,O=C(CC12CC3CC(C1)CC(CC(=O)N1CCCC1)(C3)C2)N1CCCC1
+0.0,,,,,,,,,,,0.0,,,,,,CID645624,COc1ccc2cc(CN(Cc3ccco3)C(c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1
+,,,,,,,,0.0,,,,,,,,,CID4103501,Cc1c(C2Nc3ccccc3C(=O)N2O)cnn1C
+,,,,0.0,,,,,,,,,,,,,CID656127,COc1ccc(S(=O)(=O)Nc2nc(C(F)(F)F)cs2)cc1
+,,0.0,,,,,,,,,,,0.0,,,0.0,CID776925,CCOC(=O)c1[nH]c(C)c(C(=O)c2cc(F)ccc2F)c1C
+,,,,,,,,,0.0,,,,,,,,CID1152648,Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,,,,,,,,,,,,0.0,,,CID3801066,O=C(O)c1cnn(-c2ccccc2)c1-c1ccccc1
+0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,CID663773,CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccs1
+,,,,0.0,,,,,,,,,,,,,CID3243285,Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2201266,COc1cccc(-c2nnc(NC(=O)c3cccs3)s2)c1
+,,,,,,,,,,0.0,,,,,,,CID2901963,O=C(c1ccccc1)N1CCN(C(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID791324,CCN1CCN(Cc2cccc(Oc3ccccc3)c2)CC1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1067804,O=C1NC(=S)NC(=O)C1C/C=C/c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2369043,O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1
+,,,,,,,0.0,,,0.0,,,,,,,CID4393413,C=CCn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID700123,CN(C)C(=O)Oc1ccc2ccccc2c1Cl
+,,,,0.0,,,,0.0,,,,,,,,,CID3238967,Cc1cc2ccccc2c(=O)n1CC(=O)NCC(=O)N(C)Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3182522,CCC(C)(C)n1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID736911,COc1cccc(-n2c(N)c(C#N)c3ccc([N+](=O)[O-])cc3c2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID5917252,CC1=CC(=O)/C(=C2\CC(c3ccc(Cl)cc3)Sc3ccccc3N2)C(=O)O1
+,,,,,,,,,,,,,0.0,,,,CID863074,Cc1ccc(NC(=O)CCn2nnc3ccccc32)c(C)c1
+0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID3239711,O=C(NCc1ccccn1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID4068029,NC1=C(c2nc(-c3ccc(F)cc3)cs2)C(=O)CN1Cc1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,,,,,CID883191,CCCC(=O)c1cc(F)c(N2CCN(C(=O)OCC)CC2)cc1C
+,,,,,,0.0,,,,,,,,,0.0,,CID653838,O=C(Nc1ccc(F)cc1)NC1(C(=O)NCc2ccco2)CCCCC1
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID3244095,COc1ccc(CCNC(=O)C2CCN(Cc3nc(-c4cccc(Cl)c4)oc3C)CC2)cc1OC
+,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,,CID1096298,CCc1cc(C(=O)N2CCOCC2)c(NC2=NS(=O)(=O)c3ccccc32)s1
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID646295,Cc1ccccc1-c1nnc(-c2ccc(Br)cc2)o1
+,,,0.0,,0.0,,,,0.0,,,,,,,,CID649843,CN1CCN(CC#CC2(O)CCCCC2)CC1
+,0.0,,,,,,,,,,,,,,,,CID1267978,NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccco2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1002526,O=C(O)c1cc(-c2ccc3c(c2)OCO3)nc2ccc(Br)cc12
+,,,,,0.0,,,,,,,,,0.0,,,CID2866505,COc1ccc(CN(C(=S)Nc2ccccc2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID5309613,CCCCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,,,,,,,,,0.0,,,,CID2299024,COc1cc(SC)ccc1C(=O)NCCOc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2887261,Cc1ccc(CN2C(=O)CSC2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID970025,COc1ccc(-c2c(C)nn(Cc3ccccc3)c2N)cc1
+,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,CID665434,Cc1cc(C)n(-c2nc(NCCO)c3c4c(sc3n2)CCCC4)n1
+,,,,,,,,,,0.0,,,,,,,CID2213723,Cc1ccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID651376,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C#Cc1ccccc1
+,,,,,,0.0,,,,,,,,,0.0,,CID5389920,Cc1nc2nc(SCC(=O)C(C)(C)C)[nH]c2cc1Br
+,,,,0.0,,,,,,,,,,0.0,,0.0,CID3239794,COc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC(C)C)ccc2N2CCOCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3245955,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)ccc21
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID646051,Cc1cccc(-c2nnc(SCC#N)n2-c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID4088512,CCOC(=O)Cc1csc(NC(=O)NC2(C(F)(F)F)Oc3ccc(Cl)cc3O2)n1
+,,,0.0,,0.0,,,0.0,,,,0.0,,,,,CID551311,O=C1CC(c2ccccc2)CC(=O)C1=CNCC1CCCO1
+,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID893782,Cc1cc(C)nc(N(C#N)Cc2ccc(Br)cc2)n1
+0.0,,,,,,,,,,,1.0,,,,0.0,,CID2082046,CC(C)(C)c1cc(NC(=O)COC(=O)c2ccc3c(=O)n4c(nc3c2)CCC4)n(-c2ccccc2)n1
+,,,,0.0,,,,,,,,,,,,0.0,CID3243040,COc1ccc(CC(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)(=O)C3)cc1
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID652273,COCc1[nH]nc2c1C(c1ccc(OC)c(OC)c1)C(C#N)=C(N)O2
+,,,,,,,,,,0.0,,,,,,,CID3240462,CCOc1cc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc(OCC)c1OCC
+0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,0.0,,CID663179,CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1N
+,,,,,,,,,,0.0,,,,,,,CID7760876,CNc1ccc(/C=C2\COc3ccccc3C2=O)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID761850,Cc1ccc(C(=O)COC(=O)c2ccncc2)cc1[N+](=O)[O-]
+,,,,,,,,,,,1.0,,,,,,CID4111713,Cn1c(SCC(=O)Nc2ccc3nc(SCC(=O)N4CCCC4)sc3c2)nnc1-c1ccc(N)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3235800,CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
+,0.0,,,,,,0.0,,,,,,,,,,CID6324572,Cc1ccc2[nH]c(=O)c3cc(C(=O)NCCN4CCN(C)CC4)sc3c2c1
+,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,,CID2832757,CC1=CCC(Cc2nc3ccccc3o2)C1(C)C
+,0.0,,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,CID2213117,CCCCOc1ccc(Cl)cc1CSc1nnc(CC)n1N
+,,,,,,,,,,,,,0.0,,,,CID2088732,CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12
+,,,,,,,,,0.0,,,,,,,,CID3220393,CCC(OC(=O)c1nsc(Cl)c1Cl)C(=O)NCc1cccs1
+,,0.0,,,,,,,,,,,,,0.0,,CID972150,COC(=O)c1ccccc1NC(=O)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID2931438,COc1ccc(C2=CC(=O)OC(C)(c3ccccc3)O2)cc1
+0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,CID653984,CCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccco1
+,,,,0.0,,,,,,,,,,,0.0,,CID2834195,COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)nn1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1098651,C=CCn1c(O)c(C(=O)Nc2ccccc2OC)c(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2059829,Cc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)no1
+,,,,,,,,,0.0,,,,,,,,CID78402,O=C(CN1CCCCC1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID865551,CCSc1nc2ccc(C)cc2cc1C#N
+,,,,,,,0.0,,,,,,,,,0.0,CID2905372,COc1ccc(N2C(=O)CC(Sc3nnc(-c4ccccc4)o3)C2=O)cc1
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,,CID663819,Cc1ccc2cc(CN(C(=O)c3cccnc3)C(C)C)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID4373559,NC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID3243941,Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CSC2
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2945486,COc1ccc(NC(=O)C2Cc3ccccc3C(=O)O2)cc1
+,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,,CID802859,CN(C)S(=O)(=O)c1ccc(-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2842163,O=[N+]([O-])c1ccccc1/C=N/Nc1nccnc1Cl
+,,,,,,,,0.0,,,,,,,,0.0,CID3243644,COC(=O)c1c(-c2ccc(F)cc2)noc1N
+0.0,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID3243898,Cc1c(C(=O)N2CC(C)OC(C)C2)sc2nc(-c3ccc(F)cc3)cn12
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID655319,CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccco3)cc2)CC1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID974269,COc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID1094033,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN(C)CC4)c3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1331044,Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1C1CC1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID1245861,O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID9587234,COc1ccc(/C(N)=N/OC(=O)Cc2ccccc2OC)cc1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID665954,COCCOC(=O)c1c(C)oc2ccc(OC(=O)c3ccc4c(c3)OCO4)cc12
+,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,,CID750459,Cc1cc(C)nc(NC(=O)CN2C(=O)c3ccccc3C2=O)n1
+,,,,,,,,,,,,,0.0,,,,CID2343044,COc1cccc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
+,0.0,0.0,,,,,,0.0,,0.0,,,,,,,CID1021175,CCOc1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O
+,,,,,0.0,,,,,,,,0.0,,,,CID2871775,CCOc1ccc2nc(SC3CC(=O)N(c4ccc(C)cc4)C3=O)sc2c1
+,0.0,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,,CID2233493,C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1cc2cc(Cl)ccc2o1
+,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID2971322,Cc1cc(C(=O)NC(C)C2CCCO2)cs1
+0.0,,,,,,,,,,,,,,,,0.0,CID3239948,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1ccco1
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID663338,Cc1ccc(NC(=O)CSc2nnc(CCCCCNC(=O)OC(C)(C)C)o2)c(C)c1
+0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,CID665816,CCc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
+,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,0.0,CID3238753,CC1CCCCC1NC(=O)CN1CCN(Cc2ccccc2Cl)C1=O
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID2084268,Cc1ccc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c2c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2482458,O=C1COc2ccc(C(=O)CSc3nnc(Cc4cccs4)n3-c3ccc(Cl)cc3)cc2N1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID666342,CCC(C)/N=C1\SCC(C)(/C=N/O)S1
+,,,,,,,,0.0,,,,,,,,,CID858770,CC(=O)c1cc2c(cc1NC(=O)C1CC1)OCO2
+,,,,,,,,,0.0,,,,,,,0.0,CID2970016,COc1ccccc1C(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID1518983,COC(=O)c1cc(=O)n(Cc2cccs2)/c(=N/Cc2cccs2)s1
+,,,,,,0.0,,,,,,,,,,,CID650552,CC(C)CCNC(=O)C(C)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)C1CCCC1
+,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,,CID653643,Cc1ccc(C(=O)Nc2nnn(C)n2)cc1
+,,,,,,,0.0,0.0,0.0,,,,,,,,CID2997596,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cccc(S(=O)(=O)NC)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID835318,O=S(=O)(Nc1cccnc1)c1ccc(Cl)cc1
+,,0.0,,,,,,,,,,,,,,,CID5307693,CCC(C)C(C(=O)Nc1ccc(OC)c(OC)c1)N1Cc2ccccc2C1=O
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,,CID1893587,COc1ccc(C(=O)/C=C/Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID16196980,CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccc(Br)cc2)C1CCCO
+,,,,,,,,,,,,,,0.0,,,CID15945385,CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3245402,CCOC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
+,,,,,,,,,,0.0,,,0.0,0.0,0.0,,CID2055532,CCc1cc2c3c(c(=O)oc2cc1OC)CCCC3
+,,,,,,,,,,,0.0,,,0.0,,,CID716180,Cc1occc1C(=O)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID651475,O=C(O)CCOc1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID1340132,O=S(=O)(N/N=C/c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1240362,O=C(N/N=C/c1ccc(N2CCOCC2)o1)c1cccc(F)c1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID649301,O=C(NCc1cccc(C(F)(F)F)c1)C1CCCN(c2ncccn2)C1
+,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,CID659439,CC1(C)Cc2c(C#N)c(NCC3CCCO3)nc(-c3ccco3)c2CO1
+,,,,,,,,,,,,,0.0,,,,CID700995,COc1ccccc1C(=O)NNC(=S)Nc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID465091,Cc1cc(C)c(-n2nnnc2SC(C)C)c(C)c1
+,,0.0,,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID2886949,CCC(C)c1ccc(NC(=O)C2CC2)cc1
+0.0,0.0,,,,,0.0,0.0,,,,,,,,,,CID3237094,CCOc1cccc(NC(=O)C2CC(=O)N(C)/C(=N/c3cccc(F)c3)S2)c1
+,,,,,,,,,,,,,,0.0,,,CID6298588,O=C(O)C(=O)/C(=C\c1cccc(Cl)c1)c1ccc2ccccc2n1
+,,,,,,,,,,,0.0,,,,,,CID2765899,N#CCSc1sc(C#N)c(NC(=O)c2ccc(F)cc2)c1-c1ccccc1
+,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,CID2807595,Cc1nc2sc3c(c2c(=O)[nH]1)CCC3
+,,,,,,,,,,,,,,0.0,,,CID2105065,COc1cc(C(=O)OCC(=O)N(C)C)cc(NC(=O)c2ccco2)c1OC
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID1517499,O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1ncn[nH]1
+,,0.0,,,,,,,,,,,,0.0,,,CID621836,Nc1ncn(CC(O)CN2CCOCC2)c2nc(N3CCOCC3)nc1-2
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID659235,Cn1c(=O)c2c(nc(Br)n2Cc2c(F)cccc2Cl)n(C)c1=O
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID791084,On1c(-c2ccco2)nc2c1CCc1nonc1-2
+,,0.0,,,,,,,,,,,,,,,CID5389410,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccccn1
+,,0.0,,,,,0.0,0.0,,,,0.0,,,,,CID2148447,COc1cccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)c1OC
+,,,,,,0.0,,,,,,,,,,,CID4061005,CCOCCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
+,,,,,,,,,,,0.0,,,,,,CID1523680,CCn1c2ccc(Cl)cc2c2nc3ccccc3nc21
+,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,0.0,CID2965114,Cc1cc(C)n(C(=O)CCC2COc3ccccc3O2)n1
+,,,,,,,,,,,,,,0.0,,,CID1326313,O=S(=O)(c1ccc(Cl)c(Cl)c1)N1CCc2nc3ccccc3n2CC1
+,,,,0.0,,,,,,,,,,,,0.0,CID3237065,CC1(C)CC(=O)C2=C(C1)OC(=O)C2(NC(=O)c1cccs1)C(F)(F)F
+,,,,,,,,,,,,,,0.0,0.0,,CID3245456,COC(=O)c1cc2occc2n1CC(=O)Nc1ccc(OC)c(OC)c1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1345525,Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308229,O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID644798,COCCN(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2051860,O=C(CSc1nc2n(-c3ccc(F)cc3)[nH]cc-2c(=O)n1)N1CCOCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1360988,COc1ccc(CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1Br
+,,,,,,0.0,,,,,,,,,,,CID2887317,O=C(O)Cc1ccc(NC(=O)C2CCCCC2C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2874977,O=C(Cc1ccc([N+](=O)[O-])cc1)NCC1CCCO1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID3245224,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID3240374,Cc1ccc(CS(=O)(=O)CCC(=O)NCCCOC(C)C)cc1
+,,,,,,,,,0.0,,,,,,,,CID2967277,CCc1ccc(CN2CC(C(=O)O)CC2=O)cc1
+0.0,,,,,,,0.0,,,0.0,,,0.0,,,,CID2088850,O=C(COc1nc2ccccc2nc1N1CCOCC1)N1CCc2ccccc21
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID664965,COc1ccc(C2CC(=O)c3cnc(N)nc3C2)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID1082900,NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1771090,CCn1c(C)cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c1C
+0.0,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,,CID913814,COc1ccccc1-c1nc(-c2ccc(C)nc2OC)no1
+,,,,,0.0,,,,,,,,,,,,CID666160,c1ccc(CCN2CN(CCCN3CCOCC3)c3nc4ccccc4n3C2)cc1
+0.0,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID667324,COc1cccc(-c2c(NC(=O)c3ccco3)n(-c3ccc(C)cc3)nc(C)c2=O)c1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID641401,Brc1ccc(Oc2nsnc2N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID975496,COc1ccc(Cl)cc1C(=O)N1CCN(c2ccccn2)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID5310431,Cc1csc2nc(CNC(=O)C3CCCCC3)cn12
+,,,,,,,,,,,0.0,,,,,,CID1226797,CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID2971844,O=C1CC(c2ccc(S(=O)(=O)NCCOc3ccccc3)cc2)CN1
+0.0,,,,0.0,,,,,,,,,,,,,CID3245716,O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F
+,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,,CID972218,COc1ccc(-c2cn[nH]c2N)c(OC)c1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2998211,COc1ccc(C(CNC(=O)COc2ccccc2C#N)N2CCOCC2)cc1
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,CID2123450,COC(=O)c1nc(NC2=NCCCCC2)n[nH]1
+,,,,,,0.0,,,0.0,,0.0,0.0,,,0.0,,CID2432869,CN(C)c1cccc(C(=O)OCC(=O)NCc2ccco2)c1
+,,,,,,0.0,,,,,,,,,,,CID4289750,CC1CSc2nnc(CCc3ccccc3)n21
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID899430,Cc1sc(NC(=S)NC(=O)c2ccccc2)c(C#N)c1C
+,,,0.0,,,,,,,,,,,0.0,,,CID653422,O=C(COCc1nc(=O)c2ccccc2[nH]1)NC1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2192572,C=CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)SC1=S
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID3127172,CCOC(=O)CSc1nc2sc3c(c2c(=O)[nH]1)CC(C)(CC)OC3
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID1150894,Cc1cc2ncn(C(=O)c3c(-c4ccccc4Cl)noc3C)c2cc1C
+,,,,,,,,,,,,,,0.0,,,CID1186687,Cc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1C
+,,0.0,,,,,0.0,,,,,,,,,,CID706244,O=C1CCCC(O)=C1C(C#Cc1ccccc1)C1=C(O)CCCC1=O
+,,,,,,,,,,,,,,0.0,,,CID4593060,COc1cc(C2C(S(=O)(=O)c3ccccc3)CON2C)ccc1OCc1ccc(F)cc1
+,,,,,,,,0.0,,,,,,,,,CID1245565,CCc1sc(C(=O)NC)cc1Br
+,,,,0.0,0.0,,,,,,,,,,,,CID645876,CCC(OC(=O)c1cccs1)C(=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1485477,Cc1cc(C)c2c(NC(=O)CCl)nn(C)c2n1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID660438,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)COCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4315114,O=C1c2cc(S(=O)(=O)n3cnc4ccccc43)ccc2-c2ccc(S(=O)(=O)n3cnc4ccccc43)cc21
+,,,,,,,,,,,,,0.0,,,,CID3933450,CC(C)CNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O
+,,,,,,,,,,0.0,,,,0.0,,,CID1420272,Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2-n2cc[n+](CCC(C)C)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2411949,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=S)NC(=O)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID2804,CC1CCCC(C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
+,,,,,,,,,,,,,,0.0,,,CID2346923,CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2Cc2ccccc2)c1
+,,0.0,0.0,,,,0.0,0.0,,,,,,,,,CID1137895,CCOc1ccccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
+,,,,,,,,,,,,,,,0.0,0.0,CID689338,O=C(c1cc2ncc(Br)cn2n1)N1CCOCC1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID3244142,O=C(NC1CCCCC1)c1ccc(Cn2cc(Br)cn2)o1
+,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,CID735048,COc1cccc(-c2csc(NC(C)=O)n2)c1
+,,,,,0.0,,,,,,,,,,,,CID4676972,CCOc1ccc(N2CC(C(=O)Nc3ccccc3N3CCOCC3)CC2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID766778,Oc1ccc2ccccc2c1CN1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID5308810,CC1=C(C(=O)NC2CCCCC2C)C2(CCC(C)CC2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID1310886,COc1ccc(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID885016,CCOC(=O)Cc1csc(NC(=O)Cc2ccccc2[N+](=O)[O-])n1
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID915628,O=c1c2[nH]c3ccccc3c2ncn1Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID3174428,Cc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccc3c(c2)OCO3)C(=O)c2ccc(CN3CCOCC3)o2)o1
+,,,,,,,,,,,,,,0.0,,,CID1474273,Cc1cccc(-c2nnnn2-c2cccc(C)c2)c1
+,,,,0.0,,,,,,,,,,,,,CID4175768,CCOc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1
+,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID2542208,O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCCCC1
+,,,,,,,,,,,0.0,,,,,,CID2763440,Cc1cc(=O)n2cc(-c3ccccc3)nc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID856144,O=C(CSc1nnc(-c2cccnc2)o1)Nc1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID2964993,COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1
+0.0,,,,0.0,,,,,0.0,,,0.0,,,,,CID3238536,Cc1nc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cs1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID2646131,COc1cc(C(=O)OCC(=O)N(C)Cc2ccccc2)cc(OC)c1OC
+0.0,,,,,,,,,,,,,,,,,CID3244154,CC(NC(=O)c1ccco1)C(c1cccs1)N1CCN(c2ccccc2F)CC1
+,,,,,,,,,,,,,0.0,,,,CID2208596,N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)C(=O)Nc1ccccc1
+,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,CID972338,Cc1c(C(=O)NCc2cccnc2)oc2c1C(=O)CC(C)(C)C2
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID3326466,CCOCCn1c(COc2ccccc2)nc2ccccc21
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID757392,Cc1cc(C(C)(C)C)cc(S(=O)(=O)NCC(=O)O)c1C
+,,,,,,,,0.0,,0.0,,,,,,,CID701332,CCOC(=O)N1CCN(C(=O)NC2CCCCC2)CC1
+0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,0.0,CID665367,C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1OC
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID969575,O=C(CN1CCCCC1)Nc1cccc(Br)c1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1106410,N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1Cc1ccco1
+,0.0,,,,,,,,,,,,,,0.0,,CID3241463,Cc1[nH]nc2c1C(c1cn[nH]c1-c1ccc(F)cc1)C(C#N)=C(N)O2
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID657796,Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12
+,,,,,,,,0.0,,,0.0,,,,,,CID737721,COC(=O)C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID661516,O=C1CC(N2CCOCC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
+,,0.0,,,,,,,,,,,,,,,CID661930,CCCCNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
+,,,,,,,,,,,,0.0,0.0,,,,CID2303250,Cc1cc(C)n2nc(Nc3ccccc3)cc2n1
+,,,,,,,,0.0,,,0.0,,,,,,CID319814,Cn1c(NCc2ccccc2)cc(=O)n(C)c1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID2217893,COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1
+,0.0,,,,,,,,,,,0.0,,,,,CID3245713,CCOC(=O)c1ccc(-n2c(=S)sc3c(=O)nc(C)[nH]c32)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID2112324,CCOc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID660881,CCCSc1nc(=O)c(CC(=O)OCC)c(C)[nH]1
+,,,,,,,0.0,,,,,,,,,0.0,CID647181,CCCCn1c(SCC(=O)OC)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID1250874,O=C(c1cccc(-n2cnnn2)c1)N1CCOCC1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,,CID683045,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID665343,Cc1nnc(SCCCn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1
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+,,0.0,0.0,,,,,,,,,0.0,,,,,CID3237055,CC(NC(=O)CC1Nc2ccccc2NC1=O)c1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID170616,O=C(O)c1ncn(Cc2ccccc2)c1C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID1122084,COc1cc2c(cc1NC(=O)c1ccc(C(C)(C)C)cc1)CCCC2
+,,,,,,,,,,,0.0,,,,,,CID9551534,Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCc5ccccc5C4)CC3)ccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID723583,CC1(C)Oc2ccc(NC(=O)c3ccco3)cc2O1
+,,,,,0.0,,,,,,,,,,,,CID1034835,O=C(Nc1ccccc1C(=O)N/N=C/c1ccco1)c1ccccc1Cl
+,,,,,,,,,,,0.0,,,0.0,,,CID1488776,N#Cc1c(-c2ccccc2)ccnc1Oc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3224155,Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2554,NC(=O)N1c2ccccc2C=Cc2ccccc21
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+,,,0.0,,,,,,0.0,0.0,,0.0,0.0,,0.0,,CID2815883,COc1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1
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+,,0.0,,0.0,,,,,,,0.0,,,,,,CID3238195,Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)O)cc1
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+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID3324798,CCCn1c(NCc2ccc(N(C)C)cc2)nc2ccccc21
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID2999224,O=C(CCc1c[nH]c2ccccc12)NCC1CCCO1
+0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,CID664453,CN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1
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+,,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,CID664295,Cn1cnnc1SCCn1c(N2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C
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+,,0.0,0.0,,0.0,,,,,,,,,,,,CID667340,CC1(C)Cc2ccccc2-c2[nH]c(CN3CCOCC3)nc(=O)c21
+,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,CID667048,O=C(CSc1ccccc1C(=O)O)Nc1cccc(C(=O)O)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID790157,O=c1nc(N(c2ccccc2)c2ccccc2)[nH]c(=O)[nH]1
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+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3241798,Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)ccc1Br
+,,,,,0.0,,,,,,,,,,,,CID5722655,CCCOc1cc(N(CC)CC)ccc1/C=C(/C#N)c1nc2ccc(C)cc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID871824,COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2201052,COc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2462624,Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)n1-c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID2012106,COc1ccc(C(=O)NC(=S)Nc2ccc3oc(=O)ccc3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1214197,CNC(=S)N/N=C/c1c(C)nn(-c2ccccc2)c1Cl
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID97605,c1ccc2c(NC3=NCCS3)cccc2c1
+,0.0,,,,0.0,,,0.0,,,0.0,,,,,,CID2562494,CCOC(=O)c1sc(N)c(C#N)c1CSc1nnc(C2CCCCC2)n1N
+,0.0,,,0.0,,,,,,,0.0,,,,,0.0,CID3244279,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1
+0.0,,,,,0.0,,,0.0,,,,,,,,,CID3242371,COc1ccc(-c2cc(CCCC(=O)NCCc3ccc(OC)cc3OC)no2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2376386,O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCc1ccco1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID3707929,COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID2962051,CC(=O)c1c(C)nn(CC(O)COc2ccc3c(c2)CCC3)c1C
+,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,CID645626,CC(=O)Nc1cccc(NC(=O)CCn2cnc3cc(C)c(C)cc32)c1
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID2369069,CCN1C(=S)SC(=O)C1=C1C=C(C)N(Cc2ccco2)C(C)=C1
+,,,,,,,,,,,,,,,,0.0,CID694973,Cc1sc2c(c1C)c(=O)n(-c1ccccc1)c1nncn21
+,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,CID848268,OCCN1CCN(C(=S)c2ccc(Cl)cc2)CC1
+,,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,,CID651129,CC(C)(C)NC(=O)Cn1c(SCC(=O)NCc2cccs2)nc2ccccc21
+,,,,,,,,,,,,,,,0.0,,CID759758,Clc1ccc(OCCn2ccnc2)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2878759,Cc1ccc2c(Cl)c(C(=O)NCC3CCCO3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID5059458,COC(=O)Nc1sc(C(=O)N(C)C)c(C)c1C(=O)OC
+,,,,,,,,,,,,,0.0,0.0,,,CID892850,CC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1
+,,,0.0,,,,,,,,,,,,,,CID4230969,CCOCCn1c(CN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID16195509,O=C(N/N=C/c1ccncc1)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5347375,CN1C(=O)/C(=N\NS(=O)(=O)c2ccccc2)c2ccccc21
+,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,CID2872626,CCN1C(=O)/C(=C2\SC(=S)N(CC3CCCO3)C2=O)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID2767952,CNC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID5941946,Cc1ccc(/C(O)=C2\C(=O)C(=O)N(CC(C)O)C2c2cccc(F)c2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID2532750,Cc1csc(SCc2nnc(-c3ccccc3Br)o2)n1
+,,,,,,,,,,0.0,,,,,,,CID4593571,Cc1cccc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1C
+,,,,,,,,0.0,,,,,,,,,CID2775392,COC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,,,0.0,CID5390088,CC1CC(=O)C2=C(C1)N=C1N=CNN1C2c1ccccc1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID1266774,CC(=O)Nc1nonc1-c1nc2ccccc2n1Cc1ccccn1
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID2945723,Cc1cc(=O)nc(SCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID1249569,CCCn1nnnc1NCc1ccccc1OCc1ccc(F)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID5307669,Cc1ccc2oc(=O)c3cnn(CC(=O)NCCC(C)C)c3c2c1
+,,,,,0.0,,,,,,,,,,,,CID886920,O=C(CSc1cccs1)Nc1ccc2ccccc2c1
+,,,,,0.0,,,,,,,,,,,,CID2952207,Cc1ccc(C2=NN(C(=S)Nc3ccccc3)C(c3ccco3)C2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2176319,Cc1ccccc1CSCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1
+,,,,0.0,,,,0.0,0.0,,,,,,0.0,,CID1083011,CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,0.0,,,,,,,,CID1825884,CCCCC(=O)c1ccc(O)cc1O
+,,,,,,,,,,,,,0.0,,,,CID1441392,CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1cccc(C)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID2167948,CCCCN(C)CCC(=O)Nc1ccc(OC)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2890157,Cc1ccc(N2CC(C(=O)Nc3ccc(Cl)cc3)CC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2320992,COc1cc(OC)cc(C(=O)/N=c2\sc3ccccc3n2C)c1
+,,,,0.0,,,,0.0,,,,0.0,,0.0,0.0,,CID3241375,O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCCC1=CCCCC1
+,,,,,,,,,0.0,,0.0,,,,,,CID2434567,O=C(Nc1ccc2c(c1)OCO2)c1ccc[n+]([O-])c1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID783724,COc1ccc2ccccc2c1CN1CCN(C)CC1
+,,,,,,,0.0,,,,,,,,,,CID3244942,CCC(=O)N1CC(C)C(=O)Nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID873964,O=C(COc1cccc2ccccc12)NCc1ccco1
+,,,,,0.0,,,,,,0.0,,,,,,CID865996,CCOc1ccc(-c2nnc(-c3cccs3)o2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID2859420,COc1cc(OC)cc(C(=O)NCC2CCCO2)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID2936238,CC(C)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)NC1=NCCS1
+,,,,,,,,,,0.0,,,,,0.0,,CID658947,COC(=O)CSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCCC4
+,,,,,,,,,,0.0,,,,,,,CID2927808,Cc1cccc(C)c1OCC(=O)N1CC2(C)CC1CC(C)(C)C2
+0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,CID667188,Clc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)c1
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID2831764,CCCCCC(=O)Nc1cc(N(C)C)nc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID16189324,CCN1CCN(CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1304874,COc1cc2c(cc1OC)C(c1ccc(-c3cc(Cl)ccc3Cl)o1)=NCC2
+1.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID652991,CCCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
+,,0.0,,,0.0,,,,,,,0.0,,0.0,,,CID662238,Cn1c(=O)c2c(nc(N3CCCCCC3)n2Cc2cccc3ccccc23)n(C)c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID2894279,COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(C)cc2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID4301753,COc1cccc(NC(=O)c2nn(C34CC5CC(CC(C5)C3)C4)cc2[N+](=O)[O-])c1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID976951,Cn1cccc1-c1nc2ccccc2n1Cc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2966920,CC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID2087479,COc1ccc(C)cc1-n1nnnc1SCc1cc(=O)n2cc(C)ccc2n1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3216233,CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,0.0,,,,CID16190683,Cn1cc(CN2CCC(C(O)CCc3ccccc3)CC2)c(-c2ccccc2F)n1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID3236054,COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C2CC2)cs1)C(F)(F)F
+,,,,0.0,,,,,,,,,,,,,CID5082656,CCOc1ccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCCN2CCOCC2)cc1
+,,,0.0,0.0,,,,,0.0,,,,,,0.0,,CID2481394,COc1cccc(CN(C)C(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1OC
+,,,0.0,,0.0,,0.0,,,,,,,0.0,,,CID645852,Cc1ccc2c(c1)c1c3n2CCN(C(=O)CN2CCN(C)CC2)C3CCC1
+,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,,CID654244,CC1CCN(C(=O)CSc2nc3cccnc3n2C)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1105282,COc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2565552,COc1ccc(C)cc1-n1nnnc1SCc1nc(=O)c2ccccc2[nH]1
+,,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID659117,CCCOc1ccc(Cc2nc(N)nc(N)n2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2932024,COc1ccc(C)cc1NC(=O)C1C2C=CC(C2)C1C(=O)O
+,,,,,,,,,,0.0,,,,0.0,,,CID1626862,Nc1nnnn1/N=C/C=C/c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1509886,Cn1c(CN2CCCCC2)nc2cc(NC(=O)c3ccccc3Cl)ccc21
+,,,,,,,,,,,,,0.0,,,,CID1490119,Cc1occc(=O)c1OCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2082918,O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID3239360,CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N(CC)CC)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2221997,COc1cccc(-n2nnnc2S(C)(=O)=O)c1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID5308451,CCOC(=O)c1c(C)c(-c2ccccc2)n(CC(=O)N2CCCC2)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2050560,O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2180928,CCOC(=O)C(=O)Nc1nnc(C2CCCCC2)s1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID909840,O=C1NC(=O)C(C/C=C/c2ccccc2)C(=O)N1
+,,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,CID2999238,Cc1ccc(-n2c(C)cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)c2C)cc1
+,,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,CID3240803,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1401114,COc1ccc(Cc2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1
+,,,,0.0,,,,,,,,,,,,,CID829880,FC(F)Sc1nnc(-c2cccs2)n1-c1ccccc1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID1778641,O=C(NCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,0.0,,,,0.0,,,,,,0.0,0.0,,,0.0,CID1072112,COc1ccccc1C(=O)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID645693,Cc1ccc(N2CC(C(=O)Nc3nnc(C(C)C)s3)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID6624370,CCC1=Nc2cc(C(=O)O)ccc2Sc2ccc(Cl)cc21
+,,,,,,,,,,,0.0,,,,,,CID790423,COc1ccc(CCNC(=O)c2cccnc2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5742580,O/N=C1\CCC\C1=C/c1ccco1
+,,,,,,,,,,,,0.0,,,,,CID2562136,c1ccc(-c2nc(-c3ccco3)cs2)nc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1107661,CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID732183,O=C(Nc1ccc2c(c1)OCO2)c1ccc2nc[nH]c2c1
+,,,,,,0.0,,0.0,,,0.0,,,,,,CID659323,COc1cc(C(=O)Nc2ccccn2)cc(OC)c1OC
+0.0,,,,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,,CID650134,CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1OCC
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+,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID2997517,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1
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+,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID866267,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N(C)Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID5742459,NC1=NC2(CCC(c3ccccc3)CC2)N2C(=N1)Nc1ccccc12
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+,,,,,,,,,,,,,0.0,,,,CID1336265,COC(=O)c1sc(NC(=S)NC(=O)c2ccccc2F)nc1C
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+,,,,,,,,,,,,,,0.0,,0.0,CID650842,O=C1CCCCC1Sc1nc2ccccc2o1
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+,,0.0,,,,0.0,,,,,,,,,,0.0,CID795181,CNC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccccc1
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+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2406887,COC(=O)c1ccc(CNC(=O)CNc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID691567,Cc1cccnc1NC(=O)c1cc2ccccc2oc1=O
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+,0.0,,,0.0,0.0,0.0,,,,,,,,,,,CID740781,Cc1cc(N2CCOCC2)nc(SCC(=O)c2ccccc2)n1
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+,0.0,0.0,,,,,,,,,,,0.0,,,0.0,CID652678,CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(OC)cc2)n1
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+,0.0,,,,0.0,,,0.0,,,,,0.0,,,,CID2077586,CCn1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccs1
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+,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID2058969,Cc1ccccc1OCCCCc1c(C)n[nH]c1C
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+0.0,,0.0,,,,,,,,,,,,,,,CID649437,O=c1c(C(c2nnnn2C2CCCCC2)N2CCCCC2)coc2ccc(Cl)cc12
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+0.0,,,0.0,0.0,,,,,,0.0,,0.0,0.0,,0.0,0.0,CID651052,Cn1c(CNC(=O)Cc2ccc3c(c2)OCO3)nnc1SCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1250934,CCC(=O)Oc1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3241733,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCOCC3)c21
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+,,,,,,,,,,,,,0.0,0.0,,,CID974145,COc1cccc(-c2nc(=S)c3c(o2)CCCC3)c1
+,,,,,,,,,,,,,,0.0,,,CID948813,Cc1ccc2occ(/C=N/O)c(=O)c2c1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID2057778,CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID3242015,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1Cc1ccc(F)cc1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID2094306,O=C1CN(C(=O)COC(=O)COc2ccc3c(c2)CCC3)c2ccccc2N1
+,,,,,,,0.0,,,,,,,,,,CID5353432,CC(C)(C)c1ccc(S(=O)(=O)/C=C/C#N)cc1
+,,,,,,,,,,,,,0.0,,,,CID694571,Cc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID2865533,CCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1
+0.0,,,,,0.0,,0.0,,,,0.0,,,,,,CID5307145,COc1ccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID3108928,CC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(N)cc1
+,,,,,0.0,,,,,,,,,,,,CID3863983,CC(C)Cc1ccc(C(C)C(=O)Nc2cccc(O)c2)cc1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID660673,Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2
+,,,,,,,,,,0.0,,,0.0,,,,CID1398293,O=C(CSc1nnnn1-c1ccc(O)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID666071,COc1cc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)ccc1OC(C)C
+,,,,,,,,0.0,,,,,,,0.0,,CID2999301,CCCn1c(N)c(C(c2ccc(C(=O)OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O
+0.0,,,,,,,,0.0,0.0,,0.0,,,,,,CID2947565,O=C(NCc1ccco1)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
+,,,,,,,,,,,,,0.0,,,,CID884505,CCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1
+,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,CID758249,CCOC(=O)c1cc(C)n(CCc2ccccc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID983571,COC(=O)c1c(C)oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12
+0.0,,,,0.0,0.0,,,,,,,0.0,,,,,CID647703,Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1
+,,,,,,,0.0,0.0,,,,,,,,,CID649141,O=C(O)C1CCCN1S(=O)(=O)c1ccc2ccccc2c1
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID360693,CCOC(=O)C1=C(Nc2ccccc2)SCC1=O
+,0.0,,,,,,,,,,,,,,,,CID650951,CCOC(=O)c1cccc(NC(=O)CSc2nc(N)cc(N)n2)c1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID867258,COc1cccc(OCCn2ccnc2)c1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID656212,CN(C)c1nc(Oc2ccc(N)cc2)nc(N(C)C)n1
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID2976235,O=C1CC(NC23CC4CC(CC(C4)C2)C3)C(=O)N1c1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,,,,,,,,,,CID2187750,O=C(CSCCO)Nc1ccc(C2CCCCC2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID2243399,C=CCNc1nc(N2CCCC2)nc2ccccc12
+,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,CID3242671,O=C(NC1CCCC1)c1csc2c1CCCC2
+,,,,,0.0,,,,,,0.0,,,,,,CID1737471,CCOc1cc(/C=N/NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1OC(=O)c1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1349701,O=C1NC(=S)NC(=O)C1=Cc1ccc(OCc2cccc(C(=O)O)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2865632,Cc1cccc(CC2CC(=O)N(c3ccccc3)C2=O)c1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID1306035,COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N
+0.0,,0.0,,,,,,,,,,,,,,,CID3240053,CCN(CC)CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2Cc2ccc(F)cc2)CC1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID3239324,Cc1ccc(S(=O)(=O)NCCC(=O)NC2CCCC2)cc1
+,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,CID648072,CCc1nnc(NC(=O)C2CCN(c3cnccn3)CC2)s1
+0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,CID648821,Cc1ccc(-c2nnc(CSc3nnc(C)s3)o2)cc1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID581253,Cn1nnnc1SCc1c(F)cccc1F
+,,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,CID2905494,CCOC(=O)C1CCCN(C(=O)c2ccco2)C1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID5308869,CC(=O)N1CCC(N(CCCOC(C)C)C(=O)Nc2ccc(Cl)cc2)CC1
+0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,CID3243330,Cc1ccc(-c2nnc3ccc(SCC(=O)Nc4cc(C)on4)nn23)cc1
+,,,,,,,,,,,,0.0,,,,,CID4671810,CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CCC2
+0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0,CID1534922,COc1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2056711,Cc1cc(SCCOc2ccc(Br)cc2)nc(N)n1
+,,0.0,,,,,,,,,0.0,,,,,,CID645516,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID2973554,CCOC(=O)C1CCCN(C(=O)Nc2ccccc2)C1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID6411216,CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4830955,COc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O
+0.0,,,,,,,,,,,,,,,,,CID4063197,CC(C)CCN(C)C1CCN(C(=O)Nc2c(F)cccc2F)CC1
+,,,,,0.0,,,,,,,,,,,,CID2261723,COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID484483,C(=N/n1cnnc1)\c1ccc(-c2ccccc2)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID645667,Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2955049,Cc1cc(C)nc(N2C(=O)CC(C(C)c3ccccc3)C2=O)n1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID3241694,CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID729877,COc1cc(C(=O)NCCC2=CCCCC2)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID3157203,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID840368,O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccco1
+0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,,,CID665684,COc1ccc(Nc2ncc3c(n2)CC(c2ccc(OC)cc2)CC3=O)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID648965,CCCCOc1ccc(-c2nnn(CC(=O)Nc3ncc(CC(=O)OCC)s3)n2)cc1
+0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,,,CID3149582,CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O
+0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,CID3238710,CN(C(=O)c1ccccn1)C(C(=O)Nc1ccc2c(c1)OCCO2)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1448207,COC(=O)c1ccc(NC(=S)N2CCN(Cc3ccc(Cl)cc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2306393,CCc1c(C)nc(SCC(=O)c2cccs2)c(C#N)c1C
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,CID1033463,CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)c1ccccc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID648494,Cc1ccc(C(C)n2cc(C(=O)NCCN3CCN(C)CC3)nn2)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID655496,Cc1cc(NC(=O)c2sc(Nc3cccc(C(F)(F)F)c3)nc2N)no1
+,,,,0.0,,,,,,,,,,,,,CID3240084,CSCCC(NC(=O)C1CCC(C)CC1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID108104,COc1cc2ccc(=O)oc2c2ccoc12
+,0.0,,0.0,,,,,,0.0,,,,,1.0,,,CID971909,Nc1nc(-c2cccnc2)nn1C(=O)c1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID2768950,Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(OCC(C)(C)C)n1
+,,,,0.0,,,,,,,0.0,,,,,,CID1003584,CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cc(C(F)(F)F)ccc1Cl
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID645880,O=C(CCN1CCN(c2ccccc2)CC1)Nc1nccs1
+,0.0,,,,,0.0,,0.0,,,,,0.0,,0.0,,CID3242601,O=C(Nn1c(=O)[nH]c2ccsc2c1=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2921845,O=C(O)C1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID1487108,COc1ccc(-c2nc(-c3cccc(C)c3)nc(N3CCN(C)CC3)c2C#N)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID2954650,O=C(NCCCN1CCCC1=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2958099,CCOC(=O)C1=C(N)Oc2cc(C)oc(=O)c2C12C(=O)N1c3c(cccc32)C(C)=CC1(C)C
+,,,,,,,,,,,,,0.0,,,,CID680346,O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc([N+](=O)[O-])c1
+,,0.0,,,,,,,,,,,,,,,CID3243630,O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID2345982,CCOC(=O)C1CCN(/C=N/c2cc(C)on2)CC1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID2961787,N#Cc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc2c(c1)oc1ccccc12
+,,,,,,,,,,0.0,,,,,,,CID222006,CCOc1ccc(C(=O)NCC(C)C)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID651332,Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1482534,O=C(c1ccc(Cl)cc1)c1cnc(Nc2ccccc2)s1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,,,CID653346,CC(=O)Nc1ccc(-c2nn[nH]n2)cc1Cl
+,,,,,0.0,,,,,,0.0,,,,,,CID977219,CC(C)(C)NC(=O)c1cccc(NC(=O)CSc2ccccc2)c1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID2962228,Cc1cc(NC(=O)C2CC(c3cccc(Br)c3)=NO2)no1
+,,0.0,,,0.0,,,,,,,,,,,,CID2925123,O=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID659873,Fc1ccc2[nH]c3c(N4CCN(C5CCCCC5)CC4)ncnc3c2c1
+,,,,,1.0,,,,,,,,0.0,,,,CID1375610,CCOC(=O)c1c(NC(C)=O)sc2c1CCC(C=O)=C2Sc1ccccc1
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID1027508,COc1cccc(-c2cc(C(=O)N3CCN(c4ncccn4)CC3)c3ccccc3n2)c1
+,,,0.0,,,,,,,,,,0.0,,,,CID2233014,COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4cccc(C)c4)o3)c2)cc1OC
+,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,0.0,CID2998324,CC(C)C(NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1
+0.0,,,,,,,,,,0.0,,,,,,,CID3236654,Cc1nc2sc(C(c3ccccc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1
+,0.0,,,,,,,,,,,,,,,0.0,CID3237980,COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1
+,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,CID2942933,CC(=O)N1CCN(CC(O)COc2ccc(OCc3ccccc3)cc2)CC1
+0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,CID645278,COc1ccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5339792,O=C(Nc1ccccc1C(=O)O)c1ccc2c(c1)C(=O)N(c1ccc(O)cc1)C2=O
+0.0,,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID658958,O=c1c2c3c(sc2n2cnnc2n1Cc1ccccc1)CN(Cc1ccccc1)CC3
+,,,,,0.0,,,,,,,,,,,,CID852514,CCOC(=O)c1c(C)nc2c(c(SC)nn2-c2ccccc2)c1N
+,,0.0,,,,,0.0,,,0.0,,,,0.0,,,CID660571,CC1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC(C)O1
+,,,,,,,0.0,,,,,,,,,,CID5771420,CC(=O)Nc1ccc(N/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID268105,Cc1cc(C)n(/N=C/c2ccccc2)c(=O)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID2754042,COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccccc3)c(=O)c2C1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5057513,COc1ccc(-c2csc(NC(=O)c3ccccc3C(=O)O)n2)cc1
+,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID662514,CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(OC)cc2OC)cc1
+0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,0.0,CID2983073,COc1ccc(NC(=O)C2CC(=O)NC(Nc3cccc(C)c3)=N2)cc1
+,,,,,,0.0,,,,,,,,,,,CID1117934,CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nnc(C)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID2537029,O=C(CNC(=O)c1cc2c(s1)CCC2)Nc1ccccc1Br
+,0.0,0.0,,,,,,,,,0.0,0.0,,,,,CID666195,Cc1nc2nc[nH]n2c(=O)c1CCC(C)C
+,,,,0.0,0.0,,,,0.0,,,,0.0,,,,CID2081723,Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2Cc2ccccc2)c(C)n1C
+,,,,,,,,0.0,,,,,,,,,CID1288515,O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,,,,CID828450,COc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)cc1OC
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID3241714,O=C(NCCCn1ccnc1)c1noc2c1CCCC2
+,,,0.0,,,0.0,,,0.0,0.0,,,,,,,CID2843263,CCCCS(=O)CC(O)COc1ccc(C(C)(C)C)cc1
+,,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,CID3240981,CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)O)c3c2)CC1
+,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,,CID2328662,CCOC(=O)Cc1csc(-n2sc3ccccc3c2=O)n1
+,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID666544,CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID646629,Cc1ccccc1CCNC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID2139595,Cc1nc(N2CCCC2)c2ccsc2n1
+,,0.0,,0.0,,,,0.0,,,,,,,0.0,,CID2998694,CCOc1ccc2nc(SCC(=O)NC3CCS(=O)(=O)C3)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID4091977,COC(=O)c1ccc2c(=O)n(CCCCCC(=O)NCc3ccc4c(c3)OCO4)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2341018,O=C(CSc1cccc[n+]1[O-])N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1310369,O=C(Nc1ccccc1)c1ccc(Br)c(S(=O)(=O)Nc2cccnc2)c1
+,,,,,,,,,,,,,,0.0,,,CID1911604,CCOC(=O)c1sc(C)c(C(=O)NCC(C)(C)CN(C)C)c1N
+,,,,0.0,,,,0.0,,,,,,,,,CID662045,COC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1
+,0.0,,,,,0.0,0.0,,,,,,,,,0.0,CID5742553,CCOC(=O)C1CCCN(CC(=O)/C(C#N)=C2/NC(c3ccccc3)=CS2)C1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID5307514,Cc1cccc(N2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1C
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID661795,N#C/C(C(=O)NCc1ccccc1)=C1\SC(CCO)C(=O)N1c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1224379,CC(C)CCC1(CCc2ccncc2)C(=O)NC(=O)NC1=O
+0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,CID2997523,O=C(NCc1csc(-c2ccccc2)n1)c1ccco1
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+,,,,,,,,,,,,,,0.0,,,CID762766,Cc1nc2ccccc2n1CC(=O)NN
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+,0.0,,,0.0,,,,,0.0,,,,,0.0,,,CID1246966,COc1ccc(OC)c(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CCC3)c1
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+,,0.0,,,,,,,,,,,,,,,CID651689,O=C(Nc1ccc(F)cc1)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
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+,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID1093362,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)c1
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+,,0.0,,,,,,,,,,,,,0.0,,CID3245887,CCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID1276705,O=[N+]([O-])c1cnn2cc(Br)cnc12
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,,CID730003,Cc1ccc(OCC(=O)n2nc(C)cc2C)c(Br)c1
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+,,,,0.0,,0.0,,,,0.0,,,,,,,CID660594,C=CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1
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+,,,,0.0,,,,0.0,,,,,,,,,CID646024,O=C(Cc1cccs1)Nc1nnc(SCC(=O)N2CCCCC2)s1
+,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,CID2123826,CSc1cccc(-n2c(C)cc(C(N)=O)c2C)c1
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+,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID650443,c1ccc(-c2csc(-n3cnnn3)n2)cc1
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+,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID3237787,CCOC(=O)c1cccc(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID2077906,COC(=O)CNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C
+,0.0,,,,,,,,,,,,,,,,CID756053,Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)n(C)n2)n1
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+,,0.0,,,,,,,,,,,,0.0,,,CID2172337,CCCCOc1ccccc1C1C(C(=O)OC)=CN(CC)C=C1C(=O)OC
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+0.0,,,,0.0,,,,,,,,0.0,,,,,CID4101591,CCOc1ccc2nc(NC(=O)Nc3cccs3)sc2c1
+,0.0,,,0.0,,,,,,,,,,,,,CID3235708,CC(C)C(=O)NC(C)C(c1cccs1)N1CCOCC1
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+,,,,0.0,,,,,,,,,0.0,,0.0,,CID2355594,COc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OC
+0.0,,,,,,,0.0,,,0.0,,,,,,,CID5308508,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N(Cc1ccco1)C1CCCCC1
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+,0.0,,,,,,,,,,,,,0.0,,,CID664734,CCOc1ccc(N2CCCn3c2nc2c3c(=O)n(CCc3ccccc3)c(=O)n2C)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID2999448,O=C1CCC(C(=O)Nc2ccc(OC(F)F)cc2)N1
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+,0.0,,,,,0.0,0.0,,,0.0,,,,,,,CID666177,CC(C)c1nc2oc3c(N4CCNCC4)ncnc3c2c2c1CCC2
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+,,,,,,,,,,,,,0.0,1.0,,,CID347675,O=c1oc(-c2ccccc2[N+](=O)[O-])nc2ccccc12
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+,,,,0.0,,0.0,,,0.0,,,,,,,,CID3240842,COc1ccc(CN2C(=O)c3ccccc3C2C(=O)NCC2CCCO2)c(OC)c1
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+,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,CID1260077,CCOc1cccc(-c2cc(=O)[nH][nH]2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID1306820,COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(C)c2C)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3578009,S=C1NC2=C(C(c3ccc(Br)cc3)N1)N1CCC2CC1
+,,,0.0,,,,,,,,0.0,,,0.0,,,CID764435,CCOc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
+,,,,,,,,,,,0.0,,,,,,CID2282854,Cc1ccc(SCCNC(=O)c2cccc([N+](=O)[O-])c2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2396181,CCCCOc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OCC
+,,,,,,,0.0,,,,,,,,,0.0,CID2881707,Cc1nnc(Nc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12
+,0.0,,,,,,,,,,,,,,0.0,,CID5308022,Cc1nnc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nn12
+,,,,,0.0,,,,,,,,,,,,CID2887590,Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID5309589,Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCCN1CCN(C3CCCCC3)CC1)O2
+,,,,,,,,,,,,,0.0,,,,CID5197384,COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID2545222,Cc1ccnc2nc(C(=O)NCc3cccs3)nn12
+,,,,,,,,,0.0,,,,,,,,CID546968,CN(C)CCCNc1cn[nH]c(=O)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID1011325,O=S(=O)(c1ccc(NC(=S)Nc2ccccc2)cc1)N1CCOCC1
+,,0.0,,,,,,,,,,,,,,,CID3244178,COc1ccc(C2=NOC(C(=O)NCc3ccc(F)cc3)C2)cc1OC
+0.0,,,,,,,,,,0.0,,,,,,,CID662516,O=C1OC(N2CCN(c3ccccn3)CC2)c2ccccc21
+,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,0.0,CID684400,O=C(CSc1ncn[nH]1)Nc1cccc2ccccc12
+0.0,,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID664450,COc1ccc2c(C(=O)CN(C)C3CCCCC3)c[nH]c2c1
+,,,,,,,,,,0.0,,,,,,,CID1295472,CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2574351,O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1
+,,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID644731,COc1c2c(nc3occc13)C(CCC(C)(C)O)(OC)C(O)CC2
+,,,,,,,,,,0.0,,,,,,,CID4095944,O=C(Nc1ccc(Cl)cc1)N1CCCN(Cc2ccccc2F)C1
+,,,,,,,0.0,,,,,,0.0,,,,CID3241830,Cc1ccc2cccc(O)c2[n+]1[O-]
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID874926,CC(C)(NO)/C(=N/O)c1ccc(Br)cc1
+,,,0.0,0.0,,,,,,,,0.0,,0.0,,,CID2559959,CCCn1c(Sc2nnnn2-c2ccccc2)n[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID4882684,CCNC(=O)COC(=O)C1CCC(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID654123,Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nnc2-c2ccccn2)c1
+,,,,,,,,,,,,,,0.0,,,CID864354,Nc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3
+,,,,,,,,,0.0,,,,,,,,CID3214663,O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,,0.0,,,CID2951369,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1484487,COc1ccc(Cn2ccc(=O)c(Cc3c(Cl)cccc3Cl)c2C)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID648537,CCc1cc2c(NCCO)ncnc2s1
+,,,,,,,,,,,,,0.0,,,,CID3559766,COCCN(C(=S)Nc1ccc(OC)cc1)C(C)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2458470,CCc1ccc(C(=O)COC(=O)c2ccc(Cl)nc2)cc1
+,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID2998517,COc1ccc(C(C)=O)cc1CN1C(=O)C(C)N(c2ccc(C)cc2)C1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID2774664,O=C(O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]
+,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,CID2496965,Nn1c(SCC(=O)N2CCc3ccccc3C2)nnc1-c1cccs1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID3236930,CCN(CCCNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O)c1cccc(C)c1
+,,,,,,,,,,,,0.0,,,,,CID3244491,CCOC(=O)CSc1nnc(CNC(=O)c2cc(OCC)c(OCC)c(OCC)c2)n1C
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3240005,CCC(C)NC(=O)c1cc(-c2ccc(OC)cc2)on1
+,,,,,,,,,,,,0.0,,,,,CID3743979,COC(=O)CCCCC(=O)C1C(=O)CC(C)(C)C(C(=O)OC)C1=O
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID663186,CN1CCN(c2ncnc3c2sc2nc(N4CCCC4)c4c(c23)CC(C)(C)OC4)CC1
+,,,,,,,,,,,,,0.0,,,,CID1475369,O=C(CN(c1ccccn1)S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID6517907,CC1CCCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)C1
+,,0.0,,,,,0.0,,,,,,,,,,CID3242988,Cc1ccc(C)c(C(C)NC(=O)C2C3CCC(O3)C2C(=O)O)c1
+,,,,,0.0,,,0.0,0.0,,0.0,,,,,,CID2423156,CCOc1ccc(NC(=O)COC(=O)CCCc2c[nH]c3ccccc23)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307997,O=C(Nc1nnc(N2CCCCCC2)s1)c1cc(-c2ccc(Br)cc2)on1
+,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,CID739288,Cn1c(-c2ccccc2)cccc1=O
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID1268818,c1ccc(-c2nn3nnnc3c3ccccc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID1484668,O=c1nc(SCc2ccccc2)[nH]c2ccsc12
+,,,,,,,,0.0,,,,,,,,,CID1250113,Nc1cc(=O)[nH]c(=S)n1-c1cccc(C(F)(F)F)c1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,CID648385,COc1cc2cc3c(N)c(C(=O)NCc4ccco4)sc3nc2cc1OC
+,,,,,,,,,,0.0,0.0,0.0,,,,,CID661089,CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID650289,O=C1NC(=O)C2(COC3(CCCC3)OC2)S1
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID971042,CCOC(=O)c1c(N)nn(C(=O)C(C)(C)C)c1-c1ccccc1
+,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,,CID662418,CCCNC(=O)c1c(N)n(-c2cccc(OC)c2)c2nc3ccccc3nc12
+,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,CID666365,CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccccc3)no2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5769094,COC(=O)c1cc(/C=C/c2ccccc2)on1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID977019,O=C(c1cnsn1)N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2086211,O=C(Cn1c(=O)oc2ccccc21)NC(=O)NCc1ccccc1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID1047581,Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)Cc1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID707587,O=C(c1ccc2snnc2c1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID9550918,CCOC(=O)C1CCCN(c2c(N3CCN(C)CC3)c(=O)c2=O)C1
+,,,,,,,,,,,,,0.0,,,,CID6527035,COC1=C/C(=C/NNC(=O)C2(O)c3ccccc3-c3ccccc32)C=CC1=O
+,0.0,,,0.0,,,,,,,,0.0,,0.0,0.0,,CID853705,Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
+,,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID967271,Cc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2Cl)c(C)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID659525,COCCCNC(=O)c1c(N)n(-c2cccc(S(N)(=O)=O)c2)c2nc3ccccc3nc12
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,CID700335,COc1ccccc1N(CC(=O)Nc1cccnc1)S(C)(=O)=O
+,0.0,,0.0,,,,,,0.0,,,,,0.0,,,CID649305,CN(C)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O
+,,,,,,,,,,,,,0.0,,,,CID2197490,O=C(Nc1ccc(CN2CCCCC2)cc1)c1cc(Br)ccc1Cl
+,0.0,,0.0,0.0,,,0.0,,,,,,,,,,CID2998696,Cn1c(N)c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(=O)n(C)c1=O
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+,,,,,,,,,,,,,,0.0,,,CID7162436,c1cncc(CSc2ccc(-c3cccnc3)nn2)c1
+,,,,,,,,,0.0,,,,,,,,CID715556,O=C1CSCC(=O)N1c1ccccc1
+,,,0.0,,0.0,,,,,,,,,,,,CID5307336,CC1CCc2nn(CC(=O)NCCCN3CCCC3=O)cc2C1
+,,,,,,,,,,,,,0.0,,,,CID639252,CC(=O)c1cnc2cc(C)nn2c1C
+,,,,,,,,,,,0.0,,0.0,,,,CID830610,CC(=O)/C(=N\Nc1ccccc1)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID5309928,Cn1c(C(=O)NCc2cccs2)cc2c(=O)n(C)c3ccccc3c21
+,,,,,,,,0.0,0.0,,,,,,,,CID3193162,CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2)nc1C
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+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID647627,CCCCOc1ccc(NC(=O)Cn2c(=O)ccc3c(C)cc(C)nc32)cc1
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+,,,,,,,,,,,,,0.0,,,,CID5310759,CCCCN(C)Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12
+,,,,,,,,0.0,,,,,,,,,CID1246013,COC(=O)c1sccc1NC(=O)c1ccc(Br)s1
+,0.0,,,0.0,,,,,,,,,,,,,CID645913,O=C(COC(=O)c1ccco1)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2460587,CCN(C(=O)CSc1nnnn1C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
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+,0.0,,,0.0,0.0,,,,,,,,,,,,CID3241295,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2Cc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1445566,CCOC(=O)c1ccc2c(c1)N(CC(=O)N1CCCCC1)C(=O)C(C)(C)O2
+,,,,,,,,,,0.0,,,,,,,CID980080,CC(=O)Nc1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2769129,Cc1ccc(Oc2ccc(C(=O)NC3CCSC3=O)cn2)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,CID660387,CSc1nnc(-c2ccc(NC(=O)CCc3ccccc3)cc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID997217,Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)NNC(=O)Cc2ccccc2)cc1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1528138,Cc1cc(C)n(C(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)n1
+,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,CID973290,CC(C)CN1C(=O)c2ccc(C(=O)Nc3ccncc3)cc2C1=O
+,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,,CID648080,COc1ccc2cc(C)c(SCC(=O)Nc3cc(C)on3)nc2c1
+,,,,,,,,,,,,,,,0.0,,CID1534926,COc1cc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc(OC)c1OC
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+,0.0,,,,,,,,,,,,,,,,CID5742463,CC(=O)/C(C#N)=C1/NN=C2CCCCCN21
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+,,,,,,,,,,,,,0.0,0.0,,,CID2592834,CCNC(=O)CSc1nnc(-c2cccs2)o1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3237778,CCn1cc(C(=O)N(CCCN2CCOCC2)Cc2ccco2)c(=O)c2ccc(C)nc21
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+,,,,,0.0,,,,,,,,,,,,CID3599792,CCCCSc1nc(C)cc(NC(=S)Nc2ccc(OC)cc2)n1
+,0.0,,,,,,0.0,,,,,,,,,,CID663916,CCCCOc1ncnc2c1[nH]c1ccc(F)cc12
+,,,,,,,,0.0,,,,,,,,,CID648182,COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1
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+,,,,,,,,,0.0,,,,,,,,CID660721,COc1ccccc1NC(=O)Nc1nnc(C(C)C)s1
+,,,,,0.0,,,,,,,,0.0,,,,CID885193,CCc1ccc(NS(=O)(=O)N(C)C)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID1092707,O=C(NCCC1=CCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,0.0,1.0,,,,,,,,,0.0,CID5389514,CCCC1=C/C(=C2\NNC=C2c2ccc3c(c2)OCCCO3)C(=O)C=C1O
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+0.0,0.0,,0.0,,,,,,,,,0.0,,,,,CID973956,CS(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2121427,O=C(COC(=O)c1ccccc1Br)NCCc1ccc(F)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID5390065,CCO/C(O)=C1/C(=O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(OC)cc1OC
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+,0.0,,,0.0,,,,,0.0,,,,,,0.0,,CID662430,COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)c(OC)c1
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+,,,,,,,,,,,0.0,,0.0,0.0,,,CID852119,CCOC(=O)c1cc(C(=O)c2cccs2)n2ccc(C(C)=O)cc12
+,0.0,,,,,0.0,,,0.0,,,,,0.0,,,CID3237140,COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1
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+,,,,,,,,,,,,,0.0,,,,CID2475232,O=C(CCc1nc(=O)c2ccccc2[nH]1)OCc1ccc(-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1073158,COc1ccc(CCNC(=O)Cn2nnc(-c3ccccc3F)n2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID9551219,CC1CCCN(C(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)C1
+,,,,,,,,,,,,,0.0,,,,CID897764,O=C(/C=C/c1ccc(Cl)cc1)NCc1cccs1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID2833563,O=C1CC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)N1c1ccccc1
+0.0,,,,,,,,,,,,,,,,0.0,CID648176,COc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)o2)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID666423,CCOC(=O)N1CCN(c2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCC4)CC1
+,,,,0.0,,,0.0,,,,,,,,,,CID3240495,CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCC2=CCCCC2)C(C)C)cc1
+0.0,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,CID648109,COCCn1c(SCCN2CCCCC2)nc2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID3158809,CCOc1ccc(C2NC(=O)C(C#N)=C(S)N2c2ccc(OC)cc2)cc1OC
+,,,,,0.0,,,0.0,,,,,,,,,CID3219705,COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccc2c(c1)OCO2
+,,0.0,,,,,,,,,,,,0.0,,,CID595031,COc1cccc(=O)c2c(C)oc(C)c12
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID661481,Cc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1
+,,,,,,,,0.0,,,,,,,,,CID2079895,CC(C)CCNC(=O)NC(=O)Cn1cc(C(F)(F)F)ccc1=O
+,,,,,,,,,0.0,,,,,,,,CID2970543,CC(NC(=O)c1ccco1)C1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID9550165,Cc1ccc(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)c(C)c1
+0.0,0.0,,,,,,,0.0,,,,,,,0.0,,CID661945,CCN(CC)CCCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID2288026,O=C(COc1ccccc1)Nc1ccc(CSc2ccccc2)cc1
+,,,0.0,,,,,,,,,,0.0,,,,CID3238138,Cc1ccc(CCNS(=O)(=O)c2cnc[nH]2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1148229,O=S(=O)(c1ccc(Cl)cc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
+,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,CID647091,O=C(Nc1ccc(NC(=O)c2cccs2)cn1)c1ccco1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID784284,CC1CCC(N2CCN(c3ncccn3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID781875,Fc1ccccc1-n1[nH]nnc1=S
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID2191866,c1ccc(CNn2nnnc2-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1215807,O=C(CNc1ccccc1)N/N=C/c1ccc([N+](=O)[O-])o1
+,,,,,,,,,,,,,,0.0,,,CID2927420,N/C(=N\OCC(=O)Nc1cccc2ccccc12)c1nonc1N
+,,,,,,,,,,,,,,0.0,,,CID852305,CCSc1cc(N2CCCC2)nc(-c2ccccc2Cl)n1
+,,,,,,,,,,,,,0.0,,,,CID2801167,Cn1c(N2CCOCC2)cc(=O)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID2868359,CC(C)COCC1CC2(CC(C)(c3csc(N)n3)OC2=O)C(=O)O1
+,,,,,,,,,,,,,,0.0,,,CID1222047,CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c(C#N)c1C
+,0.0,0.0,,,,,0.0,,0.0,,,,,,,,CID645984,CC1CN(C(=O)CN2C(=O)c3ccccc3C2=O)CC(C)O1
+,,,,,,,,,0.0,,,,,,,,CID2876582,CC(NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID12109,Cc1ccc(Nc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4288685,O=C(NCc1cn2ccccc2n1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,0.0,,,CID2129239,O=C(Cc1cccc2ccccc12)N1CCN(c2ncccn2)CC1
+,,,,,,,,0.0,,,,,,,,,CID644638,COc1ccc2[nH]c(=O)c(CN(CCCN(C)C)C(=O)Nc3ccc(F)cc3)cc2c1
+,,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,CID653160,CC(C)n1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID747011,Cc1cc(NCc2ccccn2)nc2ccccc12
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID649325,CCOC(=O)c1sc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)nc1C
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID659943,CSc1nc(Oc2ccc(=O)[nH]n2)nc(N(C)C)n1
+,0.0,,,,,0.0,,,,,0.0,,,,,0.0,CID658903,Cc1ccc2[nH]c3c(=O)n(CCCN4CCOCC4)cnc3c2c1
+,,,,,,,,,,,,0.0,,,,,CID659777,CC1=CC2(C#N)C3(N=C(N)C2(C#N)C(c2ccccc2)N1)OCCO3
+,,,,,,,,0.0,,,,,,,,,CID3237769,O=C(Nc1ccccc1C(F)(F)F)N1CCCC(O)C1
+,,0.0,,,,,0.0,,,,,,,,,,CID2872793,CCN(CC)c1ccc(C2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)CCC3)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID3241273,COc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)c(OC)c1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID648079,Clc1ccccc1Cn1nnc2c(N3CCCC3)ncnc21
+0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,,,CID5308669,Cc1ccc(-c2nc(CS(=O)CC(=O)NC3CCCC3)c(C)o2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID4147745,O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21
+,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID650313,O=C(NCc1cccnc1)NC1CCCCC1
+,0.0,,,,,,,,0.0,,,,,,,,CID702291,Cn1c(=O)c2c(nc(SCc3ccccn3)n2C)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID2531328,CCc1sc2nc(SCC(=O)Nc3cc(C)on3)n(-c3cccc(OC)c3)c(=O)c2c1C
+,,,,,0.0,,,,,,,,,,,,CID3216472,CCOC(=O)C(CC)Sc1nnc2c3cc(C)ccc3n(C)c2n1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID3245362,COc1ccc(C(=O)NCc2nnc(SCC(=O)NCc3ccc(F)cc3)o2)cc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3240247,CC(CCc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
+,,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID2318694,Cn1cnnc1Sc1nc2ccccc2nc1NS(=O)(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID300678,O=C1C2C3C=CC(C3)C2C(=O)N1c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2865612,CC(Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1486791,CCOC(=O)c1sc(=S)n(-c2ccccc2)c1SC
+,,,,,,,,,,,,,,,,0.0,CID5309608,CCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)cc1
+,,,,,,,,,,,,,,0.0,,,CID15945489,CCC(C(=O)NC1CCCCC1)n1c(SCc2cccc(C)c2)nc2ccncc21
+0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,CID2932043,Cc1cc(C)n(C(=O)C23CC4CC(CC(C4)C2)C3)n1
+0.0,,,,,,0.0,,0.0,0.0,,,0.0,,,,,CID1287840,COc1ccc(-c2c(=O)n(OCc3ccccn3)c3ccccc3[n+]2[O-])cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1302558,Cc1cccnc1NC(=S)NC(=O)c1cncc(Br)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID718023,Cc1n[nH]c(SCc2cccs2)nc1=O
+0.0,,,,,,,,,,,0.0,0.0,,,0.0,,CID704084,Cc1cc2ncn(-c3ncnc4sc(C)c(C)c34)c2cc1C
+,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,0.0,CID1256576,COc1ccccc1-n1c(=O)oc2ccc(Cl)cc2c1=O
+,,,0.0,,,,,0.0,,,0.0,,,,,0.0,CID647626,O=C(O)CCCC(=O)Nc1nc(-c2ccccc2)cs1
+,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,CID867488,CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID762763,Cc1ccn(-c2n[nH]c(C)c2[N+](=O)[O-])n1
+,,0.0,,0.0,,,,,,,,,,,,,CID2976225,O=C(CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1
+,,0.0,,,,,0.0,,,,,,,,,,CID2998149,Cc1ccc2c(c1)C1CN(C)CCC1N2CC(=O)N(C)c1ccccc1
+,,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID2917468,COc1cc(C2NC(=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OC
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2630094,Cc1ccc(NC(=O)NC(=O)CSc2nnnn2C)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID1475505,Cn1c(CO)cnc1SCc1ccc(Cl)cc1
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+,,,,0.0,,,0.0,,,,,0.0,,,,,CID1713558,CC1(C)CC(=O)C(=CNCCCO)C(=O)C1
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+,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID1088061,CCOc1ccccc1Nc1nc(N)nc(CSc2nccc(C)n2)n1
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+,,,,,,,,,,,,,,0.0,,,CID2901754,CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID2953297,COc1ccc(N2CCN(/C(=N\S(=O)(=O)c3ccccc3)Nc3nc(C)cc(C)n3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3243225,O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID3104568,Cc1cc(C(=O)NC(CC(C)C)C(=O)O)cc(C)c1[N+](=O)[O-]
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+,,,,,,,,,0.0,,0.0,,,,,,CID822515,O=C(Nc1nccs1)c1csc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1576340,CCCCOC(=O)c1ccc(NC(=O)c2c(OC)cccc2OC)cc1
+,,,,,0.0,0.0,,0.0,0.0,,,,,,,,CID2355897,CN(c1ccc(OCC(=O)N2CCCCC2)cc1)S(=O)(=O)c1cccs1
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+,,,,,,,,,,,,,0.0,,,,CID1045338,COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID808574,CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2=O
+,,,,,,,,0.0,,,,,,,,,CID657656,Cn1c(NCCN2CCCCC2)cc(=O)n(C)c1=O
+,,0.0,,,,,,,,,,0.0,,,,,CID5389070,N#[N+]/C=C(\[O-])CC(c1ccccc1)N1C(=O)c2ccccc2C1=O
+,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,CID3448460,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID2959197,O=C1CC(N(Cc2ccc3c(c2)OCO3)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccccc1
+,0.0,,,,,,,0.0,,,,,,,,,CID284017,c1ccc2[nH]c(N3CCOCC3)nc2c1
+,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3239167,CCOC(=O)N1CCC(NC(=O)CCc2cn(C)c3ccccc23)CC1
+,,0.0,,,0.0,,,,0.0,,,,,,0.0,,CID2998388,CCCCn1c(SCC(=O)N2CC(C)CC(C)C2)nc2cc(S(N)(=O)=O)ccc21
+,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,CID1123742,C=CCn1c(SCC(=O)N2CCOCC2)nc2sc3c(c2c1=O)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID827715,CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1
+0.0,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID1118260,CC(=O)Nc1cccc(NC(=O)c2c(-c3ccccc3Cl)noc2C)c1
+,,0.0,,0.0,,,,,,,,,,,,,CID3237206,CCOC(=O)N1CCC(NC(=O)CSCc2nc(-c3cccc(OC)c3)oc2C)CC1
+,,,,,,,,,,,,,,,0.0,,CID664709,COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1435006,CN(C)S(=O)(=O)c1ccc(NC(=O)Cn2c(-c3ccccc3)noc2=O)cc1
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+,,,,,0.0,,,,,,0.0,,,,0.0,,CID653029,C=CCn1c(NCc2ccc3c(c2)OCO3)nc2ccccc21
+,,,,,0.0,,,,,,,,,0.0,,,CID4178579,Cc1ccccc1N(C)C(=O)c1coc(=O)c2ccccc12
+,,,,0.0,,,,,,,,,,,,0.0,CID368305,COc1ccc2c(c1)NC1(O)c3ccccc3C(=O)C21O
+,,0.0,0.0,,,,,,,,,,,,,,CID5742446,CC1=Nc2ccc(Cl)cc2NC(C)=C1N=O
+0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,CID665416,CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2
+0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID851265,COc1ccc(C(=O)CSc2nnc(-c3ccccc3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5347845,COc1cc(/C=N/N2CCN(c3ccccc3OC)CC2)ccc1OC(C)=O
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+,,,,,,,,,,,0.0,,,,,,CID861294,C1CCN(Cc2nnnn2C2CCCC2)CC1
+,,,,,,,,,0.0,,,,,,0.0,,CID663985,COc1ccc2cn[nH]c(=O)c2c1OC
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID3160872,CCOc1cc(C2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)ccc1O
+,,,,,,,0.0,0.0,,,,0.0,,,,0.0,CID807612,CCOC(=O)C1CCN(C(=O)CSc2ccccc2)CC1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID653042,Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID3267796,COc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1006693,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCCC2=CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID992164,Cc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1
+,,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,CID645400,COc1cc(C2C(C(=O)N3CCCCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1O
+,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0,,CID707553,O=C(NCc1ccco1)Nc1ccc2snnc2c1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID660381,Cn1c(=O)[nH]c(=O)c2c1nc(N(CCO)Cc1ccccc1)n2Cc1ccccc1Cl
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID3244919,Cc1cccc(CN2CCN(CC(=O)NCCCN3CCCC3=O)C2=O)c1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID649207,COc1ccc(CCNC(=O)c2ccc(CN3CCOCC3)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1933432,O=C(NCCCO)C12CC3CC(CC(C3)C1)C2
+,0.0,,,,,,,,,,,,,,,,CID654160,Cc1cc(C)c(S(=O)(=O)N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3C)CC2)c(C)c1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID2997936,OC1CC(c2ccco2)NC2(CCCCC2)C1
+,,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,CID653035,CC1CCCC(C)N1C(=O)CSc1nnc(NC(=O)Cc2cccs2)s1
+,,,,,,,,,,,,,0.0,,,,CID2295500,CN(CCOc1ccccc1)S(=O)(=O)c1ccc2oc3ccccc3c2c1
+,,,,,,,,,,,,,,,0.0,0.0,CID659567,CCc1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(CC)s3)n2)s1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID4238834,Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N1CC(=O)Nc2ccccc21
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID666565,COc1ccc(CCn2c(-c3ccco3)nc3oc4ccccc4c(=O)c3c2=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID5309459,CC(=O)c1cccc(NC(=O)c2cc3ccccn3n2)c1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,,,CID967699,COC(=O)c1ccccc1NC(=O)c1ccccc1SC
+,,,,,,,,,,,,,,0.0,,,CID1105521,N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1cccc(Cl)c1
+0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID3237748,Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCc4ccccc43)cc2s1
+0.0,,,,,,,,,0.0,,,,0.0,,0.0,0.0,CID1246175,O=C(NCc1cccc(Cl)c1)c1ccco1
+,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID715561,Cc1noc(C)c1C(=O)NCc1cccs1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID645280,O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1
+0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,CID892383,Nc1nncn1C(=O)c1ccccc1Cl
+0.0,0.0,,,,,,,,,,,,,,,,CID4416213,CCCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,0.0,,0.0,,,,,,CID704432,CC1CCC2(CC1)SCC(=O)N2c1ccccc1
+,,,,,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,CID1248384,COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnnn1Cc1ccccc1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID655943,Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3N3CCCCC3)CC2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2870684,O=C(CC(=O)c1ccccc1O)c1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID750123,S=C(c1c[nH]c2ccccc12)N1CCCC1
+,,,,,,,,,,,,0.0,,,,,CID5389624,CC/C(NCCO)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O
+,,,,0.0,,,,,,,,0.0,,,,,CID2998774,Cc1cc(F)ccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID685835,COc1ccc(OC)c(S(=O)(=O)n2nc(C)cc2C)c1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID654869,COc1ccc(Cl)c(NC(=O)Cn2nnc(-c3ccccc3N)n2)c1
+,0.0,,,,,,,,,,,,,,,,CID3240115,CCOC(=O)CNc1c(-c2ccc(F)cc2)nc2cnccn12
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID3235845,O=C(N1CCN=C1SCc1cccnc1)C12CC3CC(CC(C3)C1)C2
+,,,,,0.0,,,,,,,,,,,,CID878669,CCOC(=O)/C(=C/c1ccc(O)cc1)C(C)=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2398771,Nc1cccc2c1C(=O)N(C(=O)c1cccc(S(=O)(=O)N3CCCCCC3)c1)C2=O
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1342795,CC(C)CC(=O)Nc1cc(NC(=O)CC(C)C)cc(C(=O)NC(C)(C)C)c1
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID764226,Fc1ccccc1CSc1nc2ncccc2[nH]1
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+0.0,,0.0,,,,,,,,,,,,,,,CID5307266,CCN1CCN(Cc2ccc(NC(=O)Nc3ccccc3Cl)cc2)CC1
+,0.0,,,,,,,,,,0.0,,,,,,CID2997731,CCOC(=O)c1cc(C(C)=O)c(=O)n(C)c1N
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+,0.0,,,,,,,,,,,,,,,,CID5771386,CC1=C(C(=O)Nc2cccnc2)C(c2ccccn2)N2NN=NC2=N1
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+,0.0,,,,,0.0,0.0,,,0.0,0.0,,,,,,CID692270,CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N
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+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID900722,CCOc1ccc(NC(=O)c2cnsn2)cc1
+,,,,,,,,,,,,,,,0.0,,CID5308771,COc1cc(C2CC(=O)c3c([nH]c(C(=O)OCCOC(C)C)c3C)C2)cc(OC)c1OC
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+,,,,,0.0,,,,,,,,,,,,CID2888777,Cc1cc(OCc2ccc(F)cc2)c2c3c(c(=O)oc2c1)CCC3
+,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,CID2849267,CC1CCCCC1NC=C1C(=O)CC(C)(C)CC1=O
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID890072,CCc1c(C)c2ccc(OCC(=O)OC(C)C)c(C)c2oc1=O
+,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,CID800337,Cc1ccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)cc1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID411284,OC(CN1CCCCC1)CN1CCCCC1
+,0.0,0.0,,,,,,,,,,,,,,,CID743357,Cc1nccn1-c1c2c(c(C#N)c3nc4ccccc4n13)CCC2
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID662402,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C(=O)NCC3CCCO3)C(C)C)CC2)cc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID977324,CC(=O)Nc1nc2c(c3c1c(=O)oc1ccccc13)CCCCC2
+,,,,,,,,0.0,,,,,,,,,CID702189,O=c1nc(C(F)(F)F)[nH]c2ccccc12
+,,0.0,,,,,,,,,,,,,,,CID660365,CCCCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
+0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,CID3238454,CCc1ccccc1-n1cnc2cc(C(=O)O)ccc21
+0.0,,,,,,,,,0.0,,,,,,0.0,0.0,CID974772,CCOc1cc(-c2ccc(N)c(OCC)c2)ccc1N
+,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID2621569,CCN(CC(=O)NC(C)C)C(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID5419805,Cc1ccccc1N1C(=O)/C(=C\NN2CCOCC2)C(=O)NC1=S
+,,,,,,,,,0.0,,,,,,,,CID2817391,CC(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
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+,,,,0.0,,0.0,,,,,,,,,,,CID874645,COC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1N
+,,,,,,,,,0.0,,,0.0,,,,,CID3245826,COc1ccc(OC)c(-c2cc(C(=O)NCCN3CCOCC3)no2)c1
+,0.0,,,,,,,,,,,,,,,0.0,CID671089,COC(=O)C1=C(C)N(Cc2ccco2)C(=O)C1
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+,0.0,,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,CID3236338,Cc1ccc(C)c(NS(=O)(=O)c2c(C)nn(C)c2C)c1
+,0.0,,,,0.0,,,,,,,,,,,,CID5309864,Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5cccnc45)CC3)CC2C)c1
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+,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID3144844,CCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
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+,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID2402789,O=C(CSC1=NCCS1)N1CCCC1
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+,0.0,,,0.0,0.0,,,,,,,,,,,,CID3241376,CCOc1ccccc1C(=O)N1CCN=C1SC
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+0.0,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID645043,CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccco1
+0.0,,,,,,,,0.0,,,,0.0,0.0,,,0.0,CID666407,CCc1nc2oc3ccccc3c(=O)c2c(=O)n1Cc1ccccc1
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+,,,,,,,,,,,,0.0,,,,,CID2999368,CC(=O)NC(C)C(=O)OCc1ccc(Cl)cc1Cl
+,,,,,,,,,,,,,,,,0.0,CID934563,CCOc1cccc(C(=O)Nc2ccccc2OC(F)F)c1
+,,,,,0.0,,0.0,,,0.0,,,,,0.0,,CID1085670,CCOc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID3668385,Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID874965,O=CN1CCN(C(=O)COc2ccc3ccccc3c2)CC1
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+,,,,,,,,,,0.0,,,,,,,CID1420263,CC(C)COc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
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+,,,,0.0,,0.0,,,,,,,,,0.0,0.0,CID645878,O=C(CN1C(=O)CSc2ccccc21)Nc1ccc2c(c1)OCCO2
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,0.0,CID630454,COc1ccc(-c2cc(-c3ccccc3)nc(N3CCCC3)n2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID2193398,CSCCNC(=O)c1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID3204840,COc1ccccc1N(CC(=O)NCc1ccc(F)cc1)C(=O)CCC(=O)Nc1ccccn1
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+,,,,,,0.0,0.0,,,,,,,,,,CID5389791,CCOC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OCC)C=C1
+,,0.0,,,,,0.0,,,,,,,,,,CID693068,O=C(Nc1ccncc1)c1cccc(F)c1
+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID661322,Cc1cc(C)n(CCn2nc(C)cc2C)n1
+,,0.0,,,,,,,,,,,,,0.0,,CID3152999,CCOCCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
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+0.0,,,,0.0,,,,,,,,0.0,,,,,CID645341,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cnccn2c1C(=O)c1ccc(F)cc1
+,,,,,,,,,,,,0.0,0.0,,,0.0,CID3244065,CCCCN(C)C(=O)C1CCC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1c1ccc(OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID2016912,CCCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21
+,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,CID1090648,O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccc2c(c1)OCO2
+,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,CID2116959,CCOc1ccc(N2C(=O)c3ccc(C(=O)OCc4c(C)noc4C)cc3C2=O)cc1
+,,0.0,,,,,,,,,,,,,,,CID666004,CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21
+,,,,,0.0,,,,,,,,,0.0,,,CID707197,COc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn23)cc1OC
+,0.0,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,CID665280,CCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc21
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID3244865,CC(C)(C)C1CCc2onc(C(=O)Nc3ccc(F)cc3F)c2C1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3241980,Cc1cc(C)n(C(=O)CCNC(=O)c2ccccc2Br)n1
+,,,,,,,,,,,,,,0.0,,,CID4401555,CCC/C(=N\NC(=O)c1ccccc1Cl)c1ccccc1
+,,0.0,,,,,,0.0,,,,,,,,,CID3241538,CCOC(=O)Cn1cnc2c(nnn2-c2ccc(C)cc2)c1=O
+,,,,,,,,,,,,,,0.0,,,CID3642937,CC1CCCC(NC(=O)CSC2=NCCS2)C1C
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID3238890,O=C(CSc1nc2[nH]ncc2c(=O)n1-c1ccccc1Br)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID5916190,CSC1=NC(=O)/C(=C\c2cccc3ccccc23)S1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID3237697,CC1(C)CC(=O)c2c(nn(-c3ccccc3)c2N)C1
+,,,,,,,,,0.0,,,,,,,,CID1262275,CCC(CC)C(=O)Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C(CC)CC)c2)c1
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID655518,COCCn1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C
+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID1143682,O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID6413621,CCN(C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)C1CCS(=O)(=O)C1
+,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID2128214,COc1ccccc1N(CC(=O)Nc1cc(C)on1)S(=O)(=O)c1cccs1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID2837578,COc1cc(C2C(C#N)=C(N)Oc3cc(O)ccc32)cc2c1OCO2
+,,,,,,,0.0,,,,,,,,,,CID746186,CS(=O)(=O)N1CCN(C(=O)c2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2119700,O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccccc1F
+,,,0.0,,,,0.0,,,,,,,,,,CID3236319,CCN(CC)CCNC(=O)Cn1nc(-c2ccc(C)cc2)ccc1=O
+,,,,,,,,,,,0.0,,,,,,CID3185081,COC(=O)c1cccc(N(C(=O)c2cnccn2)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)c1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2243369,CCN(CC(=O)NC)S(=O)(=O)c1ccc(Br)cc1
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID2998458,Cc1ccc(-c2nnc(SC(C)C#N)n2N)cc1
+,,,,,,,,,,,,,1.0,,,,CID1480155,O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccccc1
+,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,CID653651,CCOC(=O)Cn1nnc(-c2cccc(OC)c2)n1
+0.0,,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,CID662270,Clc1cccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID1519134,Cc1cc(N2CCCC2=O)c(N)cc1N
+,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,CID2938022,COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12
+,,,,,0.0,,0.0,0.0,,0.0,,,,,,,CID5740281,COC(=O)C1=C(C)N2NN=NC2=NC1c1cc2ccccc2o1
+,,,,,,,,,,,0.0,,,,,,CID5435348,O=C1C(Cl)=CC=C/C1=C\Nc1cc(C(F)(F)F)ccc1N1CCCC1
+,,,,,,,,,,,0.0,0.0,,,,,CID648613,COc1ccc(OC)c(C(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)c1
+,,,,0.0,,,,,,,,,,,,,CID2905275,CC1=CCC2C(=O)N(c3cccc(C(=O)N(C)C4CCCCC4)c3)C(=O)C2C1
+,,,,,,,0.0,,,,,,,0.0,,,CID804230,COc1cccc(/C=N/n2cnnc2)c1OCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID6515900,N#Cc1c(N/C=C2/C=CC(=O)C([N+](=O)[O-])=C2)sc2c1CCCC2
+,0.0,,0.0,,,,,,,,,,,,,,CID3241794,Cc1ccccc1-n1nnc2c(=O)oc3ccccc3c21
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1796430,COCCNC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1072100,COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1
+0.0,,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,CID2999977,Cc1ccc(C(=O)Oc2ccc3c(c2)ncn3C)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID2952092,COc1ccc(OC(C)C(=O)NCc2cccnc2)cc1
+,0.0,,,,,,,,,,,,,,,,CID1825553,CCOCCCNc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID2997975,O=C(CNC(=O)c1ccco1)OC(C(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2855383,Cc1nc2ccccc2n1CC(O)Cn1c2ccccc2c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID1089189,Nc1nnc(CCOc2ccc(Cl)cc2)s1
+,0.0,,,,,0.0,0.0,0.0,,,,,,,,,CID2215682,COc1ccc(NC(=O)NCCCN2CCCC2=O)cc1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,,CID976394,Cn1nnc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID1947460,O=C(CNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)OCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID3240360,Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID677925,Cn1c(C(=O)c2ccccc2)nc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID723517,CC(C)c1ccc(OCC(=O)NCc2ccco2)cc1
+0.0,0.0,,,,,,,,,0.0,,,0.0,,0.0,0.0,CID650507,CCOc1ccc(NC(=O)CSc2nc3cccnc3n2CC)cc1
+,,,,,,,,,,,,,,0.0,,0.0,CID2955503,CC(NC(=O)NC12CC3CC(CC(C3)C1)C2)C1CCCO1
+,0.0,,0.0,,,,,,,,,,,,,,CID658336,CCCc1nn(C)c2c1C(c1cccnc1)C(C#N)=C(N)O2
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID2999364,Brc1ccc2nc(CSc3ncn[nH]3)cn2c1
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+0.0,,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID665590,COC(=O)Nc1nnc(CCc2ccccc2)s1
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+,0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,CID2998124,O=c1c2ccccc2nnn1CSc1nc2sc3c(c2c(=O)n1CC1CCCO1)CCC3
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+,0.0,,,0.0,,,,,,,0.0,,,,,,CID663119,Clc1ccccc1CSc1nnc(-c2cccnc2)n1Cc1ccco1
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+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID739907,Cc1c(Cl)cccc1NC(=O)CCN1CCCCCC1
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+,0.0,,0.0,,,,,0.0,,,,,0.0,,,,CID748003,CC(=O)Nc1nonc1C(=O)N1CCC(C)CC1
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+,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID644723,COc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID5389239,CC(C)Oc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2)cc1
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+,0.0,,,,,,,,,,,,,,,,CID659471,COc1ccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2CCO)cc1
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+0.0,,,,,,,,,,,0.0,,,,,,CID1125853,O=C(Oc1cccc(C(=O)N2CCOCC2)c1)c1ccc(Br)cc1
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+0.0,,0.0,,,,,0.0,,0.0,,,,,,,0.0,CID3236673,Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCCC2=CCCCC2)CC1
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+,,,,,,,,,,,,,,0.0,,,CID2252642,COC(=O)c1ccccc1OC(=O)c1cc[n+]([O-])cc1
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID661686,Cc1cc2c(c(=O)n1CCN(C)C)C(c1ccccc1Br)C(C#N)=C(N)O2
+,,,,,,,,,,0.0,,0.0,,0.0,,,CID5309264,COc1ccccc1NC(=O)Cn1c(=O)n2nc(C)nc2c2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID16189016,Cc1ncc(CN2CCCC(C(=O)c3cccc(Cl)c3)C2)s1
+,,,,,,,,,,,,,,,0.0,,CID2860195,CCCc1noc2c1/C(=N/O)CC(CC(C)SCC)C2
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+,0.0,,,,,,,,,0.0,,0.0,,0.0,,,CID647782,O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1cnccn1
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+,,,,,,,,,,,,,0.0,,,,CID2134207,CNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID5147586,O=C(Nc1nnc(-c2ccco2)o1)C1CCCCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID4674711,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cnc4scc(C)n4c3=O)cc2)nc(C)n1
+,,,,,,,,0.0,,,0.0,,,,,,CID2954014,O=C(Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O)c1ccccc1Br
+,,,,,,,,,,,,,,0.0,,,CID676927,Cc1cc(C)n(-c2ccccc2[N+](=O)[O-])n1
+,,,,,,,,,0.0,,,,,,,,CID1330887,CN(C)S(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID2980779,CCOC(=O)C1CCCN(C(=O)c2cnn3c(C(F)F)cc(-c4ccc(C)cc4)nc23)C1
+,,,,,,,,,,,,,,0.0,,,CID1842888,Cc1ccc(CN2CCN(/N=C/C(Br)=C/c3ccccc3)CC2)cc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1252595,CCc1c(C)[nH]c(SCC(=O)Nc2cccc(Br)c2)nc1=O
+,,,,,,,,,,0.0,0.0,,,,,,CID5310378,OCCCC1=NC2=NC(c3ccccc3)=CC(c3ccccc3)N2N1
+0.0,,,,,0.0,,,,0.0,,,,,,,,CID5309628,CC(=O)N1CCc2cc(C(=O)CN3CCN(c4cccc(Cl)c4)CC3)ccc21
+,,,,,,,0.0,,,,,,,,,0.0,CID651073,O=C(O)CCC(=O)N(Cc1cccnc1)Cc1cccc(F)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID2230326,CS(=O)(=O)N(CC(=O)NCCSc1ccccc1)c1ccc2c(c1)OCO2
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID804148,CCN(CC)Cc1csc(C(N)=O)c1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3240536,Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)(C)C)cc1
+,,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID656098,CCC(OC(=O)c1cccs1)C(=O)NCc1ccco1
+,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,CID652386,COc1ccc(-c2nc(N)n[nH]2)cc1OC
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID2216431,OCc1ccccc1OCCOc1ccc(Cl)c2cccnc12
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID2964618,CCCCC1CCC(C(=O)NC2CCS(=O)(=O)C2)CC1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID1488891,O=C1c2ccsc2SCCN1Cc1ccccc1Cl
+,,,0.0,,,,,,,,,,,,0.0,,CID692191,O=C(NCc1ccco1)Oc1ccccc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID662801,COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
+,,,,,0.0,,,,,,,,,,,,CID1084685,Nc1ccc(Cc2nc3c(ccc4ccccc43)[nH]2)cc1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID982889,C=CCn1c(SCc2c(C)noc2C)nc2sc3c(c2c1=O)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID3181519,CC(C)c1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2
+,,,,,,,,,,,0.0,,0.0,,,,CID1252163,CCNS(=O)(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID662033,COCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
+,,,,,,,,,,,0.0,,,,,,CID3244296,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2cccnc2)o1
+,,,,,,,,,0.0,,0.0,,,,,,CID1046979,CCOC(=O)/C(=N\Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID834461,CC(C)NC(=O)c1cc(-n2cnnc2)ccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1271299,O=C(Nc1ccccc1)C1=C(c2ccccc2)S(=O)(=O)CCS1(=O)=O
+,,,,,,,,0.0,,,,,,,,,CID2927417,COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccnc3)C2)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID658842,CC1(C)Cc2c(C#N)c(SCCOc3ccccc3)nc(N3CCOCC3)c2CO1
+,,,,,,,,,,,,,,0.0,,,CID4440184,CCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID775670,S=c1[nH]nc(Cc2c[nH]c3ccccc23)o1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID867456,C(=N/c1nc2ccccc2[nH]1)\c1cccs1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID3237288,Cc1c(C(=O)NCc2ccccn2)sc2nc(-c3ccc(F)cc3)cn12
+,,,,,,,,,,,,0.0,,,,0.0,CID3237003,O=C(C1CC1)N1CCc2cc(S(=O)(=O)N(CCO)Cc3ccccc3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID9547806,COc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID662683,Nc1ccc(SCCN2C(=O)c3ccccc3C2=O)cc1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID756028,Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3244212,Cc1c(C(=O)NCc2cccnc2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12
+,,,,,0.0,,,,,,,,,,,,CID5344010,COc1ccc(/C(C)=N\NC2=NC(=O)C(Cc3ccc(C)cc3)S2)cc1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID2133297,CC(C)NC(=O)NC1C2CC3CC(C2)CC1C3
+,,,,,0.0,,,,,,,,,,,,CID1944152,O=C(Cc1ccccc1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1
+,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID1835833,Cc1cc(Nc2cc(C)on2)n2ncnc2n1
+0.0,,,,0.0,,,,,,0.0,,,0.0,,,,CID2294624,COc1ccc(CSc2nnnn2Cc2ccccc2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID3244136,Cc1cc(=O)oc(C)c1C(=O)NCc1c(F)cc(F)cc1F
+,,,,,,,,0.0,,,,,0.0,,,,CID2312882,N#CC(=C1SC=CS1)c1nc(-c2ccccc2)cs1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2859008,CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID701015,c1ccc(-c2csc(-c3cccnc3)n2)cc1
+,,0.0,,,,,,0.0,0.0,,,0.0,,,,,CID732103,CCOC(=O)c1cccc(NC(=O)c2cccnc2)c1
+,0.0,,,,0.0,,0.0,,,0.0,,,,,,0.0,CID644924,CCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,,0.0,,CID3237148,CCOC(=O)c1nnn(C(CC)C(=O)Nc2cc(C)ccc2OC)c1C(=O)OCC
+,,,,,,0.0,,,,,,,,,,,CID2997728,COC(=O)c1cc(C(O)(C(=O)OC)C(F)(F)F)c(/N=C/N(C)C)s1
+,,,,,,,,,,,0.0,,,,,,CID3119208,CC1(c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,,CID3236500,COc1ccc(OC)c(-c2cc(C(=O)NCCCn3ccnc3)no2)c1
+,,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID3244371,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)Nc3nccs3)cc2CC1C
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID1248971,Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCCC1
+0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID892458,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccc2o1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID660137,O=C(c1cccc2cccc(O)c12)N1CCCCC1
+,,,,,,,0.0,,,,0.0,,,0.0,,0.0,CID2244840,COc1ccccc1N1CCN(C/C(C)=C/c2ccccc2)CC1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID665901,Cc1nc(N)c(C#N)c(-c2cccnc2)c1C
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+,,,,,,0.0,,,,,,,,,0.0,,CID2116196,Nc1c(NCc2ccccc2F)c(=O)[nH]c(=O)n1Cc1ccccc1
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+0.0,,,,,,,,0.0,,0.0,,,,,,,CID2189062,CCCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
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+,,,,,,,,0.0,,,0.0,,,,,,CID2966911,CC(C)NS(=O)(=O)c1ccc(OCC(=O)NCC2CCCO2)c(Cl)c1
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+0.0,,,,,,,,,0.0,,0.0,0.0,,,,0.0,CID2415764,O=c1cc(CSc2nnnn2-c2ccccc2)nc2scc(-c3ccccc3)n12
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+,,,,,0.0,,,,,,,,,,,,CID1561044,CCCCOC(=O)CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S
+,,,,,,,,,,,0.0,,,,,,CID2462953,CCS(=O)(=O)c1ccc2oc(Nc3ccc(C(C)C)cc3)nc2c1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2883205,O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cn1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID3244140,COc1ccc(-c2cc(C(F)(F)F)nc(S(C)(=O)=O)n2)cc1OC
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID647221,CCc1ccc(-c2nn[nH]n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4604770,C/C(=N\NC(=O)c1nc2ccccn2c1C)c1cccc([N+](=O)[O-])c1
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+,,,,,,,,,,,,,0.0,0.0,,,CID2383742,CCS(=O)(=O)c1ccc2oc(SCC(=O)NCCc3ccccc3)nc2c1
+,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2153510,Cc1[nH]c2ccccc2c1SCC(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2963394,CCS(=O)(=O)Nc1cccc(C2=NN(C(C)=O)C(c3cccs3)C2)c1
+,,,,,,,0.0,,,,,0.0,0.0,,,,CID1244669,O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCCCCC1
+,,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,CID648782,O=S(=O)(c1ccccc1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID654759,CCc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)o2)s1
+,,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,CID658961,Cc1cc(C)n(C(=O)CNC(=O)c2ccc3c(c2)OCCO3)n1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID738845,Cn1cnnc1SCCC(=O)Nc1ccccc1
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,,CID868164,COc1cc(NC(=O)COc2cccc(OC)c2)cc(OC)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID555231,O=[N+]([O-])c1ccc2cn(-c3ccccc3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID1288004,COc1cc(C)c(Cl)c(C)c1S(=O)(=O)NC1CC(C)(C)NC(C)(C)C1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID3244631,O=C(NCc1cccs1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2507089,COc1ccc(-c2csc(-c3cccs3)n2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID72971,CCCCOc1ccc(C(=O)O)cc1
+,,,,,,,,,0.0,,,,,,,,CID2914846,O=C(CCCOc1ccc(Cl)cc1)NCC1CCCO1
+0.0,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,CID665275,Cc1nc(=O)c(-c2ccccc2)c(C)n1-c1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID4880305,COc1cc(OC)c(NC(C)C(=O)NCc2ccccc2)cc1Cl
+,,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,0.0,CID655695,COC(=O)c1ccccc1NC(=O)CSc1nnc(COc2cccc(OC)c2)n1C
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3236390,c1ccc2[nH]c(SN3CCOCC3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID16187163,O=C(C1=CC(C2CC2)CC(OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,,CID1250062,Cc1ccc(-n2nnnc2SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID12005701,COC(=O)c1c(N2C(=O)C3C4CCCN4C4(C(=O)Nc5c(C)cccc54)C3C2=O)sc(C)c1C
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID99051,O=C(CC1(O)C(=O)Nc2ccccc21)c1ccccc1
+,,,,,0.0,,,,,,,0.0,,,,,CID3238211,Cn1c(C(=O)O)c(CC(=O)NCc2cccnc2)c2ccccc21
+,0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,,CID664133,Cc1ccc(CNc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1
+,,,,,,,,,,0.0,,,,,,,CID5738100,CCN1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O
+,,,0.0,,,,,,,,,,,,,,CID3239411,CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCN(c4ccccn4)CC3)c2)cc1
+,,,,0.0,,0.0,0.0,,,,,,,0.0,,,CID2997839,CCC(C)n1c(SCC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)nc2ccccc2c1=O
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID1430122,CCCc1cc(Nc2ccccc2OCC)n2ncnc2n1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID791337,O=C(NCc1ccncc1)c1ccc(Br)cc1
+,,,,,,,,,,,,,,,,0.0,CID2972240,Cc1c(N2C(=O)C(C)SC23C(=O)Nc2ccccc23)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID971862,COc1ccc(Cl)cc1NC(=S)NCc1cccnc1
+,,,,,,,,,,0.0,,,,,,,CID9550530,CCOC(=O)c1c(C=O)c(C)n(Cc2ccc(Cl)cc2)c1C
+,,0.0,,,,,,,,,,,,,,0.0,CID3242310,O=c1[nH]c2ccsc2c(=O)n1-c1ccc(F)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID878428,CCCC(=O)c1ccc(N2CCCCCC2)c(F)c1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,CID1263308,O=C(CSc1nnnn1-c1ccc2c(c1)OCO2)NCc1cccs1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1380682,O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCN(CCO)CC1
+,,,,,0.0,,,,,,,,,,,,CID4040614,CCCCCNC1=CC(=O)CC(c2ccccc2)C1
+,,,,,,,,,,0.0,,,,,,,CID3243928,CC(=O)c1c(N2CCCCC2)nc(=O)n(-c2ccccc2)c1C
+0.0,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,,CID750669,COCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3241913,Cc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1Br
+,,,,,,,,,,,0.0,,,,,,CID1081843,CNC(=O)c1ccccc1NC(=O)c1ccco1
+,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,CID655437,COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCSCC3)c(=O)[nH]c2c1
+,,,,,0.0,,,,,,,,,,,,CID3139914,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nc3ccccc3s2)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID658879,CCC(NC(=O)Nc1cc(OC)c(OC)c(OC)c1)(C(F)(F)F)C(F)(F)F
+,,,,,,,0.0,,,,,0.0,,,,,CID5310080,Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccc(F)cc3)cn12
+,,,,,,,,,,,,,0.0,0.0,,,CID2183366,CCCSC1=N/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)S1
+,,,,,,,,,,,,,,,,0.0,CID3245461,Cc1ccc(Cl)cc1-n1c(=O)cc(N2CCN(C(=O)c3ccco3)CC2)[nH]c1=O
+0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0,,CID702896,CC1=CC(C)(C)N(C(=O)CSc2nccn2C)c2cc(C)ccc21
+,,,,,,,,,,,,,,,,0.0,CID3244332,COc1ccc(N2CCN(C(CNS(=O)(=O)c3cccs3)c3cccnc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID878219,CC(C)COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3243770,CCc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)C2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1476660,COc1cccc(CNc2cc(CSc3ccc(Cl)cc3)nc(C)n2)c1
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID2156102,COc1cccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)c1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID652802,Cc1ccc(S(=O)(=O)N(CCO)c2cc3c(s2)CCCC3)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID5389265,O=C1CC(c2ccccc2)N2NC(N3C(=O)CCC3=O)=NC2=N1
+,,,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,CID645003,CC(=O)c1cccc(S(=O)(=O)N(CCCO)Cc2cc3ccc(C)cc3[nH]c2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1100270,Cc1csc(=N)n1Cc1ccccc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3242915,CCOc1ccc(-c2[nH]nc3c2C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC
+0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,0.0,CID647742,Cc1cc(C)cc(NC(=O)C2CCN(c3nccs3)CC2)c1
+,,,,,,,,,,,0.0,,,,,,CID1117371,O=C(c1ccco1)N(Cc1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID3236711,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID6404493,N#Cc1cc(-c2ccccc2)nnc1Sc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2271586,Cc1ccccc1NC(=O)C(=O)NCc1ccco1
+,0.0,,,,,,0.0,,,,,,,,,,CID5307263,CC1CCCC(NC(=O)Cn2cc3c(n2)CCCCC3)C1C
+,,,,,,,,,,,,,0.0,,,,CID4272985,Cc1nnc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)C(C)n4nc(C(F)(F)F)cc4C)C3SC2)s1
+,0.0,,,,,0.0,,,0.0,,,,0.0,,,,CID974570,COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(Cl)c1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID2324502,C/N=C(/Nc1cc(C)nn1CCC#N)c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,,CID651094,Cc1cc(NC(=O)CSc2nnc(CNc3cccc(C(F)(F)F)c3)n2Cc2ccco2)no1
+,,,,,,,,,,,,,0.0,0.0,,,CID2116296,NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID846027,C=CCc1c(C)nc2c(C)c(-c3ccc(C)cc3)[nH]n2c1=O
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID648817,Cc1ccc(O)c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID664066,COc1ccc(-c2nc(C#N)c(NCc3ccccc3Cl)o2)cc1OC
+,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,CID1091994,CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)CC1
+,,,,0.0,,,,,0.0,,,,,,,,CID665949,CCC(=O)OC1=C2C(=Nc3c(c(=O)n(C)c(=O)n3C)C2c2ccccc2)c2ccccc21
+,,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID1301470,COC(=O)COc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID651188,CCN(CC)C(=O)Sc1cccc2cccnc12
+,0.0,,,,,,,,,,,0.0,,,,,CID650874,COc1ccc(OCC2CNC(=O)O2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3243071,CC(C)c1cc(C(=O)NC2CCCCC2)no1
+,,,,,,,,,,,0.0,,,,,,CID1454981,Cc1ccc(C)c(N(CC(=O)NC2CCCC2)C(=O)c2oc(C(C)(C)C)cc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID3937438,COCC(C)NC1=NN=C(c2cc(C)n(Cc3ccccc3Cl)c2C)CS1
+,,,,,,,,,,0.0,,,,,,,CID2348019,CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID2476996,CCc1nc2ccc(C(=O)Nc3cccc(C(C)=O)c3)cc2nc1CC
+,,,,,,0.0,,,,,,,,,0.0,,CID3242607,O=C(C1CCCN(S(=O)(=O)c2ccc(Br)s2)C1)N1CCCCCC1
+0.0,,,,0.0,,,,,,,,,,,,,CID651846,CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCC(Cc2ccccc2)CC1
+0.0,0.0,,,,0.0,0.0,,,,,,,,,,,CID2120163,Cn1c(SCCCC(=O)c2ccccc2)nnc1-c1ccncc1
+,0.0,,,,,,0.0,0.0,0.0,,,,0.0,,,,CID2978089,Cc1ccccc1OC(C)C(=O)NC1CCCC1
+,,,,,,,,,,0.0,,,,0.0,,,CID1867517,COCCn1c(-c2ccccc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2266240,Cc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ccc(F)cc2)c2cccc3cccnc23)cc1
+0.0,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID871749,COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID2965288,CCC(=O)Nc1sc2c(c1C#N)CC(C)(CC)OC2
+0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0,CID2941543,CN(C1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1)c1ccc(O)cc1
+,,,,,0.0,,,,,,,,,,,,CID788625,Cc1cc(=O)oc2cc(OCC(=O)c3ccc(F)cc3)ccc12
+,,,,,,,,,,,,,,0.0,,,CID2846403,CCCCN(Cc1ccccc1)C1CCN(CCc2ccccc2)CC1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID647246,CCN(CC)C(=O)c1ccc(NC(=O)CSc2nnnn2-c2cc(OC)ccc2OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID6222420,C=CCN1C(=O)NC(=O)/C(=C(/C)NCCc2ccccc2)C1=O
+,,,0.0,0.0,,,,,,,,,,,,,CID2419715,c1ccc(-n2nnnc2-n2nnc3ccccc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID1454979,Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(C(C)(C)C)cc1C
+,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID1301009,Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID674915,Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID1817984,CCCCn1nnnc1NCc1ccc(N(CC)CC)cc1
+,,,,,,,,,,,,,0.0,,,,CID5902829,O=C1c2ccccc2NC2=NCC(CSc3ccc(Br)cc3)N12
+0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID665858,COc1cc(-c2noc(-c3ccccc3C(=O)NCc3ccco3)n2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID563207,CC(C)c1ccc(CNC(=O)CCc2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID4880601,COc1ccc(-c2nnc(SC(C)C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID745879,CN(C)S(=O)(=O)c1ccc2c(c1)nc1n2CCC1
+,,,,,,,,,,,,,,0.0,,,CID4014739,Cc1[nH]c2c(C)cccc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID5307738,CN(Cc1ccco1)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID2950920,Cc1cc(C)c2c(c1)NC(=O)C2(O)CC(=O)c1cccs1
+,,,,,,,,0.0,0.0,,,,,,,,CID707716,COCc1cc(C)nc2sc(C(=O)N3CCCCC3)c(N)c12
+,,,,,,,,,,,,,,0.0,,,CID890046,CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID2962098,CC1(C)CC(=O)C2=C(C1)N(Cc1ccc(F)cc1)C(=O)C2(NC(=O)c1cccnc1)C(F)(F)F
+,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,0.0,CID659110,O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,0.0,CID975543,CC(=O)Nc1ccc(NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID763823,CCOc1cc(OCC)cc(C(=O)Nc2cc(C)ccn2)c1
+,,,,,,,,,,,,,,0.0,,,CID1483446,COc1ccc(C(=O)/C(=C/N(C)C)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2673212,COC(=O)c1ccc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c1
+,,,,,,,,,,,,,,0.0,,,CID1269652,CN(C(=O)c1ccc(COc2ccccc2Br)o1)c1ccccc1
+0.0,0.0,,,,,0.0,,,,0.0,,,,,,,CID2348035,Cn1cnnc1SCC(=O)N1CCC(Cc2ccccc2)CC1
+0.0,,0.0,,,,,,,,,,,,,,,CID4129843,O=C1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CN1CCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID3213608,COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccoc2C)cc1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID666549,CCCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1
+,,,,,0.0,,,,,,,,,,,,CID1520820,COC(=O)c1cccc(N2C(=O)C=CC2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID4252186,CCC(Oc1cc(Cl)ccc1Cl)C(=O)NNC(=O)CCC(=O)O
+,,,,,,,,,,,,,,0.0,,,CID1345238,Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID974392,CCOC(=O)N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
+,,,,,,,,,,,0.0,,,,,,CID6016133,CC(C)c1ccc(/C=C/C(=O)n2nnc3ccccc32)cc1
+,,,,,,,0.0,,,,,,,,,,CID2960914,COC(=O)c1ccc(OC(=O)C2CC(=O)N(c3cccc(C)c3)C2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID666375,N#Cc1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1487149,COc1ccnc(Oc2ccccc2)c1C(N)=O
+,,,,,0.0,,,,,,,,,,,,CID1474781,O=C(Nc1ccc2c(c1)OCCO2)N1CCN(c2ccccc2)CC1
+0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,CID653421,CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID677934,O=C(CN1C(=O)c2ccccc2S1(=O)=O)Nc1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2581531,CCc1ccc(Nc2nnc(SCc3cc(=O)n4ccsc4n3)s2)cc1
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID3410516,Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1
+,,,0.0,,,,,,,,,,,0.0,,,CID571889,CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccncc1
+,0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID659643,Cc1ccc(SCc2nnc(N)s2)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID2469835,CC1(C)Cc2cccc(OCC(=O)Nc3cccnc3Cl)c2O1
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+,0.0,0.0,,,,,0.0,,,,,,,0.0,,,CID753569,Cc1ccccc1OCc1nnc2c3cnn(C)c3ncn12
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+,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,CID716133,COc1ccccc1Nc1nc(=O)cc(C)[nH]1
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+,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID3239264,COc1ccc(N2CCN(C(CNC(=O)c3ccc4c(c3)OCO4)c3cccnc3)CC2)cc1
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+,,,,,,,,0.0,,,,,,,,,CID1908666,COc1ccccc1/C=C/C(=O)NCC(=O)N/N=C/c1cc(Br)ccc1OC
+,0.0,,,,,,,,,,,0.0,,,,,CID2970046,CCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1
+,,,0.0,0.0,,,,,,,,0.0,0.0,0.0,,,CID648008,CCN(CC)CCNC(=O)C(C(=O)c1ccccc1)n1ccccc1=O
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+,,,,0.0,,,,,,,,,,,,,CID1796286,CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccco3)o2)c(C(=O)OCC)c1C
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+0.0,0.0,,,,,0.0,,,,,,0.0,,,,0.0,CID2206824,COc1cc(OC)c(NC(=O)Nc2ccc(OC)c(OC)c2)cc1Cl
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+,,,,,0.0,,,,,,,,,,,,CID4879767,COc1cc2c(cc1NC(=O)c1cccnc1)oc1ccccc12
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+,,,,,,,,0.0,,,0.0,,,,,0.0,CID660880,COc1cc(C2C3CNCC=C3C(C#N)=C(N)C2(C#N)C#N)ccc1OC(C)C
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID2372894,Cc1cc(-c2nnco2)c(C)n1-c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID247440,Cc1cc(C(F)(F)F)c(C#N)c(=O)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID896752,O=C(NCc1ccncc1)c1cnccn1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,,CID756149,Fc1ccc(-c2nnc(-c3ccc(Cl)cc3)o2)cc1
+,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID645744,COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccco1)C1CCCCC1
+,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0,CID665572,Cc1cc(NCCN2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
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+,,,,,,,,,,,0.0,,,,,,CID1475830,COC(=O)c1sc2ncccc2c1OCc1ccccc1Cl
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+,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,CID748890,Cc1c(NC(=O)c2ccc(F)cc2)c(=O)n(-c2ccccc2)n1C
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+,,,,,0.0,,,,0.0,,,,,,,,CID769176,Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID3676549,Cc1cc(Cl)ccc1OC(C)C(=O)NCCCCc1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,,CID657712,CN1CCc2c(C#N)c(N3CCCCC3)nc(N3CCOCC3)c2C1
+,,,,,,,,,0.0,,,,0.0,,,,CID1817841,C=CCOc1c(CNc2ccc(S(N)(=O)=O)cc2)cccc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID2480835,O=C(NCCN1CCOCC1)c1ccc2ccccc2n1
+,,,,,0.0,,,,,,,,,,,,CID5345259,COc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2c2cccc(OC)c2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID3238743,O=C(Cn1cccc1C(=O)c1ccccc1)NCCN1CCOCC1
+0.0,,,,,,,,,,,,0.0,,0.0,,,CID1254764,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID1186737,CCOC(=O)c1nn(-c2sc(C(=O)OC)c(C)c2C(=O)OC)cc1O
+,,,,,0.0,,,,,,,,,,,,CID11957295,Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)NC3CCCCC3)c3ccccc3)ccc2n(C)c1=O
+,,,,,,,,,,0.0,,,,,,,CID2904652,CCCCC(CC)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID715581,COc1ccccc1NC(=O)C1CCCCC1
+,,,,0.0,,,,,0.0,,,,,,,,CID2999070,CC1CC(C)CN(C(=O)COc2ccc(-c3nnco3)cc2)C1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID664981,Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)O)[nH]n1
+,,,,,,,,,0.0,,,0.0,,,,,CID2224327,O=C(CSc1nc(=O)c2[nH]cnc2[nH]1)NC1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID2943068,CCS(=O)(=O)CCSc1nc2c(cc1C#N)CCCC2
+,,,0.0,,,,,,0.0,,,,,,,,CID2053215,C=CCNS(=O)(=O)c1sccc1/C=N/O
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID1377840,O=C1c2ccccc2C(=O)C1Cc1cccc2ccccc12
+0.0,0.0,,,,,,,0.0,,,0.0,,,,,,CID975290,CCOC(=O)c1ccc(-n2ncc(C(=O)OCC)c2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID3894146,Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)n1CC1CCCO1
+,,0.0,,,,0.0,,,,,,,,,,,CID653713,COc1ncccc1C(=O)NCC(CC(=O)O)c1ccccc1
+,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,CID762462,CN(C)/C=C1\C=C(c2ccccc2)OC1=O
+,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,0.0,CID651587,O=C(OCCCN1CCCCC1)c1ccc(O)cc1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID1212264,Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n[nH]1
+,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,,,CID661172,Cc1[nH]c(SCC(N)=O)nc(=O)c1Cc1ccc(OC(C)C)cc1
+0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID3238540,O=C(CN1C(=O)CCSc2ccccc21)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5289675,O=c1/c(=C/c2ccco2)sc2nnc(-c3ccccc3)n12
+,,,,,,,,,,,,,0.0,,,,CID2894446,CCC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O
+0.0,,0.0,,0.0,,,,0.0,,,,,,,,0.0,CID1319508,CC(=O)Nc1ccc(NC(=O)CN(c2ccccc2Cl)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID980260,Cc1cc(C)cc(NC(=O)c2ccc(CSc3nnc(C)s3)cc2)c1
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,,CID573353,Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1091474,O=S(=O)(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID2391902,Nc1cc(=O)nc(SCC(=O)Nc2ccc(F)c(Cl)c2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2901653,Cc1ccoc1C(=O)NCCNc1ccc(Cl)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID1444742,CCCN(C(=O)c1ccco1)c1nnc(-c2ccccc2C)s1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID629125,Cc1cc(C)c2c(N)c(S(=O)(=O)c3ccccc3)sc2n1
+,,,,,,,,,,,,,,0.0,,,CID2392375,O=C(Cc1nc2ccccc2[nH]1)c1ccc(Br)cc1
+,,,,,,,,,,,,0.0,,,,,CID3242152,COc1ccc2c(c1)CCc1c-2n[nH]c1C(=O)O
+,0.0,,0.0,,,,0.0,,,,,,,,0.0,,CID3237948,CCOC(=O)N1CCN(C(=O)Cn2ncn3nc(-c4cccs4)cc3c2=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID5349511,CC(C)(C)c1ccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2c2nncs2)cc1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2852940,CC12CC3CC(C)(C1)CC(C(=O)Nc1nn[nH]n1)(C3)C2
+,,,,,,,,,,0.0,,,,,,,CID3804069,O=C1CCCC(O)=C1C1NCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID2350907,CN(C(=O)CSC1=NCCS1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2946772,Cc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3ccccn3)CC2)cc1
+0.0,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2998843,c1ccc2c(c1)C(NCC1CCCO1)=N/C2=N\CC1CCCO1
+,,,,,,,,,0.0,,0.0,,,,,,CID3127886,O=C1C2C3C=CC(C3)C2C(=O)N1CNc1ccccn1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID1616388,CCCCCC(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1
+,,,,,,,,,0.0,,,,,,,,CID664834,CC1(C)C2CCC1(C)C(OC(=O)CCn1ccnc1)C2
+,,,,0.0,,,0.0,,,,,,0.0,,,,CID652664,COc1ccc(C2(O)CCN(CC(=O)Nc3nccs3)CC2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID872009,CC1(C)CC(=O)c2cc(C(=O)O)c(=O)n(-c3ccccc3)c2C1
+,,,,,,,,0.0,0.0,,,,,,0.0,,CID3245431,CCCCN(CC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
+,,,,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,0.0,CID3238693,CC(C)N1C(=O)c2ccccc2C1C(=O)NC1CCCCCC1
+0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2999679,Cn1ccnc1SCC(=O)Nc1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1471685,CC(C)c1ccc(/C=C/C(=O)CCC(=O)O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2858879,CCOC(=O)C1=C(C)N=C2c3ccccc3C(=O)C2C1c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID16189056,COc1cccc(CN2CCNC(=O)C2CC(=O)NCc2cc(C(C)C)no2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID946161,CSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID5307694,CCOC(=O)N1CCC(N2C(=O)c3cc(C(=O)NC4CCCCC4)ccc3C2O)CC1
+,,,,,,,,,,,,,,0.0,,,CID2134769,CC(=O)Cc1nsc(NC(=O)c2ccccc2F)n1
+,,,,,,,,,,,,,,,0.0,,CID2942027,CC(=O)c1c(N2CCN(C(=O)C3CCCO3)CC2)nc(=S)n(-c2ccccc2)c1C
+,,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,CID665844,Cc1cccc(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3245625,COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1
+,,,,,,,0.0,,,0.0,,,,,,,CID5307665,O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N1CCCC1
+0.0,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,0.0,,CID2576673,CCCn1c(SCc2cc(=O)oc3ccc4ccccc4c23)n[nH]c1=O
+1.0,,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID876417,Cc1ccc(OCc2nc(-c3ccccc3)no2)c(C)c1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID645294,Cc1cccc(NC2=NCCCS2)c1C
+,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,CID665075,CC1(C)CC(=O)c2cnc(NCc3ccco3)nc2C1
+,,,,,,,,,,,,,,0.0,,,CID5761049,Cc1ccc(NC(=O)/C(=C/c2ccncc2)NC(=O)c2ccccc2)cc1
+,,,,0.0,,,0.0,,,,,,,,,,CID1387525,CCOC(=O)c1sc2nc(N3CCCC3)c3c(c2c1N)CC(C)(C)OC3
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,CID793494,COc1ccc(OC)c(C(=O)c2ccc(C(=O)O)cc2)c1
+,,,,,,0.0,,,,,,,,0.0,,,CID646233,Cc1ccc(C(=O)C(C)OC(=O)C2CC(=O)N(C3CCCCC3)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2891793,Cc1ccc(C(=O)N/C(=C\c2cccc(Oc3ccccc3)c2)C(=O)NCCCn2ccnc2)cc1
+,,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID3241582,CCC1C(=O)N=C(SCC(=O)Nc2ccc(C(=O)OC)cc2)NC1=O
+,,0.0,,,,,,,,,,,,,0.0,,CID645365,Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)Cc3nnnn3CC3CCCO3)cc2c1
+,,,,,,,,,0.0,0.0,,0.0,,,,0.0,CID2966874,CCOC(=O)N1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2054569,CC(=O)c1coc2c1cc(O)c1ccccc12
+,,,,,0.0,,,,,,,,,,,,CID718369,CCN(C(=S)Nc1ccccc1F)C1CCCCC1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID738010,O=Cc1ccc2noc(-c3ccccc3)c2c1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID2163994,CCCCOCCCNS(=O)(=O)c1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID664065,Cc1cccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)c1
+,,,,,,,,,,,,,,0.0,,,CID16194077,COCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21
+,,,,,,,,,,,,,0.0,,,,CID2407021,CCN1CCN(CC(=O)c2cc(Cl)ccc2Cl)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2490092,Cc1ccc(NC(=O)Cn2nnc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID727717,c1csc(-c2nnc(N3CCOCC3)c3ccccc23)c1
+,,0.0,,,,,,,,,,,,,,,CID666650,Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O
+,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID2854508,CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccc(Cl)cc2)NC(=O)N1
+,,,,,,,,,,,0.0,,0.0,,,,CID2858902,COC(=O)C1=NN(C(=O)c2ccc(Cl)cc2)C(O)(c2ccccc2)C1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,CID662283,COc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1
+0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID666674,CCOc1cc(-c2noc(-c3cccnc3)n2)ccc1OC
+,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,0.0,CID2250732,CCc1ccccc1OCCCCCNCCO
+0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID654212,Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)n1C
+,,,0.0,0.0,,,,,,,,,,,,,CID2116656,NC(=O)NC(=O)COC(=O)CCCc1c[nH]c2ccccc12
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID3236665,COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID830476,CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1
+,,,,,,,,,,,,,,0.0,,,CID1572933,CC(C)(C)CC(=O)NC(=S)NCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2868444,CCN(CC)c1ccc(C2C(C(C)=O)C(=O)CC(C)(O)C2C(C)=O)cc1
+,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID2436425,Cc1noc(C)c1COC(=O)c1ccc2ccccc2n1
+,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,,CID1105149,O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1CCCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID850118,COc1ccc(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
+,,0.0,,,,,,,,0.0,,,0.0,0.0,,,CID658231,CC(C)c1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
+,,,,,,,,,,,,,,0.0,,,CID2215824,CCCCc1n[nH]c(=S)n1Cc1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID31736,O=C(O)c1ccccc1C(=O)OCc1ccccc1
+,0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,CID2669725,O=C(CSc1n[nH]c(-c2ccccc2)n1)NC(=O)NCc1ccco1
+,,,,,,0.0,0.0,,0.0,,,0.0,,,,,CID645275,COc1ccc(-c2[nH]nc3oc(=O)cc(C)c23)cc1
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID2946611,CCCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1
+,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,,CID2948508,C=CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1sc(N)nc1C
+,,,,,,,,,,,,,0.0,,,,CID6670525,O=C(O)C1=CC(c2ccc3c(c2)OCO3)CC(OCc2ccc(CO)cc2)O1
+,,,,,,,,,,,,,,,0.0,,CID2997901,CCC(c1nnc(SCC(=O)NCC2CCCO2)n1Cc1ccccc1)N(C)C
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID646353,CCOC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1714948,CCN1C(=O)/C(=C2/C=Cc3ccccc3N2CC)SC1=S
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3238351,O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1
+0.0,,,,,,,,,,,,0.0,,,,,CID3237661,Cc1ccc(-c2noc(CCC(=O)NCCCN3CCN(c4cccc(Cl)c4)CC3)n2)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID5310175,COc1ccccc1CCNS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O
+,0.0,,,,,,,,,,,0.0,0.0,,,,CID1537483,Cc1csc(=N)n1-c1ccc(Cl)cc1
+,,,0.0,,,,,,0.0,,0.0,,,,0.0,,CID2326373,CCOC(=O)c1csc(NC(=O)C2CCCCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID963834,COc1ccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID2983927,COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccccn3)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2212011,COC(=O)c1c(NC(=S)Nc2ccc(CC(=O)O)cc2)sc(C)c1C
+,,,,,,,,0.0,,,,,,,,,CID3850869,Fc1ccc2[nH]c3c(NCCN4CCOCC4)ncnc3c2c1
+,,,,0.0,,,,,,,,,,,,0.0,CID661183,COc1ccccc1C1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2271249,O=C(/C=C/c1ccccc1)N1CCC(Cc2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID1119207,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,0.0,,,,,,,,,CID2350210,O=C(CSc1nc2cc(Cl)ccc2s1)c1ccco1
+,,,,,,,0.0,,,,,,,,0.0,,CID2192323,O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,,CID659700,N#Cc1c2ncn(CC(=O)c3ccc(Br)cc3)c(=O)c2c2n1CCC2
+,,,,,0.0,,,,,0.0,,,,,,,CID743082,O=C(Nc1cccc2nsnc12)c1ccc2c(c1)OCO2
+,,,,,1.0,,,,,,,,,,,,CID5752007,CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1484382,O=S(=O)(NCc1cc(-c2ccccc2)no1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID3301428,O=C(CCC(=O)OC(C(=O)c1ccccc1)c1ccccc1)Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID653199,CCS(=O)(=O)n1nc(-c2ccccc2)nc1N
+,,,,,0.0,,,,,,,,,,,,CID1234269,CCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID5742552,C/C(N)=C(/C#N)C(=O)COC(=O)c1ccncc1
+,,,,,,,,,,,0.0,,,,,,CID901040,Clc1ccc2c(NNc3ccccc3Cl)ccnc2c1
+,,,,,,,,,,,,,,0.0,,,CID2848477,COc1cc(Nc2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-]
+,,0.0,,,,,,,,,,,,,,0.0,CID3243553,CCN(CCCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)c1cccc(C)c1
+,,,,,0.0,,0.0,,,,,,,,,,CID2253328,CCCCNc1cc(NC(C)=O)cc2cc(OC)c(OC)cc12
+,,,0.0,,,0.0,,,0.0,0.0,0.0,,,,,,CID649993,CC1(C)CC(=O)C=C(NCc2ccco2)C1
+,,,,,,,,,,,0.0,,,,,,CID5308776,Cc1ccc(S(=O)(=O)N2C3C=CC(C3)C2C(=O)O)cc1
+0.0,,,,,,0.0,0.0,,,,,,0.0,,0.0,0.0,CID3244312,Cc1ccc(CNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID1292253,COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCOCC2)cc1[N+](=O)[O-]
+,,,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,CID3240887,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2OC)cc1
+0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,CID644522,COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID5100549,C=CCC1c2cccc(C(=O)OC)c2C(=O)N1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID265000,Cc1cc(C)n(/N=C/c2ccco2)c(=O)c1C#N
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID822267,O=C(Nc1ccc(N2CCCC2)cc1)c1ccc(Br)o1
+0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID1265885,Cc1ccc(SCc2cc(=O)nc(N3CCN(Cc4ccccc4)CC3)[nH]2)cc1
+,0.0,,,,,,,,,,,,,,,,CID719013,Cc1[nH]c2ccccc2c1C(=O)CSc1ncn[nH]1
+,,,,,,,,0.0,,,,,,,,,CID1082877,COc1ccc(NC(=O)CN2C(=O)c3cccc4cccc2c34)cc1OC
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID660100,CCN(CC)c1ccc(-c2nc3cnccc3n2C)cc1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID655258,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3c(C)nn(-c4ccccc4)c3Cl)CC2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID3239894,Cc1nn(Cc2ccc(C(=O)NC(C)(C)C)o2)c(C)c1Br
+,,,,0.0,,,,,,,,,,,0.0,,CID652815,O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID654707,COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3CC3CCCO3)o2)cc1OC
+,,,,,0.0,,,,,,,,0.0,,,,CID2015090,CC(/C=C1\SC(=S)N(NC(=O)c2ccc(C)cc2)C1=O)=C\c1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID661252,C=C(C)CN1CCN(c2c(CCC#N)c(C)c(C#N)c3nc4ccccc4n23)CC1
+,,,,0.0,,,,,,,,,,,,,CID2962890,O=C1CC(c2cccs2)c2cc3c(cc2N1)OCCO3
+,0.0,,,,,,,,,,,0.0,,,,,CID2548181,NC(=O)C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1
+,,,,,,,,,,0.0,,,,,,,CID9550411,O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NC1CCCCCC1
+0.0,,,,,,,,,0.0,,,,,,,,CID3235947,CCOC(=O)N1CCN(C(=O)c2ccc3nc(N4CCC(C)CC4)sc3c2)CC1
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID649841,Cc1ccc(C(=O)Nc2nncs2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID2997891,Cc1nn(-c2ccccc2)c2sc(C(=O)OC3CCOC3=O)cc12
+,,,,,,,,,,,,,0.0,,,,CID686632,CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C
+,,,,,,0.0,,,,,,0.0,,,,,CID666925,CC1(C)Cc2nc3oc4c(=S)nc[nH]c4c3cc2CO1
+,,,,,,,,,,,0.0,,,,,,CID950649,Cc1cc(N2CCCCC2)nc(NCc2ccccc2)n1
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+,0.0,,,,,,0.0,,,,,,,,,,CID3245681,Cc1cc(N(CN2CCCC2=O)C(=O)c2ccc(F)cc2)no1
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+,,,0.0,,,0.0,,,,,0.0,,0.0,,,,CID713873,CNC(=O)c1nnn(Cc2ccccc2)c1NC(C)=O
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+,,,,,,,,,,,0.0,,,,,,CID697198,CCOC(=O)CSc1nnc(-c2ccccc2)o1
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+,,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID2083153,Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(C)n1C
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+,0.0,,,,0.0,,,,,,,,,,,,CID645862,CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)C1
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+,,,,,,,,,,0.0,,,,,,,CID894144,O=C(O)CCc1ccc(-c2ccc(F)cc2)n1CCC(=O)O
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+,,,,,,,,,,,,,,0.0,,,CID821953,Cc1cc(C(=O)N(C)C)sc1-c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID2077902,N#Cc1ccc(NC(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)cc1
+,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,CID650151,CCn1nnc(NC(=O)c2c(OC)cccc2OC)n1
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+,,0.0,,,,,0.0,,,,,,,,,,CID5389059,CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1ccccn1
+,,,,,,,,,,,0.0,,,0.0,0.0,,CID806279,CCC(=O)Nc1cccc(Br)c1
+,,,,,,,,,,,0.0,,,,,,CID1464396,Cc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)Cc2nnnn2Cc2ccco2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1416668,COc1ccc(/C=C2\SC(=N)N(c3nccs3)C2=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID3553766,COc1ccc(C(=O)Nc2nc3c(s2)Cc2cc(OC)ccc2-3)cc1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2568934,COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)c1c(C)noc1C
+,,,,,,,,,,,,,0.0,,,,CID709146,CCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O
+,0.0,,0.0,,,,,,,0.0,,,,0.0,,,CID5390034,COc1ccc(OC)c(NC(=O)C2=C/C(=C3/C=C(Cl)C=CC3=O)NN2)c1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID3241230,CC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2
+,,0.0,,0.0,,,,,,,,,,,,,CID3236820,O=C(NCCN1CCc2ccccc2C1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,,,,,,,,,,,,,,,0.0,,CID654663,CC(C)c1nc2cc3ccccc3cc2[nH]1
+,,,,,0.0,,,,,,0.0,,,,,,CID878314,O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cn1
+0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,CID649517,COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1
+,,,,,,,,,,,0.0,,,,,,CID935461,COc1cc(S(=O)(=O)NC2CCCC2)ccc1F
+,,,,,,,,0.0,,0.0,,,,,,,CID1090666,CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2cccnc2)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID3240406,COc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c2=O)cc1
+0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,CID663497,CC(NC(=O)CSc1nnc(COc2ccccc2)o1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID833135,Cc1occc1C(=O)NNC(=O)Cc1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,,CID656173,CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC(C)C
+,,,,,,,0.0,,,,,,,,,,CID5106913,O=C(NCCn1ccc2ccccc21)c1ccc2c(c1)OCO2
+0.0,,,,,,,0.0,,,,,0.0,,,0.0,,CID653593,COC(=O)C1=CN(CCCN2CCCC2=O)C=C(C(=O)OC)C1c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID805286,CCNc1nc(OC)nc(Oc2ccc(C(=O)OC)cc2)n1
+,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,CID2135886,O=C(O)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID646601,COc1cc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2cc1OC
+,,,,,,,,,,,,,,,0.0,,CID3238891,Cc1cccc(NC(=O)CCn2ccnc2C)c1
+,,,,,,,0.0,,0.0,,0.0,,,,,,CID850134,CCOc1cc(S(=O)(=O)Nc2ccccn2)ccc1F
+,,,,,,,,,,,,,0.0,,,,CID16187618,CC(C)N(CCO)C(=O)CCc1nnc(Cc2cccc(C(F)(F)F)c2)o1
+,,,,,,,,,,,,0.0,,,,,CID706865,CCn1c(=S)sc2c(=O)nc(C)[nH]c21
+,,,,,,0.0,,,,,,,,,0.0,,CID2997930,CCOC(=O)N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID3237593,CCCOc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3151556,O=C(Oc1ccc(OC(=O)N2CCCCC2)cc1)N1CCCCC1
+0.0,0.0,0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,CID2370234,Cc1cc(C)n(CCc2nc(-c3cccs3)cs2)n1
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID2325816,O=c1c2ccccc2sn1-c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1480507,COc1ccc(-c2nc(-c3ccccc3)nc(Cl)c2C#N)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID1129881,CCOC(=O)Nc1ccc2c(c1)N(C(=O)N(C)C)c1ccccc1CC2
+,,,,,,,,,0.0,,,,,,,,CID658074,Cc1sccc1C1C(C#N)=C(N)SC(N)=C1C#N
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID3243122,COc1ccc2nc3oc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)cc3cc2c1
+,,0.0,,,,0.0,,,,,,,,,,,CID663708,Cc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12
+0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,CID651028,CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID1828692,CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1897190,CCOc1ccc(N2CC(=O)N(c3ccc(OCC)cc3)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID862691,COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6289422,CC(C)(C)c1nnc(NN/C=C2\C=C(Br)C=CC2=O)n(N)c1=O
+,,,,,,,0.0,,,,,,,,,0.0,CID666373,COC(=O)COc1nsnc1N1CCOCC1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID3241289,COc1ccc(CNc2nc(SCC(=O)NCc3ccco3)nc3ccccc23)cc1
+,,,,,,,,,,,0.0,,,,,,CID705620,Cc1ccc(/N=C2\N=C(N)c3ccccc32)cc1C
+,,,,,0.0,,,,,,,,,,,,CID2888390,O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccco1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID2976902,Cc1cccc(NC(=O)C(C)Oc2ccccc2C)n1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2946020,O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,,,0.0,,,,,,,,,,,,CID579421,O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(F)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID3240196,CCOC(=O)C1=C(C)Nc2[nH]c(SCC)nc(=O)c2C1c1ccncc1
+,,,,,,,,,0.0,,,,,0.0,,,CID3232426,COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(c3nnnn3-c3ccccc3)CC2)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID2901686,Cc1cccc(OCc2n[nH]c(=S)o2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID722995,O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccco1
+,,,,,,,0.0,0.0,,,,,,,,,CID655809,CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1cccc2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID1259630,COc1nc(Nc2ccc(O)cc2)nc(OC(C(F)(F)F)C(F)(F)F)n1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID4348050,CCC1CCCCN1C(=O)CSc1nnc(-c2cccc(Cl)c2)o1
+,,,,,0.0,,,,,,0.0,,,,,,CID1385049,Cc1ccc(-c2nnc(Nc3ccc(CC(N)=O)cc3)c3ccccc23)cc1
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,,CID663772,CCc1nnc2c3cnn(-c4ccccc4)c3ncn12
+,,,,,0.0,,,,,,0.0,,,,,,CID4800302,CC(C)Cn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc21
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID975656,O=C(CSc1cccc2cccnc12)N1CCCC1
+0.0,,,,,,,0.0,,,,,,,,,,CID5309077,COc1ccccc1N1CCN(CC(O)c2ccc3cc[nH]c3c2)CC1
+,,,,,,,,0.0,,0.0,,0.0,,,,,CID2998975,Cc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1C(=O)NC(C)c1ccccc1
+,,,,,,0.0,,,,,,,,,0.0,,CID2932700,CCC(Oc1ccccc1)C(=O)Nc1nc2ccccc2[nH]1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2997591,O=c1cc(CN2CCc3ccccc32)nc2sccn12
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+,,,0.0,,,,,,,,,,,,,0.0,CID5390031,CCOC(=O)C1=C(C)N2C(=C(C#N)C1c1ccc(C(=O)OC)cc1)SCC2(O)C(C)(C)C
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+0.0,,,,,0.0,,,,,0.0,,0.0,,,,0.0,CID2368753,C=CCn1c(=O)c2ccccc2n2c(SCc3csc(-c4ccccc4)n3)nnc12
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+,,,,,,,,,,,,,,,0.0,,CID1304646,Nc1cc(N)nc(SCC(=O)Nc2ccc(Br)cc2Cl)n1
+,,,,,0.0,,,,,,,,,,,,CID1130973,Cc1ccccc1OCC(=O)Nc1sc(C(=O)Nc2cccc(C)c2C)c(C)c1C#N
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+,,,,,,,,,,0.0,,,,,,0.0,CID882373,Cc1ccc(C(=O)COC(=O)c2ccc(Br)o2)cc1C
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+,,,,,,,,,,,,,,0.0,,,CID1083882,COc1ccc(N(C(=O)Cn2nnc3ccccc32)C2(C(=O)NC3CCCC3)CCCCC2)cc1
+0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,,CID753150,Cc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
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+,,,,,,,0.0,,,,,,,,,,CID5280961,O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12
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+,,0.0,,0.0,,,0.0,,,,,,,,,,CID3236229,Cc1ccc(-n2c(=O)cc(N3CC(C)CC(C)C3)[nH]c2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1225174,CC(=O)Nc1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1
+,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID662264,CCCNC(=O)c1c(N)n(CC2CCCO2)c2nc3ccccc3nc12
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+,,,,,0.0,,,,,,,,,,,,CID1115399,O=C(OCCc1ccc(SC(=O)c2ccccc2)s1)c1ccccc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2998155,CCC1(c2ccc(F)cc2)NC(=O)N(CC(=O)N2CCOCC2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID951867,Cc1ccc(-n2c(-c3ccncc3)n[nH]c2=S)cc1C
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3242193,COC(=O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2
+,,,,,,,,,,,0.0,,,,,,CID774449,COc1ccc(OCC(=O)NNC(=O)c2cccnc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID998782,Cc1nn(CCC(=O)NNC(=S)Nc2ccc(F)cc2)c(C)c1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID1456436,COc1cccc(CNS(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1
+,,,,,,,,,,,0.0,,,,0.0,,CID1569640,CCc1nnc(SCc2ccc(CSc3nnc(CC)n3N)cc2)n1N
+,,,,,,,,,0.0,,,,,,,,CID3242587,CCOC(=O)N1CCN(C(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID850176,CCc1nnc2n1N=C(c1ccc(OC)cc1)CS2
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID982887,CCOC(=O)c1cnn(-c2nc(CC)nc3sc4c(c23)CCC4)c1N
+,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,,CID2351209,O=C(COC(=O)c1cnccn1)Nc1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,,,,,,,,,,CID1419711,COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3ccccc3Cl)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1895179,Cc1ccc(N2C(=O)/C(=C/c3cc(C)n(C)c3C)C(=O)NC2=S)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2569039,Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccccc2F)cc1
+0.0,,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,CID662233,CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccco1
+,,,,0.0,,,,,,,0.0,,,,,,CID3243737,CC(=O)Nc1cc(C(=O)O)ccc1S(=O)(=O)c1ccc(C)cc1
+0.0,,,,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0,CID645128,CCCCn1c(SCC(=O)N2CCOCC2)nnc1-c1cccs1
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID1090716,CC1(C)Cc2c(c(N3CCOCC3)nc3sc(C(=O)N4CCCCC4)c(N)c23)CO1
+,,,,,,,,,,,,,0.0,,,,CID972287,COc1ccc(Cl)cc1NC(=S)NNC(=O)c1cccs1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID979756,C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(N)=O)cc2)c(OC)c1
+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID1313816,O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2CCc2ccccc21
+,,,,,,,,,,0.0,,,,,,0.0,CID2125086,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccc(OC)cc3c2C)c1C
+,,,,,,,,,0.0,0.0,,,,,,,CID2964501,Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1
+,0.0,,,0.0,,0.0,,0.0,,,,,,,,0.0,CID2112640,C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1C1CCCCC1
+,,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID649692,O=C(Nc1ccc2c(c1)OCO2)C1CCCN1C(=O)Nc1cccc(F)c1
+,,,,,0.0,,,,,,,,,,,,CID5343036,CCOC1=C/C(=C/Nn2c(C)nnc2C)C=CC1=O
+,,,,0.0,,,,,,,,,,,,0.0,CID993362,Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCN(C(=O)c4ccco4)CC3)c2c1
+0.0,0.0,0.0,,,,,,0.0,,,,,,,,,CID893088,O=C(c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1471612,Clc1ccc(Oc2nc3ccccc3n3cccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2321602,O=S(=O)(NC1=NCCC1)c1ccc(F)cc1
+,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID2566868,CC(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1
+,,,,,,,,,,,,0.0,,,0.0,,CID3242692,COCCn1c(=O)[nH]c2cc(C(=O)OC)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID850367,COc1ccc(Nc2ccnc(Nc3ccc(OC)cc3)n2)cc1
+,,,,0.0,,,,,,,,,0.0,0.0,,,CID1357428,CCOC(=O)CSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3
+,,,,,,,0.0,,,,,,,,,0.0,CID3240866,Cc1ccccc1C(=O)c1cccn1CC(=O)NCC1CCCO1
+0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID1246987,COc1cc(OC)c(NC(=O)c2c(-c3ccccc3)noc2C)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID4106320,COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1
+0.0,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID659592,COc1ccc(OC)c(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2cccc(Cl)c2)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID5240918,COc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC3CCCO3)c2)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID3238165,O=C(CCSCc1ccccc1F)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3214676,O=S(=O)(NCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID5308827,CC(NC(=O)Cn1cc2c(n1)CCCCC2)c1ccccc1
+,,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,CID2997808,Cc1cc(C)n2nc(SC(C)C(=O)NCc3ccco3)nc2n1
+,,,,0.0,,,,,0.0,,,,,,,,CID3244457,CCOc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1091549,CCN1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
+,,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,0.0,CID648297,Cc1ccc(OCCn2c(CCCO)nc3ccccc32)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2865236,O=C1c2ccccc2C2=Nc3ccccc3SC(c3ccccc3F)C12
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID664043,Nc1nc(N2C(=O)C3CC=CCC3C2=O)nn1-c1ccccc1
+,,,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,CID2196101,CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1nc2ccccc2s1
+,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID648120,Cc1cccc(C)c1NC(=O)CSCCO
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID644695,CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1
+,,,,,,,,,,,0.0,,,,,,CID1299127,Cc1sc2ncnc(N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1C
+,,,,,,,0.0,,,,0.0,,,,,,CID3244651,Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2485092,COc1cc(C(=O)OCC(=O)NC(=O)C2CCCCC2)ccc1OC(F)F
+,,,0.0,,,,,,,,,,,,,0.0,CID849685,O=C(c1c(F)cccc1F)N1CCN(c2ccccc2F)CC1
+,,,,,,,,,0.0,,,,,,,0.0,CID2950562,COCCCNC(=O)C12CCC(C)(C(=O)C1)C2(C)C
+,,,,,,,,,,,,,0.0,,,,CID3807453,CC1CCCN(C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)C1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID3241801,C=CCn1c(NC(=O)c2ccc(C)cc2)c(C#N)sc1=N
+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID675057,CCN(CC)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID890591,Cc1ccc(CC(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,,0.0,,,CID2500491,NS(=O)(=O)c1ccc(CCNC(=O)CN2CCCCCC2)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID1818542,COc1cc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nc(OC)n1
+,,,,,,,,,,,,,,0.0,,,CID2122677,CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2Oc2ccccc2)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID2563593,O=C(CN1CCCCCC1=O)OCc1ncc(-c2ccccc2)o1
+,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,CID649036,N#CCCCSc1ncccc1-c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1246734,CCOC(=O)c1cc(NC(=O)c2cc(C)on2)cc(C(=O)OCC)c1
+,,,,,,,,,,,,,,0.0,,,CID4359309,O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccccc1C(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3841540,CC1CCC(C(C)C)C2=C1C(C#N)(C#N)C(C#N)(C#N)C(c1ccccc1)N2
+0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,CID1051956,O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCCC1
+,,,,,,,,,,,,,,,0.0,0.0,CID3242921,COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1ccc(Br)o1
+0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,CID650623,COc1ccc(CCNC(=O)c2c[nH]c3ccccc3c2=O)cc1OC
+0.0,,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID651524,COc1ccccc1N(CC(=O)N1CCCCC1)S(=O)(=O)c1ccccc1
+0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID891740,CCN1CCN(c2oc(-c3ccc(OC)cc3)nc2C#N)CC1
+,,,,,,,,,0.0,,,,,,,,CID2531231,CSCCC(NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1
+,0.0,,,,,,0.0,,,,,,,,,,CID5307578,CCCc1cc(C(=O)Nc2cccnc2)no1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID2973789,O=C(Nc1ccccc1Sc1ccccc1)C1CCCO1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID661689,CC1=C(c2ccc(Cl)cc2)[N+](=O)C(C)(C)N1[O-]
+,,0.0,,,,,,,,,,,,,,0.0,CID651435,COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1
+0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID655143,Cc1cccc2cc(C#N)c(SCC(=O)N3CCC(C)CC3)nc12
+,,,,,,,,0.0,,,,,,,,,CID758889,Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)c1
+,,,,,,,,,,,,,0.0,,,,CID880209,COc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID666728,COCCN(CCOC)Cc1cc(=O)oc2cc3c(cc12)CCC3
+,,,,0.0,,,,,0.0,,,,0.0,,0.0,,CID666207,Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
+,,,0.0,,,,,,,,,,,,,0.0,CID947805,O=c1c[n+]([O-])c2ccccc2n1OCc1c(F)cccc1F
+,,,,,,,,0.0,,,0.0,,,,,,CID785841,Brc1ccc(CN2CCSCC2)cc1
+,0.0,0.0,,0.0,,0.0,,,,,,,,,,,CID3000013,NC(=O)c1ccsc1NC(=O)COC(=O)C1CCCN1C(=O)c1cccs1
+,,,,,,,,,,0.0,0.0,,,,,,CID1482542,CC(C)(C)C(=O)c1cnc(Nc2ccccc2)s1
+,,,,,,,0.0,,,,,,,,0.0,,CID3237569,COc1ccc(C(C(C(=O)c2cccs2)N2CCOCC2)N2CCOCC2)cc1OC
+0.0,,,,,0.0,,,0.0,,0.0,,,,,,,CID2368598,O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,0.0,,,,,CID3242071,COC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N
+,0.0,,,,0.0,,,,,,,0.0,,,0.0,0.0,CID648671,CCC(=O)c1cc2c(cc1NC(=O)C(C)C)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID3545034,Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C)cc4)C3)no2)cc1
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID791564,CC(=O)Oc1ccc(C(=O)Nc2nccs2)cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1251215,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN(CC)CC
+,,0.0,,,,,,,,,,,,,,,CID6324557,CC1CCN(C(=O)C2=C/C(=C3/C=CC=CC3=O)ON2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2346696,Cc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)s1
+,,,,0.0,,,,,0.0,,,,,,,,CID3242004,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(C4CCCCC4)CC3)cc2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID675719,O=C(COc1ccc([N+](=O)[O-])cc1)NCCC1=CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID2337217,Cc1cc(-c2nnco2)c(C)n1-c1ccc(F)cc1
+,0.0,,,,,,,,,,,,,,,,CID655303,CC1CCC(NC(=O)CN2CCC(n3nnc4cc(F)ccc43)CC2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1089637,CCOC(=O)N1CCC2(CC1)C(C#N)=C(N)OC1=C2C(=O)CC(C)(C)C1
+0.0,,,,,,0.0,,,,,,,,,,,CID892182,CCOc1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1
+0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0,CID862103,O=C(Nc1ccccc1Oc1ccccc1)c1cnccn1
+0.0,,,,,,,,,,,,,,,0.0,,CID661549,CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CCN1CCC(C(=O)OCC)CC1
+,,,,,,,,,,,,,,0.0,,,CID3168140,Cc1ccc2[nH]c(=O)c(C3C(C#N)=C(N)Oc4c3ccc3cccnc43)cc2c1
+0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,CID940252,CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1Cl
+,,,,,,,,,,,0.0,,,0.0,,,CID831650,COc1ccc2nc(NC(=O)c3cc(C)oc3C)sc2c1
+,0.0,,,,,,,,,,,,,,0.0,,CID979449,CN(C)c1ccc(CNn2cnnc2SCc2ccccc2F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1792422,CC(C)C(=O)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3807916,COC(=O)c1sccc1NC(=O)CSc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,,CID654846,Cn1c(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21
+,,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,,CID650854,O=C(CSc1ncn[nH]1)OCN1C(=O)c2ccccc2C1=O
+,,,,,,,0.0,,,,,,,,,0.0,CID876790,O=C(Nc1cccc(F)c1)c1ccc2c(c1)OCO2
+,,,,,,0.0,,,,,,,,,,,CID3236249,CN(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
+0.0,0.0,,,0.0,0.0,,0.0,,,,,,0.0,,,,CID2248039,CCCOC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1
+,0.0,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID655760,Cc1ccc(C)c(NC(=O)Cn2nc(C)c3ccccc3c2=O)c1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID3240404,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1
+,,,0.0,0.0,,,,,,,0.0,,,,,,CID645000,Cc1nnc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)n2C)s1
+,,,,,0.0,,,,,,,,,,,,CID2230496,CC(C)(C)C(=O)NCCCc1ccccc1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID650767,CCN1C(=O)C2C(c3ccc(O)c(OC)c3)NC(C)(C(=O)OC)C2C1=O
+0.0,,,,,,,,,,,,,,,,0.0,CID5308205,Cn1c(C(=O)NCCCN2CCN(c3cccc(Cl)c3)CC2)cc2c(=O)n(C)c3ccccc3c21
+,,,0.0,,,,,,,,,,,,,,CID645270,O=C(Nc1ccc(F)cc1)C1CCN(c2nnnn2-c2ccccc2)CC1
+,0.0,,,,,,,,,,,,,,,,CID4429285,COC(=O)c1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16189001,COc1ccccc1CN1CCN(Cc2nc(-c3ccccc3)no2)CC1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID998049,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)n1
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID645324,COc1cc(OC)cc(C(=O)N2CCC(n3c(C)nc4cc(F)ccc43)CC2)c1
+,0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,CID957338,COc1ccccc1Cc1noc(-c2cc(Cl)ccc2OC)n1
+,,,,,,,,0.0,,,,,,,,,CID1913637,CCOC(=O)c1c(N)n(C2CC(C)(C)NC(C)(C)C2)c2nc3ccccc3nc12
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID655532,CCn1c(SCc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)nnc1-c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID1475075,O=c1ccn(Cc2cccs2)c(O)c1Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1689835,CC(=O)Oc1c(-c2ccco2)oc2ccccc2c1=O
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID646207,COc1ccc(CSc2nnc(C)n2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID3178115,CC(=O)c1ccc(N(C(=O)CS(=O)CC(=O)Nc2ccc(F)cc2)C(C(=O)NC2CCCCC2)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2949909,CCOc1ccc(NC(=O)CC2C(=O)N(C)C(=S)N2Cc2ccc3c(c2)OCO3)cc1
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,,CID685225,CN(C)c1ccc(C(=S)N2CCOCC2)cc1Br
+,,0.0,,,,,,,,,0.0,,,0.0,,,CID730293,COC(=O)c1nn(-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1O
+,0.0,,,,,0.0,,,,,,,0.0,,,,CID3243033,CCOCCCNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12
+,,,0.0,,,,,,,,0.0,,,,,,CID532819,Cc1cccc(NC(=O)c2cccnc2)c1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID2612492,Cc1nc(SCC(=O)Nc2cc(C)on2)c2c3c(sc2n1)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID1371695,CCc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1902314,CCOC(=O)c1c(NC(=O)c2ccco2)n(C2CCCCC2)c2nc3ccccc3nc12
+,,,0.0,,,0.0,,,,,,,,,,,CID664756,CSCCC(NC(=O)NCCC1=CCCCC1)C(=O)O
+0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,,,CID2532477,COc1ccc(NC(=O)CSc2nncs2)cc1OC
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID645242,Cc1nnc(NS(C)(=O)=O)s1
+,,,,,,,,,,,,,,0.0,,,CID3617623,CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(CCOC(c3ccccc3)c3ccccc3)CC2)s1
+0.0,,,,,,,,,,,,,,,0.0,,CID4621091,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Br)cc1
+0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,CID3240625,CCn1c(=O)cc(OCC(=O)NCCCN2CCC(C)CC2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2423682,COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1C
+,,,,,,,,,,0.0,,,,,,,CID1453281,Cc1sc2nc(CN(Cc3ccccc3)C(=O)NC3CCCCC3)[nH]c(=O)c2c1C
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID726058,O=C(CCNc1ccc(F)c(Cl)c1)c1ccco1
+,,,,,,,,0.0,,,,,,,,0.0,CID2250860,O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F
+,,,,,,0.0,0.0,,,,,,,,,,CID3245483,CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCc3ccccc3C1)cn2C
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+,,,,,,,,,,,,,0.0,0.0,,,CID2301685,O=S(=O)(ON(c1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1
+,0.0,,0.0,,,,,,,,,0.0,,0.0,,0.0,CID649679,CC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2886469,COc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2Cl)cc1OC
+,,,,,0.0,,,,,0.0,,,,,,,CID9551429,CCCCCn1c(=O)[nH]c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2c1=O
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+,,,,,,,,,,,,,0.0,,,,CID4997142,Cc1cc(C(=O)NNC2CC(=O)N(c3ccc4ccccc4c3)C2=O)c(C)o1
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+,,,,,,,,,,0.0,,,,,,,CID2949509,CCC(C)NS(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,CID664031,CC(Nc1nc(-c2ccccc2)nc2c1oc1ccccc12)C(=O)O
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+,,,,0.0,,,,0.0,,,,,,,,,CID3236954,CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2)s1
+,,,,,,0.0,,,,,,,,,,,CID3243683,O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)NCc1ccco1
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+0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID649202,Cc1ccc(NCc2nnc(SCC(=O)c3ccc4c(c3)OCCO4)o2)c(C)c1
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+0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,,CID651012,CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccco1
+0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,1.0,0.0,CID757292,CCOC(=O)c1cnn(-c2cccc(Cl)c2)c1N
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+,0.0,,,0.0,,,,,,,,,,,,,CID3245929,O=C(CSc1nnc(CNC(=O)c2ccco2)o1)c1ccc(Cl)cc1
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+,,,,,,,,0.0,,0.0,,,,,,,CID654311,CCN(c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1
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+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID752684,CNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
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+,,,,,,,,,,,0.0,,,,,0.0,CID975790,CC(=O)c1cc(F)c(N2CCN(C(=O)c3ccco3)CC2)cc1C
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+0.0,,,,,,,,,,,,0.0,,,,,CID1266345,Cc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3
+,,,,,,,,,,,,,,,0.0,,CID649410,COc1cc(NC(=O)c2ccccc2Cl)c(OC)cc1NC(=O)CN1CCOCC1
+,,,,,,,,,0.0,,,,,,,0.0,CID2960366,O=C1C2C(C(=O)N1Cc1ccco1)C1C=CC2C12CC2
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+,,0.0,,,,,,,,,,,,,,0.0,CID5307902,CCOC(=O)c1ccccc1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCC3
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+,,,,,,,,,,,0.0,,,,,,CID3212829,Cc1cccc(N2CCN(CC(=O)Nc3ccccc3[N+](=O)[O-])CC2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID2925603,CCC1=NN(C(=O)Cc2ccc([N+](=O)[O-])cc2)C(O)(C(C)(C)C)C1
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID646946,O=C(CN1C2CCC1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID4088302,O=C(OCCNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID986535,COC(=O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)cc1
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+,,,,,,,,0.0,,,,,,,,,CID801380,Cc1ccnc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1
+,,,,,,,,,,0.0,,,,,,0.0,CID2485525,Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)c(C)c1
+0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,CID3154399,CCCOc1ccc(N2CC(C(=O)Nc3ccccc3OC)CC2=O)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID661334,CN1c2ccccc2N(C)C1c1c(O)ccc2ccccc12
+,,,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID2998699,CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O
+0.0,,,,,,,0.0,,,,,,,,,,CID5309061,O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCN(C2CCCCC2)CC1
+,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID1266519,COCc1cc(C)nc(SCC(=O)Nc2cccc3cccnc23)c1C#N
+,,,,,,,,,0.0,,,,,,,,CID2060551,NC(=O)CSc1nnc(C2CC2)n1-c1ccccc1
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID2209493,CCCCC(=O)Nc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2274766,N#C/C(=C/c1ccc(N2CCOCC2)o1)c1ccc(Br)cc1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID877404,CC(C)COc1cc(=O)[nH]c(SCC(C)C)n1
+0.0,,,,,,0.0,,,,,,,,,,,CID2862668,CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ncccn1
+,,,,,0.0,,,,,,,,,,,,CID1966682,CN(C)CCn1c(=O)n(Cc2ccco2)c(=O)c2c3c(sc21)CCCCC3
+,,,,,,0.0,,,,,,,,,,,CID5263282,C=CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID1513957,COc1ccc(/C=N/NC(=O)c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-]
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID754150,N#Cc1c(N)nc2c(c1-c1ccccc1)CCCC2
+,0.0,,,,,0.0,,,,,,,,,,,CID973752,CC(C)(C)C(=O)c1sc(Nc2ccccc2)nc1N
+0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,,CID3239996,CC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC(C)CC2)c1C
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1263335,Cc1cc(S(=O)(=O)Nc2ccc(N(C)C)cc2)c(C)s1
+,,,,,,,,,,,,,0.0,,,,CID999054,Cc1ccc(-n2c(Cn3nc(C(F)F)cc3C(F)F)n[nH]c2=S)cc1
+0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,CID652482,CCc1c(C)nc(N)n2c(SCC(=O)N3CCC(C)CC3)nnc12
+,,,,,,,,,,,,,,0.0,,,CID1074727,COc1ccc(OCC(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245278,O=C(Nc1c(F)cc(F)cc1Br)c1cc(-c2ccco2)on1
+,,,,,,,,,0.0,,,,,,,,CID9340,Clc1ccc(C(c2ccccc2)N2CCNCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1093514,O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1ccccc1Cl
+0.0,,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,CID647483,O=C(CN1CCCC1)Nc1ccc(Oc2ccc(NC(=O)CN3CCCC3)cc2)cc1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID1871728,Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)o1
+,,0.0,,,,,0.0,,,,,,,,,,CID3240906,CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1
+,,,,0.0,,0.0,,,,,,,,,,,CID3245320,CC(=O)c1cc2c(O)c(O)ccc2o1
+,,,,,,,,,,,0.0,,,,,,CID4549322,COc1c(F)c(F)c(C(=O)O)c(Nc2ccc(C)cc2)c1F
+0.0,,,,,,,,,,,,,,,,,CID2998041,CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(CN3CCCCCC3=O)n2-c2ccccn2)c1C
+0.0,,,,,,,,,,,,0.0,,,,,CID662693,Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C
+,,,,,,,0.0,,,,,,,,,,CID645288,O=C(O)c1cc2ccc3ccccc3c2[nH]1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID666970,Fc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID910055,COn1c(-c2ccccc2)nc2c1CCc1c-2no[n+]1[O-]
+,,,,,,,,,,,,,,0.0,,,CID1202271,Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccc(Cl)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1477398,Cc1ccc(Sc2ncnc3onc(C)c23)cc1
+,,,,,,,,0.0,,,,,,,,,CID2184980,C=CCN1C(=O)/C(=C\c2cccs2)C(C(=O)OC)=C1C
+,,,,,,,,,,,,,,0.0,,,CID2294567,CC(=O)Nc1cc(Cl)ccc1OS(=O)(=O)c1ccc(C)cc1
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID3235844,CCOC(=O)CSc1nc(-c2ccc(OC)cc2)ns1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,,CID3238458,CCc1nn(C(C)C(=O)Nc2cccc(C)c2C)c(=O)c2cc3occc3n12
+,,,,,,,,,0.0,,,,,,,,CID2931490,CC(NC(=O)C1CCCO1)c1ccccc1
+,,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,CID702932,CCOC(=O)Cc1csc(NC(=O)c2cccs2)n1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID3244280,Cc1ccc(Cl)cc1NC(=O)c1ocnc1C
+,,,,,0.0,,,,,0.0,,,,,,,CID5307920,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)N4CCc5ccccc5C4)C3)ccc21
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID644894,COC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2nc3c(s2)CCCC3)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID2293911,CC(C)CC(=O)NC(=S)NCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9551454,COc1cc2[nH]c(=O)n(CCCCCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC
+,,,,,,,,,,,0.0,,,,,,CID535815,CCN(CC)c1c([N+](=O)[O-])ncn1C
+,,,,,,,,,,,,,0.0,,,,CID2190037,COCCNS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,CID662382,CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1cccs1
+,,,,,0.0,,,,,,,,,0.0,,,CID9550616,COCCCNC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O
+0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID660816,COc1ccccc1-c1n[nH]c(=S)n1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4094700,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1OC
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID659119,CC1(C)CC(=O)C(=CNCC(O)c2ccccc2)C(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID1175837,CCOc1cc(NC(=S)NCc2ccco2)c(OCC)cc1NC(=O)CC
+,,,,,,,,,,,0.0,,,,,,CID969076,CCC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID982954,COc1ccc(-c2csc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1933321,COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2cccnc2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID804090,CC1(C)C=C(c2ccc(C=O)s2)CC(C)(C)N1C=O
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,CID760990,CSc1nc(-c2ccccc2)nc(N2CCN(C)CC2)c1C(C)=O
+0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID649112,O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1ccco1
+,,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID977882,O=C(NC1=NCCS1)c1cccc(NC(=O)c2ccco2)c1
+,,,,,,,,,0.0,,,,,,,,CID6324574,O=C(c1ccccc1Cl)N1CCC(c2nc3n(Cc4ccco4)[nH]nc-3c(=O)n2)CC1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3243048,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+0.0,,0.0,0.0,,,,,0.0,,,,,,,,0.0,CID3000096,COc1ccc(OCCN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID5310551,O=S(=O)(NCCc1cn2ccccc2n1)c1ccc(F)c(C(F)(F)F)c1
+,,,,,,,0.0,,,,,,,,,,CID6398926,CCCCCCN1C(=O)/C(=C2/NC(=O)c3ccccc3N2)C(=O)c2ccccc21
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID874211,Cc1cccc(N2CCN(S(C)(=O)=O)CC2)c1C
+,,,,,0.0,,,,0.0,,,,,,,,CID1236439,CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)cc1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,,CID4668146,COc1ccc(NC(=O)N(Cc2ccc(C)cc2)Cc2ccccn2)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID1003016,C=CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID2107464,Cc1csc(NC(=O)c2nc3nc(C)cc(C)n3n2)n1
+,,,,,,,,,0.0,0.0,,,,,,,CID3122912,C=CCSc1nc2sc(C)c(C)c2c(=O)n1CC=C
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID3245788,CCn1c(=O)cc(SCC(=O)Nc2cccnc2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3344532,COc1ccc(-n2nc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3c2=O)c(OC)c1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID654960,CCc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccccn1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID4228694,Cc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)o1
+,,,,,0.0,,,,,,,,,,,,CID2450699,O=C(COc1cccc2ccccc12)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,0.0,,0.0,,,,,0.0,0.0,0.0,0.0,,,,,CID2947994,COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nccs2)cc1
+0.0,,,,,,,,,0.0,,0.0,,,,,,CID695758,Clc1ccc(-c2nc(-c3ccccn3)no2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID3838161,Cc1cc(C)n(-c2nc(SCCN(C)C)c3c4c(sc3n2)CCCC4)n1
+,,,,,,,0.0,,,,,,,,,,CID5307946,Cc1cc(C)cc(N(CC(=O)N2CCN(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1
+,,,,0.0,,,,,,,,0.0,,,,,CID646200,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1-n1cnnn1
+,,,,,,,,,,,,,0.0,,,,CID1601742,CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1
+,,,,,,,0.0,,,,,,,,,,CID5308419,CCN1C(=O)c2ccccc2S(=O)c2ccc(C(=O)NC3CC3)cc21
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2092218,Cc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cc(C)oc3C)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID936528,Cc1nn2c(C)c(C(=O)Nc3ccccc3)cnc2c1C#N
+,,0.0,0.0,,,,,,,,,,0.0,,0.0,0.0,CID3715,COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1
+0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,CID828217,Cc1c(NC(=O)C2(C)CCCCC2)c(=O)n(-c2ccccc2)n1C
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+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID3245959,O=C(NC1CCCC1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2449887,CCN(CC(=O)Nc1ccccc1OC)C(=O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID9551079,Cc1cccc(N2CCN(C(=O)C(NS(=O)(=O)c3cccs3)c3ccccc3)CC2)c1C
+,,,,,,,,,,,,,0.0,,,,CID1130887,Cc1cccc(C(=O)Nc2sc(C(=O)N3CCCC3)c(C)c2C#N)c1
+,,,,,,,,,0.0,,,,,,,,CID3497769,Cc1ccc(-c2nc3ncccn3c2NC2CCCCC2)o1
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,CID3241269,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)c(=O)[nH]c4c3)CC2)c1
+,,,,,,,,0.0,,,,,,,,,CID2836278,O=S(=O)(NCC1OCCc2ccccc21)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID5717501,COc1cc(/C=C/C(=O)c2c(O)oc(C)cc2=O)cc(OC)c1O
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+,,,,,0.0,,,,,,,,,,,,CID5202335,COC(=O)CC1C(=O)NCCN1C(=O)CSc1nnc(Nc2ccc(C)cc2)s1
+,,,,0.0,,,,,,,,,,,,,CID2052987,NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID5309084,COc1ccccc1NC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,0.0,0.0,,0.0,,,0.0,,,CID3155134,CCN(CC)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
+,,,0.0,,,,0.0,0.0,,,,,,,1.0,,CID1984462,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1S(=O)(=O)NCCO
+0.0,,,,,,,,,,,,,,,0.0,,CID4644361,CCOC(=O)C1C(C)N=C2SCC(=O)N2C1c1cccc(Br)c1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID666759,CCCc1cc(N2CCCC2)n2nc(C)c(-c3ccccc3)c2n1
+,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,CID542857,CCS(=O)(=O)Nc1ccc(Cc2ccncc2)cc1
+,,,0.0,0.0,,,,0.0,,,,,0.0,,,,CID2218667,COCCSc1nnc(NC(=O)CSCc2ccccc2)s1
+,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,CID656097,NC(=O)CSc1nnc(CNc2cccc(Cl)c2)n1CCc1ccccc1
+,,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID1247208,Cc1c(C(=O)NCc2cccs2)oc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID3115322,Cc1cccc(C)c1NC(=O)C(NC(=O)c1ccccn1)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID2318091,Cc1ccc(C)n1-c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,0.0,,,0.0,,0.0,,,,,,,,0.0,0.0,CID3243300,CCC(C)NC(=O)CC(c1ccc(OC)cc1)n1cccc1
+,,,,,,,,,,,,,,0.0,0.0,,CID973637,CCn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID839358,COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1OC
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID2999677,O=C(COC(=O)CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,0.0,,,,,,CID2967902,COc1ccc(C(=O)NC(C)c2nnc(SCC(=O)Nc3nc(C)cs3)n2C)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2379432,CCCCn1c(N)c(Sc2ccccc2)c(=O)[nH]c1=O
+,,,,,,,,0.0,,,,,,,,,CID1019166,CC(C)CNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,,,,,,0.0,,,,,0.0,,,,CID2936337,COCCn1c(-c2ccc(OC)cc2)nc2ccccc21
+,0.0,0.0,,0.0,,0.0,,,,,,,,,,,CID647655,NC(=O)c1c(NC(=O)CN2CCCC2)sc2c1CCCC2
+,,,,,,,,,,,,,,,0.0,,CID5301543,CCCC1=C(C(=O)OCC)C(c2ccc(F)cc2)N2NC=NC2=N1
+,,,,,,,,,,,,,,0.0,,,CID3325349,COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID86307,CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1ccccc1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID650162,CC(C)CCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID661120,CC1(C)CC(n2[nH]c(=O)c3c2NC(=O)CSC3c2ccccc2)CCO1
+,,,,,0.0,,,,,,,,,,,,CID4891533,COc1ccc(N2CSC3=C(C#N)C(c4ccc(OC)c(OC)c4)CC(=O)N3C2)c(OC)c1
+,,0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,CID356261,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(NC(C)=O)cc1
+0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,CID654371,Cc1nc2cc(N3CCOCC3)c(NC(=O)C3CC3)cc2c(=O)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4672662,Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1C
+,,,,,,,,,,0.0,,,,,,,CID2544913,Nc1cc(N)nc(SCC(=O)Nc2ccc3c(c2)OCCCO3)n1
+,,,,,,,,,,,,,,0.0,,,CID3131849,O=NN(CCc1ccncc1)c1ccc(OCc2ccccc2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5309671,Cc1cc(NC(=O)C2=CC3=NC(c4ccco4)CC(C(F)(F)F)N3N2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID3793571,COc1ccc(N2C(=O)CSC(c3ccccc3)C2=O)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID2383068,Nc1nc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2168588,CCOc1cc(/C=C/C(=O)O)ccc1OCCO
+,0.0,,0.0,,0.0,,,,,,,,,,0.0,,CID3583939,CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCC(=O)Nc1nnc(C)s1
+,,,,,,,,,0.0,,,,0.0,,,,CID2467706,Cc1ccc(C(=O)Nc2ccc3nc(C)sc3c2)s1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID3241645,CCn1c(=O)cc(OCC(=O)Nc2ccc(Cl)cn2)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID9551355,CC1CCCCN1c1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)s1
+,,,,,0.0,,,,,,,,,,,,CID3404071,CN1CC(c2ccccn2)C2(SC(=S)N(Cc3ccccc3)C2=O)C12C(=O)Nc1ccccc12
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID2336986,Cc1ccc(C)c(SCC(=O)OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID754748,Cc1cc(-c2ccccc2)n2nc(C)c(-c3ccccc3)c2n1
+,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,CID2594362,O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(-c2ccccc2)o1
+,,,,,,,,,,,,,,0.0,,,CID950392,NC(=O)CSc1nnc(SCc2ccc(F)cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID2348300,COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID818475,Cc1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
+,,,,,,,0.0,,,,,,,,,,CID6324610,CCOC(=O)C12CC1/C(=N/O)c1ccccc1O2
+,,,,0.0,0.0,0.0,0.0,,,,,,,,,,CID3237863,CCCCN(C)CCCNC(=O)c1ccc(N2CCCC2=O)cc1
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID9551544,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)N1CCc2ccccc21)c1ccc(C(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2507500,Cc1nnc(SCC(=O)Nc2ccccc2C(=O)NC2CC2)s1
+,,,,,0.0,,,,,,,,,,,,CID1043136,COc1ccccc1N1CCN(S(=O)(=O)c2ccc(SC)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1386650,O=C(O)CCC(=O)N1CCN(c2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)CC1
+,,,,,,,,,,,,,0.0,,,,CID696875,Cc1cc(=O)oc2c1c(C)nn2-c1ccc(Cl)cc1
+,,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID990927,Cc1ccccc1NS(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1720467,O=C(N/N=C/c1ccc2c(c1)OCO2)C(=O)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID3875195,CCCCN1C(=O)/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID3193436,COCCn1nnnc1C(c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID651688,CCOC(=O)C1=C(N)n2c(s/c(=C\c3cccs3)c2=O)=C(C(=O)OCC)C1c1cccs1
+,0.0,,0.0,,,,,,,,,,,,,,CID3235995,CCN(C)c1ccc(/C=N/n2nnnc2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID2467360,O=C(CSc1nnc(-c2ccc(OC(F)F)cc2)o1)NCc1cccs1
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID2953184,Cc1ccccc1NC(=O)C1Cc2ccccc2C(=O)O1
+,,0.0,,,,,,,,,,,,,,,CID2941837,CC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1
+,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,CID3127949,CCOC(=O)c1c(NS(C)(=O)=O)sc2c1CCC(C)C2
+0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID3000040,Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)NC1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2930673,O=C(O)C1C2C=CC(O2)C1C(=O)NCCc1cccc(Cl)c1
+0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,,0.0,CID3236593,Cc1noc(C)c1S(=O)(=O)N1CCC(Cc2ccccc2)CC1
+,0.0,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,CID2904821,CCOC(=O)C1CCCN(C(=O)c2c(-c3ccccc3Cl)noc2C)C1
+,,,,,,,,,,,,,0.0,,,,CID1959989,CC1(C)Cc2c(sc3ncnc(NNC(=S)NCc4ccccc4)c23)CO1
+,,0.0,0.0,,,0.0,0.0,,,0.0,,,,0.0,0.0,,CID695625,c1ccc(-c2onc3cc4c(cc23)OCCO4)cc1
+,,,,,,,,,,,,0.0,,,,,CID660681,CC(C)/N=C(\NC#N)SCC(=O)NC(C)(C)C
+,,,,,,0.0,,,,,,0.0,,0.0,0.0,,CID663262,COc1ccccc1-c1nnc2n1N=C(C)CS2
+0.0,0.0,,,,,,,,,,,,,,,,CID5308987,O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2491783,O=C(OCn1nnc2ccccc2c1=O)c1cc(-c2ccccc2)nc2ccccc12
+,,,,,0.0,,,,,,0.0,,,,,,CID1096812,Cc1ccc(-c2cnc(NC(=O)CCC(=O)N(C)Cc3ccccc3)n2C)cc1
+,,,,,,,,,,,,,,,0.0,,CID663653,CCC(C)C(NC(=O)Nc1cccc(OC)c1)C(=O)OC
+,,,,,0.0,,,,,,,,,,,,CID3842595,CNC(=O)C1CC(=O)N=C(N/N=C(\C)c2cccs2)S1
+0.0,,,,,,,0.0,,,,,,,,,,CID767035,CCn1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID719986,FC(F)(F)c1cc(-c2ccccc2)nc2ncnn12
+,,,,,,,,,,,,,,0.0,,,CID5048787,S=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)Nc1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,,CID5389746,CC(NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID675325,Cc1cccc(NC(=O)c2ccc3nsnc3c2)c1C
+,,,,,,0.0,,0.0,,,0.0,0.0,,,,,CID652581,CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2111934,COCCOc1ccc(C(F)(F)F)cc1Nc1nc2ccccc2o1
+,,,,,0.0,,,,,,,,,,,,CID5342396,O=C(/C=C/c1ccc(NC(=O)c2cccs2)cc1)c1ccco1
+,,,,,0.0,0.0,,0.0,,,,0.0,,,,,CID645423,CCN(CC)c1ccc2cc(C(=O)Nc3cccnc3N3CCOCC3)c(=O)oc2c1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,,CID660761,Cc1cc(C)cc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)cnc32)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID2236635,O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc2ccccc2o1
+0.0,,,,0.0,,,,,,,0.0,,0.0,,,0.0,CID661600,COc1ccc2[nH]c(C)c(C(=O)CN3CC(C)OC(C)C3)c2c1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID314836,c1ccc(-c2n[nH]c(-c3ccccn3)n2)nc1
+,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,CID3235649,O=C(O)c1ccc(CN2C(=O)CSC2=S)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID4569772,Oc1c(C(c2cccs2)N2CCN(c3ccccc3)CC2)sc2ncnn12
+,,,,,,,0.0,,,,,,,,,,CID651193,O=C(NCC1CCCO1)c1cccnc1Nc1ccccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID766246,O=Cc1c(Cl)[nH]c(=O)n1-c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2278032,O=C(Cc1ccccc1)NCCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2214914,CCCCOc1ccc(-c2nc(=S)[nH][nH]2)cc1
+0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID655092,CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cccc(OC)c1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID659755,CC(C(N)=O)N1CC(c2ccccc2)CC1=O
+,,,,,,,,,,,,,,0.0,,,CID16191093,O=C(CCc1nnc(COc2ccccc2)o1)NCc1ccc(Cl)s1
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID5309338,CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
+0.0,0.0,,,,,,0.0,0.0,,,,,,,,0.0,CID650170,CCCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1314526,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID15945488,Cc1ccc(CSc2nc3ccncc3n2CC(=O)Nc2cc(C)cc(C)c2)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID5308941,CCOC(=O)N1CCC(NC(=O)c2ccc(CS(=O)(=O)c3ccc(OC)cc3)o2)CC1
+,,0.0,,,,,,,,,,,,,,,CID5389707,Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccco2)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,CID1091697,CC(=O)Cc1nsc(NC(=O)c2ccc(-c3ccccc3Cl)o2)n1
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID1161055,O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(Br)o1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID661530,N#CCCN(CCC#N)c1nnc(-c2ccccc2)s1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID666575,O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccnc1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID2950594,Cc1ccc(C2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN(C)C)o1
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+,,,,0.0,,,,,,,,0.0,,,,,CID2945485,CC1CCc2nc(NC(=O)CN3CCN(Cc4ccc5c(c4)OCO5)CC3)sc2C1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID877226,Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)n1
+,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,CID666137,O=C(COc1ccccc1)N(Cc1cc2ccccc2[nH]c1=O)CC1CCCO1
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+,,,,,,,,,0.0,,,,,,,,CID769203,COCc1nnc(NC(=O)CC(C)C)s1
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+,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID3238349,CCS(=O)(=O)N1CCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)CC1
+0.0,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,0.0,CID646857,CCOC(=O)c1c(NC(=O)CSc2nc3cccnc3n2C)sc(C(C)=O)c1C
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+,,,0.0,,,,,,,,,,,,,,CID5739695,COC1=C/C(=C(\S)N2CCCC2)C=C(Cl)C1=O
+,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,CID2877493,O=C(Nc1cnc2ccccc2c1)C1COc2ccccc2O1
+,,,,,,,,,,,,,,0.0,,,CID16189760,Cc1ccccc1/N=C1\c2ccccc2C(=O)C1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID2215724,COc1ccc(S(=O)(=O)N(C)CC(=O)NCCC2=CCCCC2)cc1C
+,,,,,,,,,,,,,,,,0.0,CID2941650,O=C(NCC1CCCO1)c1ccc(COCC(F)(F)C(F)F)cc1
+,,,,,,,,,,,0.0,0.0,,,0.0,0.0,CID2059429,COc1ccc2c(c1)c1ccccc1n2C
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID3163256,Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)O
+,,,,,,,,,,,,,0.0,,,,CID704436,O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID12005470,Cc1ccc(N(Cc2ccc(C(=O)NN=C3CCN(C)CC3)cc2)S(C)(=O)=O)cc1C
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID3246798,C=CCOc1ccccc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID16188635,Cc1cccc(OC2CCN(Cc3nc(CC4CC4)no3)CC2)c1
+,,,,0.0,0.0,0.0,,,,0.0,,,,,,,CID886031,COc1cccc(/C=C2\N=C(SC)SC2=O)c1OC
+,,,,,,,,,0.0,,,,,,,,CID2464330,CC(C)c1nnc(SCC(=O)NCCC2=CCCCC2)n1N
+,,,,,,,,,,,,,0.0,,,,CID2339852,O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ncc(Cl)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1599521,CC(=O)/C(=N\Nc1ccc(Cl)cc1)Sc1nnc(-c2ccccc2)n1-c1ccccc1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,CID3242290,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCC4)cc2)CC1
+,0.0,,,,,,0.0,0.0,,0.0,,,,,,,CID979768,CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1
+,,,0.0,,,,,,,,,,,,,,CID5310132,COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)cc1
+,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,,CID891301,CCCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID660055,CN1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(Br)cc3)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4881042,CCn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID2917103,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID12005643,CCOC(=O)C(C)(C)N(Cc1cccc(C)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1
+,,0.0,,,,,,,,,,,,,,,CID5721689,COc1ccccc1/C=C/CN1CC(C)OC(C)C1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,,CID2249348,COc1ccccc1OCCCCCNCCO
+,,,,,,,,,,,,,0.0,,,,CID2223390,Cc1cc(N(CC(=O)NC(C)C)S(C)(=O)=O)ccc1Br
+0.0,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID663891,COc1ccc(N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)cc1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID1082933,O=C(COc1ccc(S(=O)(=O)N2CCCC2)cc1)NCCC1=CCCCC1
+0.0,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,CID666915,O=c1c2ccccc2sc2nc(C3CCCCC3)n(Cc3ccco3)c(=O)c12
+0.0,,,,,,,,,,,,,,,,0.0,CID5338106,CCCCCN1C(=O)/C(=C2/NC(=O)c3ccccc3N2)C(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4916306,Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1Cl
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,,CID2928538,OCC#CCSc1nnc(-c2ccc(Br)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID3211717,O=C(NCC(=O)N(Cc1cccs1)C(C(=O)NC1CCCCC1)c1ccco1)c1ccco1
+,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID2859403,Cn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,,CID649748,Cc1ccc(-c2nnn(CC(=O)NCC3COCCO3)n2)o1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,CID2973666,CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)on2)C1
+,,,0.0,,,,0.0,,,,,,,,,,CID4150639,CC(C)N(Cc1ccccc1)C(=O)c1cnc2n(c1=O)CCS2
+,,,,,,,,,0.0,,,,,,,,CID777010,CC(=O)c1sc2nc(-c3cccs3)ccc2c1N
+,,,,,,,,,,0.0,,,,,,,CID2187768,NC(=O)c1ccccc1N/C=C/C(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1504001,c1ccc(-c2cc(N3CCCCC3)c3ccccc3n2)cc1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID667103,Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccccc2)n1
+,,,,,0.0,,,,,,,,,0.0,,,CID1633230,CN1/C(=C/C(=O)c2cccs2)Sc2ccccc21
+0.0,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID2279282,O=C(c1ccc(CN2CCOCC2)cc1)N1CCN(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2966435,CCn1c(COc2cc(C)cc(C)c2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID2479862,COc1ccccc1-n1cnnc1SCC(=O)NCc1cccs1
+0.0,,,,,,0.0,,,,,,,,,,,CID3241237,CCN(CC)c1ncnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c12
+,,,0.0,,,,,,0.0,,,,,,,,CID714429,CCOC(=O)CSc1nc2nc(C)cc(C)n2n1
+0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,CID1088389,COc1cccc(OC)c1C(=O)Nc1ccc(CN2CCCCC2)cc1
+,,,,,,,,,,,,0.0,,0.0,,,CID2928885,CC1CN(c2nnnn2-c2ccccc2)CC(C)O1
+,,,,,,,,,,,,,0.0,,,,CID2842296,COc1ccc(/C=N/Nc2ncccc2[N+](=O)[O-])c(OC)c1
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID661764,CC(=O)N1CCN(c2nc(CC(C)C)c3c(c2C#N)CCC3)CC1
+,,,,,0.0,,,,,,,,,,,,CID1184841,COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)ncn1
+,,,,,,,,,,,,,0.0,,,,CID2548577,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID4263434,COc1ccc(OCCN2C(=O)NC3(CCc4ccccc4C3)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID722463,Cc1ccc(S(=O)(=O)N/N=C/c2cn(C)nc2C)cc1
+,,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID3238668,Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3cccnc3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID4440926,Cc1c(C(=O)Nc2ccc3c(c2)OCO3)sc2ncn(CC(=O)N3CC(C)CC(C)C3)c(=O)c12
+,,,,,,,,0.0,,,0.0,,,,,,CID892663,COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3C)c12
+,,,,,,,,,,,0.0,,,,,,CID2897332,O=[N+]([O-])c1ccc(NC(=S)N2CCN(c3ccc(F)cc3)CC2)cc1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID1260326,C=CCn1c(-c2ccc(OC)c(OC)c2)cs/c1=N\c1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID1590574,CCN(CC)c1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID1081777,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccco3)CC2)cc1
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+,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID3000113,CCC1(c2cccc(Cl)c2)NC(=O)N(Cc2cc(C(=O)OC)c(C)o2)C1=O
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+,0.0,,,0.0,,,,,0.0,,,,,,,,CID664737,CCn1c(=N)c(S(=O)(=O)c2ccc(F)cc2)cc2c(=O)n3ccccc3nc21
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+,0.0,,0.0,0.0,,,0.0,,,,,,,,,,CID943655,O=C(Nc1ccccc1O)c1ccccc1O
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+,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID2997726,CCN(CC(=O)NC1CCS(=O)(=O)C1)c1nc(-c2ccccc2)nc2ccccc12
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+,,,,,,,,,,,,,,,,0.0,CID1834793,N#C/C(=C\c1c(N2CCOCC2)nc2ccccn2c1=O)S(=O)(=O)c1ccccc1
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+,,,0.0,,,,,,,,,0.0,0.0,,,0.0,CID893275,CS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1
+,,,,,,0.0,,,,,,,,,,,CID5310906,COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O
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+,,,,,,,,,,,,,0.0,,,,CID759461,Cc1nc2cc(Cl)c([N+](=O)[O-])cc2s1
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+,,,,0.0,,,,,,,,,,,0.0,,CID3244029,CCC1(C)Cc2c(C#N)c(N)n(-c3ccccc3)c(=O)c2CO1
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+,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,0.0,,CID746024,CC(=O)Nn1cc2c(=O)n(C)c(=O)n(C)c2c1
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+,0.0,,,,,0.0,,,,,,,,,,,CID2209390,COc1cccc(NC(=O)Nc2cc(C)ccc2F)c1
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+,,,,,,,,,,,0.0,,,0.0,,,CID1139867,O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(Cl)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID790083,COc1ccccc1-c1nc(-c2ccc(Br)cc2)no1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID665480,CCC(C)C(NC(=O)OC(C)(C)C)c1nnc(S(=O)(=O)Cc2cccc(C)c2)o1
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+,0.0,,,,,,,,,,,,,0.0,,,CID2194000,CCCn1nnc(NC(=O)c2ccc(OCC)c(Cl)c2)n1
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+,,,,,,,,,,,0.0,,,,,,CID864315,Cc1nnc(SCC(N)=O)n1CCc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2907452,NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID890055,CC(C)c1nnc(NC(=O)c2sc3ccccc3c2Cl)s1
+,0.0,,,,,,,,,,,,,,,,CID3235964,CC(C)(C)n1nc2c(c1NC(=O)c1ccco1)CS(=O)C2
+,,,,,,,,,0.0,,,,,,,,CID2999063,O=C(Nc1ncnc2c1ncn2C1OC(COC(=O)c2ccccc2)C(F)C1O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID15945562,Cc1ccc(N(C)C(=O)c2ccc3c(Cl)c4c(nc3c2)CCC4)cc1C
+,,,,,,,,,,0.0,,,,,,,CID731871,CCOc1ccccc1OCC(=O)NC1CCCCC1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307434,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(N)=O
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID658556,c1ccc2c(c1)[nH]c1c(N3CCN(C4CCCCC4)CC3)ncnc12
+,,,,0.0,,0.0,,,,,,,,,,,CID3240849,COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(CC(=O)Nc2ccccc2Cl)CC1
+,,,0.0,,,,,,,,0.0,,,,,,CID651692,COc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID541218,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID894934,CCOC(=O)N1CCN(C(=O)Cc2ccc(C)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID3151809,CC1(C)C(c2ccccc2)=[N+]([O-])C2(CCCCC2=O)N1O
+,,,,,,,,,,,,,0.0,,,,CID975892,O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5461561,CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1
+,0.0,,0.0,,,,,,0.0,,,,0.0,,,,CID866380,Nc1c(C(=O)N2CCOCC2)sc(=S)n1-c1ccccc1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID650612,CCCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID716780,Cc1ccc(-c2nc3ccccc3c(=O)n2-c2cc(C)ccn2)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID2834767,CCCC(=O)C1=C(SCC)CC(C)(C)C(C(=O)OC)C1=O
+,,,,,,,,,,,,0.0,,,0.0,,CID883703,Cc1ccccc1-c1nc(Cc2ccc(Cl)cc2)no1
+,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID661882,C=CCn1c(N)c(C(=O)OC(C)(C)C)c2nc3ccccc3nc21
+,,,,,,,,,,,0.0,,,,,,CID2954491,CCC(C)c1ccc(NC(=S)Nc2ccc(OC)c(OC)c2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3238532,COCCn1c(=S)[nH]c2cc(C(=O)N3CCc4ccccc43)ccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID3210068,c1ccc(C(c2nnnn2Cc2ccco2)N2CCN(c3nc4ccccc4s3)CC2)cc1
+,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,,CID649277,CCCOc1cccc(C(=O)Nc2nnn(CCC)n2)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID781454,c1ccc(Oc2ccc(-n3cnnn3)cc2)cc1
+0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,,CID544877,O=C(NCc1ccccc1)NC1CCCCC1
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID3000026,Cc1cc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2C)n(-c2ccc(Cl)cc2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID760740,CC(=C/c1ccccc1)/C=N/n1cnnc1
+,0.0,,,,,,,,,,,,,,,,CID4123400,O=C(CN1C(=O)CCC1=O)Nc1nc(-c2ccccn2)cs1
+,,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID2982047,CCC(=O)c1ccc(OCC(O)CN2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID5307360,COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccc4c(c3)OCO4)c(C)o2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2999127,Cc1ccccc1-n1c(SCc2c(C)noc2C)nnc1-c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID4646737,O=C(NN=C1CCN(Cc2ccccc2)CC1)C(O)c1ccccc1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID5307785,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID642371,O=C1O/C(=C\c2ccccc2)c2ccccc21
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID784440,Cc1ccc(CNc2ccc3c(c2)OCO3)c(C)c1
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID648194,CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NC1CCCC1)c1ccco1
+,,,,,,,,,,,,,,,,0.0,CID647982,O=C(Nc1ccc(OC(F)(F)F)cc1)C1=NCCN1
+,,,,,,,,,,,,,0.0,,,,CID1325865,O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID1554807,CCOCCOC(=O)CCSc1n[nH]c(=O)[nH]c1=O
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,,CID604603,N#CC1=C(N)Oc2cc(O)ccc2C1c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID3235764,O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCc2ccccc21
+,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,CID651181,COc1ccc(CN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)C(C)(C)C)cc1
+0.0,,,,,,,,,,,,,,,,,CID846096,[O-][n+]1c2ccc3nonc3c2nn1-c1ccccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID9551319,CCOc1ccc(CNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2768948,CCCCSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
+,,,,,,,,,,0.0,,,,,,,CID2156039,Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c([nH]c4ccccc43)c2=O)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID2956424,COC(=O)NC1CSCC1OC(=O)c1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID3130273,CCNc1nc(NCC)nc(N(n2cnnc2)S(=O)(=O)c2ccc(C)cc2)n1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID658190,COc1ccc(CCN/C=C2/CC(=O)NC2=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID772287,Cc1occc1C(=O)NNC(=O)c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2145803,CC(C)CN1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)SC1=S
+,,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,CID897075,COc1cccc(OC)c1C(=O)n1nc(C)cc1C
+0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,,CID660773,COc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2255107,Cc1cc2nc3s/c(=C/c4cn[nH]c4-c4ccccc4)c(=O)n3c2cc1C
+,,,,,,,,,,,0.0,,,,,0.0,CID655404,O=C(NCC1c2ccccc2CCN1C(=O)CN1CCOCC1)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID747948,COc1cc(C(=O)O/N=C2/C=CC(=O)C(C)=C2C)cc(OC)c1OC
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+0.0,,,,,,,,,,,,,,0.0,,0.0,CID5308220,Cc1cccc(-c2nc(CS(=O)CC(=O)NCC3CCCO3)c(C)o2)c1
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+,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID2908726,Cn1c(=O)c2c(nc(SCCNS(=O)(=O)c3ccccc3)n2C)n(C)c1=O
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+,0.0,,,,,,,,,,,,,,,,CID660486,CCCc1nc2scc(-c3ccccc3)c2c(=O)n1N
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+,0.0,0.0,,,,,,,,,,,,,,,CID652267,CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1
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+,0.0,,,0.0,0.0,,,,,,,,,,,0.0,CID1159974,COc1ccccc1N1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1
+,,,,,,,,,,,,0.0,,,,,CID651983,CC1CCCCN1C(=O)CSc1nc(C2CC2)nc2c1cnn2-c1ccccc1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID659531,N#CCCN1CCn2c1nc1ccccc12
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+,0.0,,,,,0.0,,,,,,,,,,,CID647501,CCn1nc(-c2ccccc2)nc2c(=O)n(C)c(=O)nc1-2
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+,,0.0,,,,,,,0.0,,,,,,,,CID663831,COc1cc2c(cc1OC)-c1cc(N3CCCc4ccccc43)nc(=O)n1CC2
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+,,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID2236435,O=C(c1ccco1)N1C(=O)c2cccc3cccc1c23
+,,,,,,,,,,,,,0.0,,,,CID2137779,CCCCC1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
+,,,,,,,,,,,,,,0.0,,,CID2417536,O=C(OCC(=O)N1CCCc2ccccc21)c1cncc(Br)c1
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+,,,,,,,,,,,,0.0,,,,,CID5770442,COc1ccc2[nH]c3nc(SCc4nnc(-c5ccccc5)o4)nnc3c2c1
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+0.0,,,,,,,,,,0.0,,,,0.0,,0.0,CID1306848,COc1ccc2c(c1)c(=O)c(Br)c(C)n2Cc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID648031,Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3)CC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2197251,Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1
+0.0,,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID2910742,O=C1NCCCC1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID655955,COc1cccc(C(=O)CSc2nnnn2C)c1
+0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,CID645882,Cc1occc1-c1nnc(SCC(=O)Nc2nccs2)n1Cc1ccco1
+,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,CID651153,O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)C1CCCC1)NCc1ccco1
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+,,0.0,,,,0.0,,,,,,,,,,,CID659352,COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(F)cc3)C21
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID763417,Fc1cccc(CN2CCN(c3ncccn3)CC2)c1
+0.0,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID3240509,CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(OC)cc2OC)o1
+,,,0.0,,,,,,,,0.0,,,,,,CID792486,c1ccc2c(Cn3ccnc3)c[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID4881633,COc1ccc(C(=O)NCC(=O)NCC(c2ccco2)N(C)C)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1631958,CC(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])s2)nc1-c1ccccc1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID3240562,COc1ccc(CCNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID664610,N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1597975,Cc1ccc(S(=O)(=O)NCCSc2ncccn2)cc1
+0.0,,,,,,,,,,,,,,,,,CID660297,CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1-n1ccnc1C
+,,,,,,,,,,,,,0.0,,,,CID2356045,S=C(N/N=C/c1ccc2ncccc2c1)Nc1ccccc1
+,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,CID3152380,CC1(C)CC(=O)c2sc(NC(=O)C3CC3)nc2C1
+,0.0,,,,,0.0,,,,,,,,,,,CID2578290,CC1CCC2(CC1)NC(=O)N(CC(=O)NC(=O)NC1CCCC1)C2=O
+,,,,,,,,,,,0.0,,,,,,CID1903213,COc1ccc(/C=N/NC(=O)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2125281,O=C(NC1=NCCS1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2444212,Cc1nc(SCC(=O)NC(C)(C)C)c2c(-c3cccs3)csc2n1
+0.0,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID1996299,Cc1cc(=O)nc(N/C(=N\C(=O)c2ccccc2)Nc2ccc3c(c2)OCCO3)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5039732,COc1cc(C(=O)Nc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1299771,O=C(Oc1cccc([N+](=O)[O-])c1)c1cc(-c2ccccc2)nc2ccccc12
+,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,CID759564,Cc1[nH]nc2c1C1(CCN(Cc3ccccc3)CC1)C(C#N)=C(N)O2
+,,0.0,,,,,,,,,0.0,,,,,,CID665541,CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1
+,,,,,,0.0,,,,,,,,,,,CID5649100,C=CCN1C(SCC(N)=O)=NN/C1=C1/C=C(Br)C=CC1=O
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID3244776,COCCNC(=O)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+,,,,,,,,,,,,,,0.0,,,CID24239,O=[N+]([O-])c1ccc2cn[nH]c2c1
+,,,,,,,,,,,0.0,,,,,,CID6085636,CCn1nc(C)c(NC(=O)/C=C/c2ccc(OC)c(COc3ccc(Cl)cc3Br)c2)c1C
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID2696932,COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID974001,CCOC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
+,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID2997653,Cc1ccc(C2(C)NC(=O)N(CC(=O)NC(=O)NC3CCCC3)C2=O)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID4441191,O=C1NC(c2ccco2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3
+,,,,,,,0.0,,,,,0.0,,,,,CID654081,CCN1C(=O)C(C(=O)NC(C)c2ccccc2)C2CC1(C)Oc1ccccc12
+,,,,0.0,,,,0.0,,,,,,,,,CID3237470,Cc1ccc2nc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)sc2c1
+,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,,,CID652532,Cc1ccc2nc(NC(=O)COC(=O)c3ccco3)sc2c1
+0.0,,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID659630,Nc1ccc2oc(-c3ccccc3Cl)nc2c1
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+,,,,,,,,0.0,,,,,,,,,CID3766543,COC(=O)C1C(O)=CC(=O)CC1C
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID1909022,COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID875263,N#C/C(=C\c1ccc(Sc2nc3ccccc3[nH]2)o1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2789423,CC(C(=O)Nc1ncn[nH]1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID2412142,Cc1ccccc1NC(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID3236349,Cc1cccc(-n2nnc(C(=O)NCc3ccc4c(c3)OCO4)c2N)c1
+,0.0,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID2240918,COc1ccc(CC(=O)NCc2nnc(SCCOc3ccccc3)n2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1084296,O=C(NC1CCCCC1)c1cc([N+](=O)[O-])n[nH]1
+,,,,0.0,,0.0,,,,,,,,,,,CID384431,Cc1nc2sc(C)c(C)c2c(=O)o1
+,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,CID5389613,C/C(NCc1cccnc1)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O
+,,,,,,,0.0,,,,,,,0.0,,,CID893621,O=C(O)CCc1ccc(-c2ccc(F)cc2)n1Cc1ccco1
+,,,,,,,,,,,,,,,0.0,,CID3237554,O=C(CCCCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
+0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2999625,CCCn1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID3655904,CC(C)C(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID655170,c1ccc2[nH]c(CCNC3CCCCC3)nc2c1
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+,,0.0,,0.0,,,,,,,,,,,,,CID3239019,CCOC(=O)N1CCN(C(=O)CSCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)CC1
+,,,,,,,,,,,0.0,,,,,,CID5399870,CCN(CC)C1=CC(=O)/C(=C/NNC(=O)OC)C=C1
+0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID647461,CCN(C(=O)c1cccs1)c1nnc(-c2ccncc2)s1
+,,,,,0.0,,,,,,,,,,,,CID2862634,CCOc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID730453,O=C(CCc1ccccc1)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID650895,COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1
+0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,0.0,0.0,CID1071228,COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)o2)c1
+,,,,,,,,,,0.0,,,,,,,CID5933933,CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2cc(OC)cc(OC)c2)C1=O
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID646732,CCc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1
+,,,,,,,,,,0.0,,0.0,,,0.0,0.0,CID581744,CC(=O)OC(C#CCN1CCOCC1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID731623,Cc1ccc(S(=O)(=O)NCc2ccccn2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3239447,Fc1ccc(-c2cc(C(F)(F)F)nc(-n3cncn3)n2)cc1
+0.0,,0.0,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,CID651213,O=c1cc(CNC2CCCCC2)c2ccccc2[nH]1
+,,,,,,,,,0.0,,,,,,,,CID5374165,O=NC1=C2NON=C2CC(O)C1
+0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID1067716,Cc1ccccc1C(=O)Nc1c(C(=O)N2CCCC2)cnn1-c1ccccc1
+,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,,CID720218,O=C(Cc1cccs1)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID800363,Cc1c(Cl)cccc1NC(=S)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,0.0,,,,,,,CID1242287,CN(C)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,,0.0,CID869142,CC(NCCN1CCOCC1)=C1C(=O)c2ccccc2C1=O
+,,,0.0,,,,,,,0.0,,,,,,,CID1245872,NC(=O)c1cc(Cc2ccccc2)sc1NC(=O)c1ccco1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID840552,COc1ccc(CCNC(=O)NC2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3245719,NC(=O)C1(N2CCCCC2)CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1
+,,,,,0.0,,,,,,,,,,,,CID2173499,O=C(O)CCCC(=O)N(Cc1ccccc1)Cc1ccccc1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID658559,OCCOCCOCCn1c2ccccc2c2ccccc21
+,0.0,,,,,0.0,,,,0.0,0.0,,,,,0.0,CID652237,COCCNC(=O)C(c1ccc(C)cc1)N(C(=O)CCC(=O)Nc1ccccn1)C1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID2982580,COc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID2967313,O=C(CCC1COc2ccccc2O1)NCc1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1291616,COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3ccc(Br)cc3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6298579,CC1CC1c1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1
+,0.0,,,,,,,,,,,,,,0.0,,CID3245215,CCOC(=O)C1CCN(C(=O)Cc2c(C(=O)O)[nH]c3ccccc23)CC1
+,,,,,,,,,0.0,,,,,,,,CID2413312,C=CCn1c(=O)c2ccccc2n2c(SCC(N)=O)nnc12
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID57381,CC(C)CCOc1ccc(C2(C)NC(=O)N(CN3CCOCC3)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID2982211,O=C(N1CCOCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID662468,CCOc1ccc(C2=Nn3c(nnc3-c3ccc(OC)cc3)SC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2967761,COc1cc(S(=O)(=O)NCC2CCCO2)ccc1Br
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID2084776,CCOC(=O)/C=C1\SCC(=O)N1CC(=O)c1ccc[nH]1
+,,,,,,,,0.0,,,0.0,,,,,,CID718810,COCn1c(COc2ccc3ccccc3c2)nc2ccccc21
+,0.0,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,CID667397,CCn1c(NC(=O)c2cccs2)c(-c2cccs2)c(=O)c2ccccc21
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,CID972560,COc1ccc(C2(C(=O)NC(C)C)CCCC2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID5665657,CCCCN(C)CC(=O)/C(C#N)=C1/NC(c2ccccc2)=CS1
+,,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID779240,OCCN1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID653043,CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)OCO4)cc2n1
+,,,,0.0,,,,,,,,,,,,,CID2989573,COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCOCC2)n1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,,CID645545,COc1ccc2cc(C#N)c(N3CCN(Cc4nnnn4CCC(C)C)CC3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID1043709,CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(C(=O)OC)cc1
+,,,,,0.0,0.0,,0.0,,,,,,,,,CID645570,COc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCC2CCCO2)cc1
+0.0,0.0,,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,CID649989,c1nc(COc2nsnc2N2CCOCC2)cs1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID2175572,Cc1cccc(OCCSc2cc(C)nc(N)n2)c1
+,,,,,0.0,,,,,,,,,,,,CID4829968,CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID898831,O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1cccs1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID4390807,CCOC(=O)c1ccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID4039375,Clc1ccc2c(N/N=C/c3cccc(Br)c3)ccnc2c1
+,0.0,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,CID654551,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)NC(C)c3ccccc3)CC2)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID3277795,CCCn1c(C(C)NC(C)=O)nc2ccccc21
+0.0,,,,,,0.0,,,,,0.0,0.0,,,,,CID661602,COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccccc1
+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID1472558,COc1cnc(-c2ccccc2)nc1Oc1cccc(C)c1C
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID649229,O=C(CN1CCOCCOCCN(CC(=O)Nc2ccccc2)CCOCC1)Nc1ccccc1
+0.0,0.0,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,CID2539175,Cc1nc(SCC(=O)N(C)Cc2ccco2)c2c(C)c(C)sc2n1
+,,,,,0.0,,,,,,,,,,,,CID4371654,COc1ccc(C2CC(O)C(C)C(c3ccc(OC)cc3)N2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5392010,O=c1oc2c(CN3CCOCC3)c(O)ccc2c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID15945244,O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)Nc1ccccc1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID2954557,O=CN1CCN(C2CC(=O)N(c3ccc4c(c3)OCO4)C2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID1315623,Cc1cc(C)nc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)c1
+,,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID1076422,COc1ccc(OC)c(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(C)(=O)=O)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2975858,CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)s1
+,,,,,,,,,,,,,0.0,,,,CID2440126,Cc1ccc(-n2nc(C)cc2NC(=O)CC#N)cc1
+,,,,,,0.0,0.0,,,,,0.0,,0.0,,,CID647470,CCCc1[nH]c(SCC(N)=O)nc(=O)c1CC
+,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID675184,O=C(NCc1ccco1)c1cc2ccccc2o1
+,,,,,,,0.0,,,,,,,,,,CID651761,CCOC(=O)CSc1nc2ccccc2n1CC(=O)NC(C)(C)C
+,0.0,,,,,,,,,,,,,,,,CID648541,CCCCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID662728,COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID731925,Cc1ccccc1CSc1nncn1N
+,,,,,,,,,,,0.0,,,,,,CID2102207,CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1
+,,,,,,,,,,,0.0,,,,,,CID1002243,COc1ccc(OC)c(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)c1
+0.0,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,CID1511410,Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)n1
+,,,,,,,,,,,,,0.0,,,,CID2097446,COc1ccccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])s1
+,,,,,,,,,,,,,0.0,0.0,,,CID774276,COc1ccc(CNC(=O)CSCc2ccccc2Cl)cc1
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID1358513,Cc1cccc(N2CCN(C(=O)C3CCCCC3)CC2)c1C
+,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,CID822630,CCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1
+1.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID1300948,O=C(CSc1nc2ccccc2o1)Nc1ccc(N2CCOCC2)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID726285,COC(=O)c1cccc(NC(=S)N2CCCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID843862,Cc1ccc(C)c(NC(=S)NNC(=O)c2ccco2)c1
+,,,,,0.0,,,,,,,,,,,,CID2816323,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)CSc1nnc(-c2cccs2)n1CC
+0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,,,CID767757,COc1ccccc1CNC(=O)CCn1c(=O)sc2ccccc21
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID4162507,O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID817029,CC1(C)Cc2c(sc(NC(=O)c3ccccc3)c2C(=O)O)CO1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID2091543,COc1ccccc1-n1cnnc1SCC(=O)c1ccc[nH]1
+,,,,,0.0,,,,,,0.0,,,,,,CID777324,Cc1ccc2nc(Nc3nc(=O)cc(-c4ccccc4)[nH]3)nc(C)c2c1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID973170,Cc1c(C(=O)N2CCOCC2)oc2c1C(=O)CC(C)(C)C2
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID64964,C1CNCCNCCCNCCNC1
+,0.0,,,,,,,,,,,,,,,,CID5310212,COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCC(Cc5ccccc5)CC4)cnc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID2929373,Cc1ccc(N2C(=O)C3C(c4ccccc4)(C2=O)C3(c2ccccc2)c2ccccc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID627101,CCN1CCc2c(C#N)c(N3CCOCC3)nc(N3CCOCC3)c2C1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3152673,COc1cccc2c1N1C(=O)c3c(C(=O)O)cccc3C1CC2(C)C
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID5389712,COC1=CC(=O)/C(=C2\NNC=C2Oc2ccccc2OC)C=C1
+,,,,,,,,,,0.0,,,,,,,CID9549688,Cc1ccc(NC2=C/C(=N\S(=O)(=O)c3cccs3)c3ccccc3C2=O)c(C)c1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID2516748,COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)ccc1OCc1c(C)noc1C
+,,,,,,,,,,,,,,0.0,,,CID698446,CC1=CC(C)(C)N(C(=O)CSc2nncn2C)c2ccccc21
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID648876,CCOCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
+,,,,,,,0.0,,,,,,,,,,CID2879387,O=C(O)c1cccnc1SC1CC(=O)N(Cc2ccccc2)C1=O
+,,,,,0.0,0.0,,,,0.0,,,,,,,CID5389750,Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCC3
+,,0.0,,,,,,,,,0.0,0.0,,,0.0,,CID3235705,CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)CC1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID5309469,COc1cc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2c(C)noc2C)cc(OC)c1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID3244308,CC1CCN(CCNC(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=O)[nH]c3c2)CC1
+0.0,,,,0.0,,,,,,,,,,,,,CID3240624,COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1Cl
+0.0,,,,1.0,0.0,,,,0.0,,0.0,,0.0,,,,CID664636,CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1
+,,,,,,,,,,,,0.0,,,,0.0,CID646070,COc1cc(C2N3CC4(C)CN2CC(C)(C3)C4)ccc1O
+,,,,,,,,,,,,,0.0,,,,CID1616727,CCCCc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)cc1
+,,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID2918953,CC(NC(=O)C1CCC1)c1ccccc1
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID2997539,COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID645994,Cc1cnn(C2CCN(C)CC2)c1N
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,CID645142,O=C(Nc1ccc(Cn2nnc3ccccc32)cc1)c1ccco1
+,,,,,,,,,,0.0,,,0.0,,,,CID1962440,Cc1cccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)c1
+,,,,,,,,,,,,,0.0,,,,CID1481076,Cc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID1265151,CCOc1ccc(NC(=O)CNC(=O)c2ccc(OC)c(OC)c2)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID3243978,CCn1c(=O)n(CC(=O)N(C)Cc2ccccc2)c(=O)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID1859520,COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OC
+,,,,,,,,,0.0,,0.0,,,,,,CID877924,O=c1nc2n(c(O)c1Cc1ccccc1)CCCS2
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID2940063,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1251891,Cc1cc(S(=O)(=O)Nc2c(C)ccc3nsnc23)ccc1F
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0,0.0,,CID712665,O=C(NCc1ccccn1)c1ccc2ccccc2n1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID650192,Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID1138736,Cc1ccc(S(=O)(=O)NCc2ccc(/C=C(/C#N)C(=O)NCc3ccccc3)o2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID843942,CC(C)Cn1c(-c2csc3ccccc23)n[nH]c1=S
+,,,,,,,,,,0.0,0.0,,,,,,CID899812,Nc1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,0.0,CID3242705,CCOC(=O)c1c(-c2cccc(OC)c2)nn2c(C)c(CCC(=O)O)c(C)nc12
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+,,,,,,,,0.0,,0.0,,,,,,,CID2969022,Cc1n[nH]c(C)c1C(=O)CC1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21
+,,,,,0.0,,,,,,,,,,,,CID878156,CCOc1cc(OCC)cc(C(=O)Nc2c(C)cccc2C)c1
+,,,,,,,,,0.0,,,,,,,,CID6018667,COC1(OC)C(/C=C\c2ccc(Cl)cc2)C(C#N)(C#N)C1(OC)OC
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+,,,,,,,,,,0.0,,,,,,,CID5310300,Cc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2cccc(C)c2C)s1
+,,,,,,,,,,,,,0.0,,,,CID2404975,CCc1cc(SC#N)cc(CC)c1NC(=O)CCl
+,,,,,,,,,,,,,0.0,,,,CID12005995,O=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)OCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID901917,COc1cccc(-n2cnc(=O)c3cccnc32)c1
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID664680,CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1
+,,,0.0,,,,,,,,,,,,,,CID1425004,COC(=O)CNc1n[nH]c(=S)[nH]c1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID654323,O=C(O)CCCn1nc(C(F)(F)F)c2c1CCCCC2
+0.0,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID3236399,O=C(NC1CCCC1)C1c2ccccc2C(=O)N1C1CCCCC1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3239268,CCC(Sc1nc(=O)cc(N)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
+0.0,,,,,,,,,0.0,0.0,,,,,0.0,0.0,CID3238892,CCOc1ccc(-c2cc(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID731219,COc1cc(/C=C/C(=O)NC(C)C)ccc1OCc1ccccc1
+,0.0,,,,0.0,,,,0.0,,,,,,0.0,,CID3240818,CCOC(=O)c1cnc2cc3c(cn2c1=O)CCCC3
+,,,,,0.0,,,,,,0.0,,,,,,CID1823114,COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)c3cccc(F)c3)c2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2230305,Brc1ccccc1-c1nnc2sc(Cc3ccccc3)nn12
+,,0.0,,,,,,,,,,,,,0.0,,CID3245580,C=C(C)Cn1c(CCNC(=O)CCC)nc2ccccc21
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID5309616,O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)ccc21
+,0.0,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID1938687,COc1cc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc(OC)c1OC
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+,,,,,,,,,,,,,0.0,,,,CID991456,COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCc2ccco2)cc1
+,,,,,,,,,,0.0,,,,,,,CID579842,Nc1nc(Cn2nnc(-c3ccccc3Cl)n2)nc(N2CCOCC2)n1
+,,,,,,,,0.0,,0.0,,,,,,,CID1244759,CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Br)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID654535,COCc1[nH]nc2c1C1(C(=O)N(C)c3ccccc31)C(C#N)=C(N)O2
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID3244516,Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,,,,,,0.0,,CID2121350,Cc1cccc(OCCC(=O)OCC(=O)N2CCc3ccccc32)c1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID651035,CC(C)C(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1
+0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,CID663328,CCOc1cc(C2c3c(n[nH]c3C)C(=O)N2c2ccc(C)cc2)ccc1O
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID312385,O=C(Nc1ccccc1)c1cnc[nH]1
+,,,0.0,,,,,,,,,,,,,0.0,CID2225470,O=C(NCCCN1CCOCC1)c1c(F)cccc1F
+,,,,,,,,,,,,,0.0,,,,CID3902886,CC(c1nnc(SCC(=O)Nc2cccnc2Cl)n1Cc1ccccc1)N(C)C
+,,,,,,,,,0.0,,,,,,,,CID819774,O=Cc1cn(CC(=O)N2CCOCC2)c2ccccc12
+,,,,,,,,,,,,,,,0.0,,CID783443,CCCN(CCO)Cc1ccc(F)c(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID943140,COc1ccccc1NC(=S)NC1CCCCCC1
+0.0,,,,,,1.0,,,,,,,,0.0,,,CID661110,OCCOCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
+,0.0,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID976757,CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(C)sc3c2)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID84193,c1ccc(-c2nnc(-c3ccco3)o2)cc1
+0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID2971259,Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)no1
+,,,,,,,,,,0.0,,,,,,,CID666456,COc1ccc(N2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2375556,CC(C)c1ccc(Nc2nnc(SCC(=O)c3nnc(-c4ccccc4)o3)s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID735634,COc1cccc(OC(=O)N2CCOCC2)c1
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,CID3591780,CCOc1ccc(NC(=O)C2CSC(c3ccncc3)=N2)cc1
+,0.0,0.0,,,,,0.0,,,,,,0.0,,,,CID651135,CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID3243458,CCN(CC)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O
+,,,,,,,,0.0,,,,,0.0,,,,CID893819,CCOc1ccc(S(=O)(=O)N2CCCC2)cc1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID645486,CC1(C)Oc2ccc(C(=O)N3CCOCC3)cc2N(CC(=O)Nc2ccccc2)C1=O
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID2526863,COc1ccccc1NC(=O)Cc1noc(CSc2cc(C)c3ccccc3n2)n1
+0.0,,,0.0,,0.0,,0.0,,,,,,,,,,CID5309745,Cc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccc3)c(C)o2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1226678,Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc1Cl
+,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID3238858,COc1ccc(Cl)cc1N(C)C(=O)CCc1nc(-c2ccc(C)cc2)no1
+,,,,,0.0,,,,,,,,,,,,CID4519251,CCCCc1c(O)n(-c2ccc(Cl)cc2)c(-c2cccnc2)cc1=O
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID2351271,O=C(COC(=O)c1ccc(Br)o1)NCc1ccco1
+,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID2980579,CNC(=O)CN(C)S(=O)(=O)c1ccc(OC)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID785529,OCCN1CCN(C(=S)Nc2ccccc2)CC1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID821828,O=C(NCc1ccco1)c1nc2ncccn2n1
+,,,,,,,,,,,,,,0.0,,,CID915682,Cc1ccccc1N1CC(=O)N(c2ccccc2C)CC1=O
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID2971285,Cc1c(C(=O)NC(C)c2ccncc2)oc2ccccc12
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID1246378,COc1ccc(NC(=O)c2cc(C)on2)cc1OC
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID9550969,CCc1c(C(=O)Nc2cc(C)cc(C)c2)[nH]c(C)c1C(C)=O
+,,,,0.0,,,,,,,,,,,,,CID764011,O=C(Cc1ccc2c(c1)OCCO2)c1c(O)cc(O)cc1O
+0.0,,,,,,,0.0,,,,,,,,,,CID3244289,CCOC(=O)CSC1=C(C#N)C(c2ccccc2)C(C(C)=O)=C(C)N1
+,0.0,,0.0,0.0,,,,,0.0,,,,,,,,CID1252532,Cc1ccc(CNc2cc(-c3nn4c(C)nnc4s3)ccc2C)s1
+,,,0.0,,,,,,,,,,,,,,CID658702,Cn1ccnc1SCCC#N
+,0.0,,,0.0,,,0.0,,,,,,,0.0,,,CID2116317,COc1ccccc1NC(=O)COC(=O)CNC(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID891620,CC(C)NC(=O)c1ccc(COCC(F)(F)F)cc1
+,,,,,0.0,,,,,,,,0.0,,0.0,,CID645458,CCCC(=O)C1=C(Nc2ccc(OC)cc2OC)CC(C)(C)CC1=O
+,0.0,,,,0.0,0.0,,,,,,0.0,0.0,0.0,,,CID649501,CC(C)C(=O)Nc1ccc(NC(=O)c2ccccn2)cn1
+,,,,,,,,,,,,,0.0,,,,CID2562584,O=C(CSc1cccc(C(F)(F)F)c1)NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5309862,CC(=O)c1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1
+,,,,,,,,,,0.0,,,,,,,CID2212788,C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1
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+,,,,,,,0.0,,,,,,,,0.0,,CID2973623,O=C1Nc2ccccc2C12OC1CCCCC1O2
+,,,,,,,,,,,,,0.0,,,,CID830670,CC1N(C)c2cccc3cccc(c23)N1C
+,,,,,,,,,,,,,0.0,,,,CID1977398,Cc1c(C(=O)NNS(=O)(=O)c2ccccc2Cl)sc(=S)n1C
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID348695,Nc1cccc(-c2nc3ccccc3[nH]2)c1
+,0.0,,,,,,,,,,,,,,,,CID2123122,c1n[nH]c(NC2=NCCC2)n1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,,,CID758245,COC(=O)c1c(C(=O)OC)c(C)n(Cc2cccnc2)c1C
+,,,,,,,,,,,0.0,,,,,,CID731474,Fc1ccc(CSc2ncnc3sc4c(c23)CCCC4)cc1
+,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID3239081,CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(C(=O)c4ccco4)CC3)ccc21
+,,,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,CID644945,OCCNCC(O)Cn1ccc2ccccc21
+,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID971509,CC(=O)c1cccc(NC(=O)N2CCc3ccccc3C2)c1
+,,0.0,,,,,,,,,,,,,,,CID876697,N#Cc1c2c(nc(N)c1-c1ccccc1)CCCCC2
+,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,CID729581,COc1ccc(S(=O)(=O)N(C)CC(=O)O)c2ccccc12
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID825648,O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1F
+,,,,,0.0,0.0,,,,,,0.0,,,0.0,,CID5308241,O=C(O)c1c2c(nc3ccc(S(=O)(=O)N4CCC(C(=O)N5CCCCC5)CC4)cc13)CCCC2
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID663679,Cc1cc(C)n(-c2ncnc3c2oc2ccccc23)n1
+0.0,,,,,,,,,,0.0,,,,,,,CID5355209,CCO/C(O)=C1\NC(=O)c2ccccc2C1=O
+,,0.0,,,,0.0,,,,,,,,,,,CID655376,CC(C(=O)Nc1ccccc1C(=O)N1CCCC1)n1nnc2ccccc21
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID659646,CCOC(=O)c1cnn(-c2ncnc3c2oc2ccccc23)c1N
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID2214939,COCc1cc(C)nc2sc(C(=O)N3CCCC3)c(N)c12
+,,,,,,,,0.0,,0.0,,,,,,,CID1300212,CN(CC(=O)Nc1ccccc1C(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID1242229,COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2N)c1
+,,,,,,,,,0.0,0.0,,,,0.0,0.0,,CID621538,N#CC1=C(N)N2C(=C(C#N)C1c1ccccc1)Sc1ccccc12
+,,,,,,,,,,,,,,0.0,,,CID1119300,O=C(CCN1CCCCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2296395,CCCCC1(CC(=O)OC)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID847938,Cc1ccc(-n2cnnn2)c(S(=O)(=O)N2CCOCC2)c1
+0.0,0.0,0.0,,,,,,,,,,,0.0,,,,CID2304352,COc1c(C)cccc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
+,,,,,,,,,,,,,,,0.0,,CID3241819,CN(C(=O)c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID579189,Cc1cc(C(=O)N2CCCC2C(=O)O)c(C)o1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID649390,CCC(=O)N1CCN(C(C)=O)C1c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID797798,CC(C)c1nc(NCc2ccccc2)c(C#N)c2c1CCCC2
+,,,,,,,,,0.0,,,,,,,,CID658200,CCCn1c(N2CCN(CC(=O)c3c[nH]c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID858019,Oc1ccc(-c2nc3ccccn3c2NCc2ccco2)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID5771366,CCc1nnc(NC(=O)CSC2=NN/C(=C3\C=Nc4ccccc43)N2CCOC)s1
+0.0,,,,,,,,,,,,,,,,,CID657887,Cn1cc(Br)cc2nc(C(F)(F)F)nc1-2
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID659900,COc1ccc(CC(=O)NCc2ccccn2)cc1OC
+0.0,,,,,,0.0,,,,,,,,0.0,,,CID1022785,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OCO2
+,,,0.0,0.0,,,0.0,,,,0.0,,,,,,CID3238222,CCC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID649453,CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC
+,,,,,,0.0,0.0,,,,,,,0.0,,,CID2978475,COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1C
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID2860661,COc1ccc(C2NC(=O)c3sc(=S)n(-c4ccccc4)c3N2)cc1
+,,,,,0.0,,,,,,,,,,,,CID784618,O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCS2
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID652830,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2Cl)no1
+,,,,0.0,,,,,,,,,,,,0.0,CID2990071,CCOC(=O)N1CCN(c2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1
+,,,,,,0.0,,,,,,,,,,,CID658899,Cc1c(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC4)c(F)c32)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID778383,COc1cccc(NS(=O)(=O)Cc2ccccc2)c1
+,,,0.0,,,,,,,,,,,,,,CID653340,O=C(CN(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1)NCCc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID2788101,COc1cc(C(C)=O)ccc1OC(=O)C(C)N1C(=O)c2ccccc2C1=O
+0.0,,,,,,,0.0,,0.0,,,,,,,,CID658010,CN1Cc2c(N3CCOCC3)nc(SCc3ccccc3)c(C#N)c2CC1(C)C
+,,,,,,,,,0.0,,0.0,,,,0.0,,CID718748,Cc1nn(-c2nc3ccccc3[nH]2)c(N)c1-c1ccccc1
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID2668497,Cc1noc(C)c1COc1cccc(C(=O)Oc2ccc3c(c2)OCO3)c1
+,,,,,,,,,,,,,,0.0,,,CID2856620,Cc1ccc(NC(=O)CC2CS(=O)(=O)CC2CC(=O)Nc2ccc(C)c(C)c2)cc1C
+,,,,,,,,,0.0,0.0,,,,,,,CID2132733,C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O
+,,,,,,,,,,0.0,,,,,,,CID2425146,COc1ccc2nc(NC(=O)c3cccc(S(=O)(=O)N4CCOCC4)c3)sc2c1
+,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,CID657960,CCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2
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+,,,,,,,,,0.0,,,,,0.0,,,CID6410136,CCCCSc1nnc2c(n1)OC(C(=O)c1ccccc1)Nc1ccccc1-2
+0.0,,,,,,,,,,0.0,,,,,,,CID23064,OC(CNC1CCCCC1)c1ccccc1
+,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID5309205,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)o1
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+,,,,,0.0,,,,,,,,,,,,CID5665564,N#C/C(C(=O)CN1CCCCC1)=C1\NC(c2ccc(Cl)cc2)=CS1
+,,,,,,,,,,0.0,,,,0.0,,,CID747366,CCN1c2cccc3cccc(c23)S1(=O)=O
+,,,,,,,,,,0.0,,,,,,,CID5435078,Cc1cc(C)c(N/C(=C2/C(=O)c3ccccc3N(C)C2=O)c2nn[nH]n2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID889037,Cc1ccc(CC(=O)Nc2nc3ccccc3s2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID3240194,COc1cc2c(cc1OC)C(C(=O)O)C(c1cccc(Cl)c1)N(C)C2=O
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+,,,,0.0,,,,,,,0.0,,,,,,CID3238024,CCOC(=O)N1CCC(n2c(SCC(=O)Nc3nccs3)nc3ccsc3c2=O)CC1
+,,,,,0.0,,,,0.0,,,,,,,0.0,CID3240238,O=C(NCc1ccco1)C1CC(=O)N(CCc2ccccc2)C1
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+,,,,,,,0.0,,,,,,,,0.0,,CID4476328,CCC(=O)Nc1cc(C(=O)NCC2CCCN2CC)c(OC)cc1N(C)C
+,,,,,0.0,,,,,,,,,,,,CID684756,CCOC(=O)c1[nH]c(C)c(C(=O)c2ccc(C)cc2)c1C
+0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,0.0,CID2933192,Cc1onc(-c2ccccc2Cl)c1C(=O)NCCCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2269051,O=C(Nc1ccc(OCc2ccccc2)cc1)C(c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1007845,CCOc1cc(/C=N/NC(N)=O)cc(Br)c1OCC(=O)Nc1cccc2ccccc12
+0.0,,,0.0,,,,,,,,,,,,,,CID3241191,COc1cc(C(=O)NCc2cn3ccccc3n2)cc(OC)c1OC
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID653684,CC1(C)C(=O)NCCN1C(=O)CSc1nccc(-c2ccc(Br)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2898097,CC(=O)C1=NN(c2ccccc2)C(c2cccs2)N1c1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID660388,CCOC(=O)CSc1nc(-c2ccc3c(c2)OCO3)ccc1C#N
+,,,,,,,,,,,,0.0,,,,,CID3243834,CCC(=O)N1c2ccc(S(=O)(=O)N(CCO)Cc3ccccc3)cc2CC1C
+0.0,,,,,,,,,,,,,,,,,CID2957104,CC(NS(=O)(=O)c1ccc(Br)cc1)C(N)=O
+,,,,,,0.0,,0.0,,,,,,,,,CID3235626,COc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2883791,O=C(N/N=C/c1cccc([N+](=O)[O-])c1)C1CC(=O)N(c2ccc(F)cc2)C1
+0.0,,,,0.0,,,,,,,,,0.0,,,,CID4459896,COC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID897439,Cc1cc(N2C(=O)CCC2=O)ccc1NC(=O)c1cccs1
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,,CID5308843,Cc1cc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)no1
+,0.0,,0.0,,0.0,,,,,0.0,,,,,,,CID660956,CCCCCCOC(=O)CCn1[nH]c(=O)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,0.0,CID712288,Nc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1
+,0.0,,,,,,0.0,0.0,,,,,,,0.0,,CID656352,Cc1nc(NCCNC(=O)c2ccco2)c2c(C)c(C)sc2n1
+,,,,,,,,0.0,,,,,,,,,CID1346577,Cc1cccc(N2CCN(C(=O)Cc3ccc(Br)cc3)CC2)c1C
+0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,,CID3242572,COc1ccc(-c2nc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)no2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID2827362,CCCCCN(CCCCC)C(=O)c1ccccc1C(=O)Nc1ccccc1
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,CID1131934,O=S1(=O)N=C(Nc2ccc(O)c(CN3CCCCC3)c2)c2ccccc21
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+,,,,0.0,,0.0,,,,,,,,,,,CID2545559,O=C1N(S(=O)(=O)c2ccccc2F)C(=O)C2(CCCC2)N1S(=O)(=O)c1ccccc1F
+,,,,,,,,1.0,,,,,,,,,CID5740506,CC1CC(C(F)(F)C(F)(F)F)N2NC(C(=O)O)=CC2=N1
+,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,,CID976662,COC(=O)Cc1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5707376,COC1=CC(=O)O/C1=C\Nc1ccc(C(F)(F)F)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2869993,CCOc1cc(C2CC(=O)c3c(ccc4ccccc34)N2)ccc1O
+,,,,,,,,,,0.0,,,,,,,CID570999,COC(=O)C(Cc1ccc(O)cc1)NC(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2844377,O=C(NCc1cccnc1)C(=O)NC1CCCCC1
+,,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,CID661684,Cc1cc(C)n(CC(=O)c2ccccc2)c(=O)c1C#N
+,,,,,,0.0,,,,,,,,,,,CID753712,COc1cc(CN(C(=O)c2ccco2)c2ccc(C)cc2)ccc1O
+,,,,,0.0,,,,,,,,,,,,CID1815806,Clc1ccc(-c2noc(CCCOc3ccccc3)n2)cc1
+,0.0,0.0,,0.0,,,,,,,,0.0,,0.0,,,CID2104591,CCCC(=O)Nc1nnc(-c2ccc(Cl)s2)o1
+,,,,,0.0,,,,,,,,,,,,CID1103380,O=C(CSc1nc2ccccc2o1)c1ccc2c(c1)Cc1ccccc1-2
+,,,,,,,,,,,,,,0.0,,,CID2146209,COc1ccc2oc(=O)c(C(=O)n3ccc(C)n3)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID890257,O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID872451,Cc1ccc(C(=O)N/N=C/c2ccc(Br)o2)o1
+,,,,,0.0,,,,,,,,,,,,CID2890695,CCC(C(=O)N1CCc2ccccc21)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1164699,COc1ccc(C(=O)NNC(=O)Cn2nnc(-c3ccc(OC)c(OC)c3)n2)cc1
+,,,,,,0.0,,,,,0.0,,0.0,,0.0,,CID653440,Cc1ccc(-c2cnc(N)n2C)cc1C
+,,,,,,0.0,,,,,,0.0,0.0,,0.0,0.0,CID2218918,COc1ccc(OC)c(C(=O)CSc2nnc(-c3cccnc3)n2C)c1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID232388,O=C(O)C1CCCN1C(=O)OCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1307626,CC(C)C(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID3210861,COc1ccc(CNC(=O)C(c2ccc(C)o2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
+,,,,0.0,,0.0,,,0.0,,0.0,,,,,,CID658550,COc1c2c(=O)n(-c3ccccc3C)[nH]cc-2ccc1=O
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308896,Cc1noc(C(=O)NCc2ccco2)c1Cl
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5307508,CCOC(=O)C1CCN(c2c(Nc3ccc4c(c3)OCCO4)c(=O)c2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID2417464,CSc1ncccc1C(=O)OCc1ccccc1Cl
+,,,,,0.0,,,0.0,,,,,,,,,CID785832,O=C(c1ccc2c(c1)OCO2)N1CCCC1
+,,,,,,,,0.0,,,,,0.0,,0.0,0.0,CID3239289,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccccn3)c21
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID652812,COc1ccc(CNC(=O)C(OC(C)=O)c2ccccn2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID647456,O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID16192054,COc1ccc(CC2(CO)CCN(Cc3cnn(-c4ccc(F)cc4)c3)CC2)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID2942160,CC1CN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(Cl)cc2Cl)CC(C)O1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID2933833,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nc(NC4CCCC4)c4ccccc4n3)CC2)cc1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID2344488,COc1ccc(-c2nnc(SCC(=O)c3ccco3)n2-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2269895,COc1cc(/C=N/N=C(N)N)ccc1OCc1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID589574,CCCCCC1CC1C(=O)N/N=C/c1ccc(N(C)C)cc1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID657425,CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C1c1ccco1
+,,,,,,0.0,,,,,,,,,0.0,,CID973199,c1ccc(-c2cc(N3CCCCCC3)n[nH]2)cc1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID658747,NC(=O)c1ccc(-c2ccc(Br)cc2)o1
+,,,,,,,,,0.0,,,,,,,,CID658004,COCc1[nH]nc2c1C(c1sccc1C)C(C#N)=C(N)O2
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID3237721,COc1ccc(CCNC(=O)CC(NS(=O)(=O)c2ccc(NC(C)=O)cc2)C(C)C)cc1OC
+0.0,,,,,,,,,,,,,,,,,CID650362,Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)NCc2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1486624,Clc1ccccc1SCc1nc2ccccc2[nH]1
+,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,CID3241543,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccc4OC)c3C2=O)CC1
+,,,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,CID709682,Cn1ccnc1SCC(=O)Nc1cccc2ccccc12
+0.0,,,,0.0,,,,,,,,,,,,,CID1051136,O=S(=O)(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1431192,CC(=O)c1ccc(S(=O)(=O)N(C2=NCCCS2)c2cccc3ccccc23)cc1
+,,,,,,0.0,,,,,,,,,,,CID661509,CSc1nnc(N(CCC#N)CCC#N)s1
+,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,CID658399,O=C(CN1CCOCC1)OCCCC1CCCCC1
+,,,,,,,,,,,0.0,,0.0,,,,CID742355,Cc1ccccc1NC(=O)CSc1nc2ccccc2o1
+0.0,0.0,,,,,,,,,,,0.0,,,,0.0,CID3241449,CCOc1ccccc1CNC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID3237064,CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID839474,O=C(NCc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5353800,CN(C)C(=O)/N=N/C(=O)N(C)C
+,,,,,,,,,,,0.0,,0.0,,,,CID2550919,CCc1cccc2c(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)c[nH]c12
+,,,,,,,0.0,,,,,,,,,,CID2868443,COc1ccc(OC)c(S(=O)(=O)NCC2CCCO2)c1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID4092171,Brc1cccc(-c2nnc3sc(CNCc4ccco4)cn23)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID3179384,COc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C)C(=O)NCCC(C)C)n2)cc1OC
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID1319308,COC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID2982611,COC(=O)C1=C(CSc2nnnn2C)NC(=O)NC1c1cc(C)ccc1C
+,,,,,,,,,,,0.0,,,0.0,,,CID2140163,COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID3245633,Cc1ccc(C)c(CN2CCNC2=O)c1
+,,,,,0.0,,,0.0,,,,,,,,,CID889407,CC(C)Cc1nnc(NC(=O)CSc2ccccn2)s1
+,,,,,,,,0.0,0.0,,,,,,,,CID3157240,O=C(Oc1cccc2c(OC(=O)N3CCCC3)cccc12)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID669415,O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID768390,O=c1oc2ccccc2c(Cl)c1CN1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1259415,CCSc1ncc(Cl)c(C(=O)Nc2ccccc2)n1
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID2855847,COc1cc(C2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)ccc1O
+,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID2279376,COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(C)(=O)=O)cc1OC
+,,,0.0,,,,,,,,,0.0,,,,,CID2998646,CN1CCCN(CC(O)COCc2cccs2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2264266,CCOC(=O)NC(Nc1ccc(C)cn1)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,,0.0,,,,,,CID5348668,N/C(=N\OC(=O)CCc1ccccc1)c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID4841430,C/C(=N\Nc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,,,,0.0,,,CID2971665,CCOC(=O)C1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1
+,,,,,0.0,,,,,,,,,,,,CID570268,NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1418715,CCOC(=O)c1c(C(=O)OCC)c(C)n(CCc2ccc(OC)c(OC)c2)c1C
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID654577,Cc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID4243437,Cc1ccccc1N1C(S)=C(C#N)C(=O)NC1c1cccs1
+,,,,0.0,,,,,,,,,,,,,CID2942509,O=S(=O)(NCC1CCCO1)c1ccc2oc3ccc(S(=O)(=O)NCC4CCCO4)cc3c2c1
+,,,,,,,,,,,0.0,,,,,,CID3393239,COC(=O)C1CC(=O)N(CCc2c[nH]c3ccccc23)C1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID906598,COc1ccc(C(=O)c2oc3ccccc3c2NC(C)=O)cc1
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID1258036,COc1ccc(-c2noc(CN3CCN(c4ccccc4F)CC3)n2)cc1OC
+,,0.0,,,0.0,0.0,,,,,,,,,0.0,,CID5309258,Cc1csc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)n1
+,,,,,,,0.0,,,,,,,,,,CID659515,CCCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
+,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,CID655444,COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)CCn1nnc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID5346946,CCO/C=C1\C(=O)N(CC)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID2962732,O=C(CC1C(=O)N(c2ccc(F)cc2)C(=O)N1Cc1ccccn1)Nc1ccccc1
+,0.0,,,,,0.0,,,0.0,,0.0,,,,,,CID1365909,Cc1cccc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1
+,,,,,,,,,,,,,,0.0,,,CID1449197,CCC(=O)Nc1ccc(NC(=O)c2ccccc2)nc1
+,,,,,,,,,0.0,0.0,,,,,,,CID654956,COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)Cc1nnnn1Cc1ccco1
+,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0,CID800327,Cc1nccn1-c1ncnc2sc3c(c12)CCCC3
+,,,,,0.0,0.0,,,,,,,,,,,CID2998691,O=C1CCCCC1Sc1nnc(Cc2cccs2)n1CCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2929280,O=C(Oc1ccc2cc(Br)ccc2c1)N1CCCCCC1
+,,,,,,,,0.0,0.0,,,0.0,,,,,CID1565314,Cc1cccc(OCCCC(=O)Nc2ccc(N3CCOCC3)cc2)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID663397,CC1CCCC(N2C(=O)NC(NC(=O)c3ccco3)(C(F)(F)F)C2=O)C1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2478137,O=C(CNC(=O)c1ccccc1)OCc1nnc(-c2ccc(Cl)cc2)o1
+0.0,,,,,,,,,,,,,,,,,CID2998111,CN(C)/C=N/c1c(C#N)cnn1-c1ccc(C(F)(F)F)cn1
+,,,,,,,,,,,,,,0.0,,,CID653095,Cc1ccc(C(C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)CNC(=O)c2cccs2)o1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1297913,COc1ccc(NC(=O)Nc2ncn(Cc3cccc(C(F)(F)F)c3)n2)cc1OC
+,,0.0,,,0.0,,,,,,,,,,,,CID2080348,COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)OCc1nnc(-c2ccccc2)o1
+,,,,0.0,,0.0,,,0.0,,,0.0,,,,,CID3236161,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OC(C)=O)c(OCC)c1
+,,,,,,,,,,,,,,0.0,,,CID698520,COc1cc(NC(=O)c2cccc(Br)c2)nc(OC)n1
+,,,,,,,,,,,,0.0,,,,,CID5538639,CCOC(=O)c1cc2cc(-c3c(C(=O)OCC)oc4cc(O)cc(O)c4c3=O)ccc2o1
+,,,,,,,,,,,,,,0.0,,,CID1256332,CCOC(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2OC)CC1
+,,,,,,,,,0.0,,,,,,,,CID866997,CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C)cc2)c1C
+,,0.0,0.0,,,,,,,0.0,,0.0,,,0.0,0.0,CID831603,COc1ccc(-c2noc(COc3ccc(Cl)c(C)c3)n2)cc1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID743019,O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1296556,COc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2952171,O=C(O)CCC(=O)N1N=C(c2ccccc2)CC1c1ccc2nccnc2c1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID5307635,CCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,,,,,,,,0.0,,,,CID850549,Cc1ccccc1NC(=O)c1sc(Cl)nc1C
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID1089310,Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O
+0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,CID971348,COC(=O)c1ccccc1NC(=O)NCc1ccc(OC)c(OC)c1
+0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID892092,Cc1nnc(SCC(=O)N2CCc3ccccc32)s1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID666654,Cc1cc2c(c(=O)n1CCc1ccccc1)C(C(C)C)C(C#N)=C(N)O2
+,,,,,,,,,,,0.0,,,,,,CID2278644,COc1ccc(C(=O)NC(=S)Nc2ccc3c(c2)Cc2ccccc2-3)cc1
+,,,,,,,,,,,,,0.0,,,,CID3923344,COCCn1c(-c2cccs2)cs/c1=N\c1cccnc1
+,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID2961465,CCC(NC(=O)c1ccccc1O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID743902,CCOC(=O)CSc1nc2ccc(N)cc2s1
+,,,,,,,,,,,,,0.0,,,,CID2108387,O=C(NNS(=O)(=O)c1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,CID2124093,O=C(COc1nncc2ccccc12)NCCC1=CCCCC1
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+,,,,,,0.0,,,,,,0.0,,,,,CID1133587,COc1ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2569620,O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,,,,,,,,,,,,,0.0,,,,CID679156,Nc1nc(=S)n(-c2ccccc2)[nH]1
+,,,,,,,,,,,,,,,0.0,,CID5309198,COc1cccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)c1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID2104722,CCCCOCCCNC1=NCCCCC1
+,,,,0.0,,,,,,,,,,,0.0,,CID1317186,CCc1nnc(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)s1
+,,,,0.0,,0.0,,,,,,,,,,,CID663443,Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1
+,0.0,,,0.0,,,,0.0,,,0.0,,,,,,CID4123591,O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2n(c1=O)CCS2
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+,,,,0.0,,,0.0,,,,,,,,,,CID3243783,Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)no1
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID3237013,CCCCN(CC)C(=O)Cc1c(C(=O)O)[nH]c2ccc(Cl)cc12
+,,,,,,,,,,,,,0.0,,,,CID2899493,Cc1ccc(CSCCNS(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2416484,Cc1cc(=O)oc2cc(OCC(=O)OCC(=O)NC(=O)NC(C)C)ccc12
+,,0.0,,,,,,,,,,0.0,,,,,CID644837,CCOC(=O)Nc1sc(=S)n(C)c1C
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+,,,,,,,,,,,,,0.0,,,,CID1616068,Cc1cccc(NC2=NC(=O)/C(=C\c3cccs3)S2)c1
+,,,,,,0.0,,,,,,,0.0,,,,CID4536409,O=C1C(O)CC2c3ccccc3CC3(CCCC3)N12
+,,,,,,,,,,,,,0.0,,,,CID2785069,O=c1cc(O)n(Cc2ccccc2)c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID3152835,O=C1OC(Nc2ccc(Cl)cn2)c2ccccc21
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+0.0,,,,,,0.0,,,,,,,,,,,CID2579543,COc1ccc(-c2nnc(SCc3cc(C)cc(C)c3)o2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID757551,Cc1ccc(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
+,,0.0,,,,,,,,0.0,,,,,,,CID5771285,Cc1ccc(C2C=C(c3ccccc3OC(F)F)N=C3N=CNN32)cc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID646885,CCCSC1=C(C#N)C(c2ccccc2C)CC(=O)N1
+,,,,,,,,,0.0,,,,,,,,CID1203947,COC(=O)c1ccccc1NC(=O)CN(c1cc(OC)ccc1OC)S(C)(=O)=O
+,,,,,,,,,,0.0,0.0,,,,,,CID1101797,O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1479067,O=Cc1ccccc1OCc1nnsc1Cl
+,,,,,,,,,,,,,,0.0,,,CID952234,O=C(Nc1ccc(Cl)cn1)c1ccc([N+](=O)[O-])o1
+0.0,0.0,0.0,,,,,,,,,,0.0,,0.0,,,CID2754,O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
+,,,,,,,,,0.0,0.0,,,,,,,CID1133053,CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1OC
+0.0,,,,,,,,,,,0.0,,,,,,CID648378,COc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID663786,O=C(O)c1cccc(OCc2ccccc2Cl)c1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID651867,Nc1c(NCCN2CCOCC2)c2ccccc2oc1=O
+0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,0.0,,CID3243169,O=C(Nc1nnc(/N=C/c2ccco2)s1)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID2157554,Cc1cccc(NC(=O)CS(=O)(=O)c2cn(C)c3ccccc23)c1C
+0.0,,,,,,,,,,,,,,,,,CID667303,Cc1[nH]c(N2CCN(c3ccccc3)CC2)nc(=O)c1Cc1cccc2ccccc12
+,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,0.0,0.0,CID649073,Cc1cccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID647136,CCc1c(C)nc2ncnn2c1Nc1ccc(C#N)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID4263090,CN1CCN(c2ccc(-c3ccc4ccccc4n3)cc2)CC1
+,0.0,,0.0,,,,,,,,,,,,,,CID5309788,Cc1cc(C)cc(NC(=O)c2nnn(Cc3cc(C)ccc3C)c2N)c1
+,,,,,1.0,,,,,,,,,0.0,,,CID6406850,CCSc1nnc(-c2sc3nnc(-c4ccccc4)c(-c4ccccc4)c3c2N)o1
+,,,,,,,,,,,,,0.0,,,,CID682836,CSc1ccn(Cc2c(Cl)cccc2Cl)c(=O)n1
+,,,,,,,,0.0,,,,,,,,,CID749586,Nc1cc(=O)nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID5887472,Cc1ccc(/C=C/c2nnc(-c3cccc(C)c3)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID658345,O=C(O)C(Cc1ccccc1)n1cnnn1
+,,0.0,,,,,,,,,,,,,,,CID3235712,COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccco2)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,,,CID644851,Clc1ccccc1-c1nc(-c2ccccc2)n[nH]1
+,,,,0.0,,,,,0.0,,,,,,,,CID658741,CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)C(C#N)=C(SCC(=O)NC(C)C)N1
+,,,,,,,,,0.0,,0.0,,,,,,CID893909,CS(=O)(=O)N1CCC(C(=O)Nc2ccccc2F)CC1
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+,,,,,,,,,,,,,,0.0,,,CID723732,CN(C)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1
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+,,,,,,,,,,,,,0.0,,,,CID5524597,NN/C(=C\[N+](=O)[O-])Nc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1265057,O=C(Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)c1cccnc1
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+0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,CID3240143,Cc1ccc(NC2c3ncccc3C(=O)N2c2ccccc2C)cc1C
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+,0.0,,,,,,,,,,,,,,,,CID3690582,CN1CCN(C(=O)C2CC(=O)N(c3ccc(F)c(Cl)c3)C2)CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID654685,O=C(COc1ccc(Cl)cc1)NC1CCSC1=O
+,,,,,,,,,,,,0.0,,,0.0,,CID604935,N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID6404590,Clc1cccc(Cc2ccc(Cl)nn2)c1
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+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3240508,CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID2941872,O=C(Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1)c1ccc(Cl)cc1
+0.0,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,,,CID2964434,CCOc1ccc(NC(=O)C2CC(=O)N(c3cc(C)cc(C)c3)C2)cc1
+0.0,,0.0,,,,0.0,,,,,,,,0.0,,,CID666851,O=C(NCCCN1CCCC1=O)c1nnc(Cc2c(F)cccc2Cl)o1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID976794,Cn1nnc2cc(C(=O)N3CCSCC3)ccc21
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID567982,CSCCC1NC(=O)NC1=O
+,,,,,,,,,,,,,0.0,,,,CID805045,CCCc1cc(=O)nc(SCC(=O)Nc2ccc(C)cc2)[nH]1
+,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,,CID791164,Cc1nnc(SCC(=O)NCc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID2049863,CCOc1cccc2sc(Cl)nc12
+,,,,,,,,,,,0.0,,,,,,CID4881526,CC(C)c1ccccc1-n1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID806492,O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID3125317,CCCCCCCC1CC(CSc2ncn[nH]2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID1152871,CC1CCN(S(=O)(=O)c2ccc(C(=O)NNC(=O)C3CC3)cc2)CC1
+0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID658552,C/N=c1\oc2ccc(Cl)cc2cc1C(N)=O
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID2225766,Cc1c(Cl)cccc1NC(=O)CSCc1cc(=O)[nH][nH]1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID665485,COc1ccc(CCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,,0.0,,,,,0.0,,,,0.0,,,0.0,,,CID648401,O=C1CNC(=O)c2c(nc3n2CCC3)N1
+,,,,,0.0,,,,,,0.0,,,,,,CID2966823,CCN(CC1COc2ccccc2O1)C(=S)Nc1ccccc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID645449,CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID3919738,CC1=C(C(=O)OCCc2ccccc2)C(c2cccc(Cl)c2)CC(=O)N1
+,,,,,,,,,,,,,0.0,,,,CID1913679,COc1ccc(CC(=O)N/N=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)cc1OC
+,,0.0,,,,,,,,,,0.0,,,,,CID5389980,O=C1C=CC=C/C1=C1\NNC2=C1C(c1ccccc1)N(Cc1ccco1)C2=O
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID1100808,COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccco4)cc3n2)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID828652,Cn1cccc1-c1nc2ccc(NC(=O)c3cccs3)cc2[nH]1
+,,0.0,,,,,,0.0,,0.0,,,,,,,CID3237479,COc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,CID2220531,Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)NCc3ccco3)c2c1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID3245071,O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID859907,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID6879271,Cc1ccc2c(c1)N/C(=C\C(=O)C(C)(C)C)C(=O)O2
+,,0.0,,,,,,,,,,,,,,0.0,CID3241415,CCn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21
+,,,,,,,,,,,,,,0.0,,,CID3305329,O=C(Oc1ccc([N+](=O)[O-])cc1)c1cncc(Br)c1
+,,,,,,,,,,0.0,,,,,,,CID735682,c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3243657,CCOC(=O)N1CCC(NC(=O)C(C)n2c3ccccc3c3cnn(C)c(=O)c32)CC1
+,,,,,,,,,0.0,,0.0,,,,,,CID666051,COC(=O)c1[nH]c2ccc(C)cc2c1NS(=O)(=O)c1ccc(F)c(C)c1
+,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,,,CID750241,CCSc1ncnc2c(C#N)c3n(c12)CCCCC3
+0.0,0.0,0.0,0.0,,0.0,1.0,,,0.0,,,,,,,,CID612806,CCc1nnc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)s1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID898593,Cc1ccc(/C=C/C(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6047790,O=C(/C=C/c1ccccc1)NC1CCCc2ccccc21
+,,,,,,,0.0,,,,,,,,,0.0,CID3237074,O=C(NCc1ccc2c(c1)OCO2)c1ccc(CS(=O)(=O)c2cccc(C(F)(F)F)c2)o1
+0.0,,,,,,0.0,,,,,,,,,,,CID1277248,COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1
+,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,CID653210,O=C(c1cccs1)N1CCC(c2nc3ccccc3s2)CC1
+,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,CID650522,O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2304936,CCc1nc(C#N)c(N2CCCCC2)o1
+,,,,,0.0,,,0.0,,,,,,,,,CID938952,CCc1nnc(NC(=O)CCC(=O)NCc2ccccc2OC)s1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID2524807,CN(Cc1cccs1)c1ncnc2sccc12
+0.0,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,CID2998293,COCCNC(=O)CSc1nc2c(n1-c1ccccc1)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID4376343,O=C(COc1cccnc1[N+](=O)[O-])Nc1ccccc1Sc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID661776,N#CC(C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1
+,,,,,,,,,,0.0,,,,,,,CID3168408,C=CCNC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2231092,COC(=O)c1ccccc1NC(=O)c1cnn2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID727009,O=C(/C=C/c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
+,,,,0.0,,,,,,,0.0,,,,,,CID2988903,COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCCC2)n1
+,,,,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,CID883585,O=C(NC1C2CC3CC(C2)CC1C3)C1CC1
+,,,,,,,,,,,,0.0,,,,,CID1146668,O=C(CN1CCOCC1)Nc1ccc(NC(=O)CN2CCOCC2)c(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID4064420,CC(c1ccco1)N(C(=O)Nc1ccccc1)C1CCCCC1
+,,,,,,,0.0,,,,,0.0,,,,,CID22783,O=C(O)COc1ccccc1O
+0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,,CID1107123,Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID5310256,NC(=O)c1oc2ccccc2c1NC(=O)C1CCCCC1
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+,0.0,0.0,,,,,0.0,,,,,,,,,,CID1250884,O=C(c1ccco1)N1CCN(C(=O)c2cnn3cccnc23)CC1
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+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID2155851,COc1ccc(OC)c(-c2nnc(SCC(=O)NC3CCCCC3)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID4048244,CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1
+,,,,,,,,,0.0,,,,,,,,CID644838,CCC(C)(C)NC(=O)CN(C(=O)c1snc(C(N)=O)c1N)c1ccc2c(c1)OCCO2
+,,,,0.0,,,,,,,,,,,0.0,,CID3000036,O=C1CCCC2=C1C(c1cn(-c3ccccc3)nc1-c1cccs1)c1c([nH]c(=O)[nH]c1=O)N2
+,,,,,,,,,,0.0,,,,,,,CID1097666,O=C(N/N=C/C(Br)=C\c1ccccc1)c1n[nH]c2c1CCC2
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+,0.0,,0.0,,,,,,,,,,,,,,CID659747,N#CC12C(N)=NC3(OCCO3)C1(C#N)C1=C(CCC1)NC2c1ccccc1
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+,,,,,,,,0.0,,,,,,,,0.0,CID2961838,CC(NC(=O)CC(O)(C(F)(F)F)C(F)(F)F)c1ccccc1
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+1.0,0.0,,,0.0,,,,,,,,,,,,,CID2085261,Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C
+0.0,,,,,,,,,,,,0.0,,,,,CID3237582,COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID662537,CCCCn1nc(NC(=O)c2cccs2)c2cc3ccccc3nc21
+,0.0,,,,,,,,,,,,,,,,CID3239386,Cc1c2c(n3c(nc4ccccc43)c1C#N)N(Cc1ccccn1)CC2
+0.0,,,,,0.0,,,,,,,,,,,,CID2057794,Clc1ccccc1OCCCCN1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID717089,N#CC(=C1CCCC1)c1nc(-c2cc3ccccc3oc2=O)cs1
+,,,,,,,,,,,,,,0.0,,,CID2496672,CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID3243304,Clc1cccc(N2CCN(CCNc3nc4ccccc4n4cnnc34)CC2)c1
+,,,0.0,,,,,,,,,,,,,,CID2983278,COC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(C)ccc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID1454147,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)C(=O)Nc1cccc(C)c1
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID2973470,Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)s1
+,,,0.0,,,,,,,,,0.0,,,,,CID718054,Cc1cc(C)c(NC(=O)NC(=O)c2ccc(F)cc2)c(C)n1
+,,,,,0.0,,,,,,,,,,,,CID1794118,CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,,,0.0,,,,,,CID2482310,CC(C)NC(=O)NC(=O)CSc1nnc(COc2ccccc2Cl)o1
+,,,,,,0.0,,,0.0,0.0,0.0,,,,,,CID2604334,O=C(Cn1c(=O)oc2ccccc21)N1CCN(c2ccccc2)CC1
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID277163,CCSc1n[nH]c(=O)[nH]c1=O
+0.0,,,,,,,,,,0.0,,0.0,,,,0.0,CID259483,O=C(c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1
+0.0,,,0.0,,,,0.0,,,,,0.0,,,,,CID662599,O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCCC2)C1
+,,,,,,,,,,,,,,,,0.0,CID2960655,CCOC(=O)C(C)Oc1ccccc1C1NC(=O)NC(C)=C1C(=O)Nc1ccc(C)c(C)c1
+0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,CID662230,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc2c(c1)OCO2
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,CID651254,COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)c3ccco3)s2)CC1
+,,,,,,,,,,,0.0,,,,,,CID989303,O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCOCC1
+,,,0.0,,,,,,,,0.0,,,,,,CID2266188,Cn1nnnc1SCc1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID3244937,O=C(CSCc1ccc(F)cc1)NC1CCCC1
+,,0.0,,,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,CID2087378,Cc1noc(C)c1COC(=O)CCOc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID646399,CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCCC(C)C)c1
+,0.0,,,,,,,,,0.0,,0.0,,,0.0,,CID3239749,Cc1ccc(Cn2nnc(C(=O)Nc3cccc(C)c3C)c2N)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID805886,C/C(Cl)=C/Cn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,CID2066253,CCCCCc1c(C)[nH]c(NCc2ccccc2)nc1=O
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID1312649,Cc1csc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)n1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2951053,O=C(CCSc1ccccc1)NCC1CCCO1
+,,,,0.0,,0.0,,,,,,,,,,,CID658163,CN(C)S(=O)(=O)Nc1ccc(NS(=O)(=O)N(C)C)c(S(=O)(=O)c2ccccc2)c1
+,0.0,,,0.0,0.0,,,,,,,,,0.0,,,CID2141383,NC(=O)c1oc2ccccc2c1NC(=O)c1nc2ccccc2s1
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+,,,,,,,,,0.0,,,,,,,,CID1008756,O=S(=O)(N/N=C/c1ccc(-c2ccccc2Cl)o1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4589550,CC1CCCC/C1=N\NC(=S)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2262551,NS(=O)(=O)c1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID965854,O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC1CCCC1
+,,,,,,,,,,,,,,,,0.0,CID755472,O=C(Nc1ccc(F)cc1F)c1ccco1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1490936,O=S1(=O)C=C(SCc2ccccc2)Nc2ccccc21
+,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID646940,CCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,0.0,0.0,,,,,,,CID2094679,COc1ccc(CNC(=O)COC(=O)C2=COCCO2)cc1
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID649319,Cc1cc(NC(=O)c2cccc(F)c2)ncc1NC(=O)c1ccco1
+,,,,,,0.0,0.0,,,,,,,0.0,,,CID3245747,O=C(Nc1ccc(-n2nncc2-c2ccco2)cc1)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID653860,CN(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)nc(N(C)C)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID650076,Cc1cc(-c2ccccc2)nc2cc(C(=O)NCCCn3ccnc3)nn12
+0.0,,,,0.0,,,,,0.0,,,0.0,,,,1.0,CID645632,O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID658436,CCOC(=O)CNC(=O)C(CO)NC(=O)OCc1ccccc1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID2608952,COc1ccccc1NC(=O)Cc1noc(CN(C)Cc2cccs2)n1
+,,0.0,,,,,,,0.0,,,,,,,,CID2862968,CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2950434,CCCOc1ccc(C(=O)c2nc3c(n2O)CCCCC3)cc1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3241250,COc1ccc(CCNC(=O)c2nnn(-c3ccccc3OC)c2N)cc1OC
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID667044,CC1=CC(C)(C)N2C(=O)C3(SCC(=O)N3c3ccc(O)cc3)c3cc(C)cc1c32
+,,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID2841616,CC1(C)CC(=O)C(=CNCCCn2ccnc2)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID16197239,CCCCC1CNC(=S)N1CCc1cccc(F)c1
+,,,,,,,,,,,0.0,,,,,,CID2426291,Cc1ccc2nc(SCC(=O)c3cc4ccccc4o3)[nH]c2c1
+,,,,,,,,,,,0.0,,,,,,CID2183846,CCn1c2ccccc2c2cc(NC(=O)c3cc(OC)c(OC)c(OC)c3)ccc21
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID650537,Cc1cccc2cc(CN(CCCN3CCOCC3)Cc3nnnn3C(C)(C)C)c(=O)[nH]c12
+0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,,,,,CID665465,Cc1cccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)c1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID934559,COC(=O)Cc1c(C)nc2nc(-c3ccco3)[nH]n2c1=O
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID3242763,Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,0.0,,,,,,0.0,CID2980951,CCOC(=O)C1=C(CNCCc2ccc(Cl)cc2)NC(=O)NC1c1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,,CID3244338,COc1ccc2[nH]c3c(=O)n(CCCCC(=O)NCCN4CCCC4)c(=S)[nH]c3c2c1
+,,,,,,,,0.0,,,,,,,,,CID1231039,CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)s1
+,,,,,,,0.0,0.0,,,,,,0.0,,,CID569941,CC1CN(C(=O)c2ccccc2)OC(c2ccc3c(c2)OCO3)O1
+,,,,,,,,,,,,,0.0,,,,CID2216141,COc1ccccc1OCC#CCSc1ncccn1
+,,,,,,,,0.0,,,,,,,,,CID1165982,Cn1c(Cn2nnc3ccccc32)nnc1SCC(=O)c1ccccc1F
+,,,,,,,,,,0.0,,,,,,,CID1131749,O=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
+0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,,CID972480,Cc1c(C(=O)Nc2ccncc2)oc2c1C(=O)CC(C)(C)C2
+,0.0,0.0,,,,,,,,,,,,,,,CID2932546,O=C(CN1CCCC1)Nc1ccc(-c2nc3cc(NC(=O)CN4CCCC4)ccc3o2)cc1
+,0.0,,,,,,0.0,,,0.0,,0.0,,,,,CID752158,N#Cc1cc2c(nc1SCC(=O)N1CCCCC1)CCCC2
+,,,,0.0,0.0,,,,,,0.0,0.0,,,,,CID656290,Cc1cccc(NC(=O)Cn2c(=O)oc3ccccc32)c1
+0.0,,0.0,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID1092906,Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ncccc2o1
+,0.0,,,,,0.0,,0.0,0.0,,,,,,,,CID686407,O=S1(=O)N=C(Oc2ccccc2)c2ccccc21
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID4327076,CCOc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID3244058,COc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2405889,CC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)ccc2C(C)C)c1C
+,,,,,,,,,,,,,0.0,,,,CID7207235,Cc1nnc(NC(=O)CSc2ccc(-c3ccco3)nn2)s1
+,0.0,,,,,,,,,,,,,,,,CID881442,CCN(CC)c1ccc(CNC23CN4CN(CN(C4)C2)C3)cc1
+,,,,,0.0,,,,,,,,,,,,CID453241,O=C1Nc2ccccc2Nc2ncccc21
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID755828,COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2)c1C#N
+0.0,,,,,,,,,,,0.0,,,,,,CID1036749,O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br
+,,,,,,,,,,,,,0.0,,,,CID1505853,COC(=O)Nc1nn(-c2ccc(C)cc2)c(=O)c(C#N)c1C
+,,0.0,,,0.0,,,,,,0.0,,,,,,CID3243792,CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccc(F)cc1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID649555,CC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4358416,Nc1nc(NCc2ccccc2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-]
+,,,,,,,,,0.0,0.0,,,,0.0,0.0,,CID2570816,O=C(OCc1nc2ccccc2s1)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
+,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,CID645620,Cc1nc2ccccn2c1C(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID1484079,O=C(c1ccc(Cl)cc1)c1cnc2ccccn12
+,,,,,,,,,,,,,0.0,,,,CID2524825,COc1ccccc1N1CCN(Cc2nc(=O)c3sccc3[nH]2)CC1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID3236616,COc1ccccc1-c1cc(C(=O)Nc2cccnc2)no1
+,,0.0,,,,,0.0,0.0,,,,,,,,0.0,CID1093755,O=C(c1cc(-c2ccccc2)on1)N1CCN(C(=O)c2ccco2)CC1
+,0.0,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,CID691831,COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID3753051,COc1ccc(NC(=O)c2sccc2-n2cccc2)cc1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID766332,Cc1cc(C)nc(N(C#N)Cc2ccccc2)n1
+,,,,,,,0.0,,,,,0.0,,,,,CID5307171,O=C(CN1C(=O)CSc2ncccc21)NCCN1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID585034,CCOc1ccc(CC2C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID644952,Cc1cc(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)no1
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID2370057,COc1ccc(NC(=O)CSc2ccccn2)cc1OC
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1478559,Cc1ccc2oc(-c3ccccc3)c(C(=O)O)c(=O)c2c1
+,,,,,,,,,,,,,,0.0,,,CID1458728,CCC(CC)C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)c(C)s1
+0.0,,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID3241529,Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
+,,,,,,0.0,0.0,,,,,,,,,,CID669875,CN(C)S(=O)(=O)N1CCC(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1227624,COC(=O)c1sc(NC(=S)NC(=O)c2cccc(C)c2)nc1C
+0.0,,,0.0,0.0,,0.0,,,,,,,,,,,CID3238949,Cc1ccc(CSC2=NCCN2C(=O)C2CC2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0,,CID1244386,Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID659460,C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID722034,O=C(O)CCC(=O)Nc1ccc(Br)c(Cl)c1
+0.0,,,,,0.0,,,,,,,0.0,,,,,CID3435090,CCOC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccc(N(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID3966275,CN(C)S(=O)(=O)c1cccc(NC(=O)CN2C(=O)NC(CCc3ccccc3)C2=O)c1
+,0.0,,,,0.0,,0.0,,,,,0.0,,,,,CID1913502,O=C(NCCO)c1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID1243945,COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(C)CC2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID884723,CCCC(=O)NC(=S)Nc1ccc(C(C)=O)cc1
+0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID5308657,COc1ccc(-c2nc(CS(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)c(C)o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3240233,CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1)c1cccc(C)c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID2366349,CCCn1c(N)c(Sc2ccc(Cl)cc2)c(=O)n(CCC)c1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID1257623,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCCCCC3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID663575,CCC1(C)Cc2ccccc2-c2nc3n(c(=O)c21)CCCCC3
+,,,,0.0,,,0.0,,,,,,,,,,CID3245754,COCCN1Cc2cccc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)c2C1=O
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID2919698,Cn1c(SCC(=O)N2CCOCC2)nnc1-c1ccc(NC(=O)c2ccccc2F)cc1
+,,0.0,,,,,,,0.0,0.0,,0.0,,,,,CID660113,CCOC(=O)c1sc(=S)n(CC)c1NC(=O)C1CC1
+,,,,,,0.0,,,,0.0,,,,,,,CID650582,O=C(NCc1ccco1)C(c1ccccc1F)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID4150285,CC(NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID2951643,COCc1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
+,,0.0,,,,0.0,,,,,,,,,,,CID558012,CC1(C)CC(=O)C(CC2=C(O)CC(C)(C)CC2=O)=C(O)C1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID1264902,CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1
+0.0,0.0,,,,0.0,,,,,,0.0,,,,,0.0,CID3000131,O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc2ccccc2c1
+,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID2990940,FC(F)(F)c1cc(-c2ccco2)nc(NCc2cccs2)n1
+,,,,,0.0,,0.0,0.0,,0.0,,,,,,,CID3242979,COc1cccc(C2=NOC(C(=O)Nc3cc(OC)c(OC)c(OC)c3)C2)c1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID3242146,NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID704124,Cc1c(C)n(C(=O)CSc2nc3ccccc3[nH]2)c2ccccc12
+,,,,,,,,,,0.0,,,,,0.0,,CID272217,COCCCNC(=O)c1ccc(C(=O)NCCCOC)cc1
+,,,,,,,,,,,,,0.0,,,,CID738234,O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccco1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID654933,COc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2380472,O=C(COC(=O)CCSc1ccc(Cl)cc1)NCCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2980658,CCc1ccccc1NC(=O)C(C)n1nc([N+](=O)[O-])c(Br)c1C
+,,,,,,,,,,,,,0.0,,,,CID16187644,COc1ccc(C(=O)C2CCCN(C(=O)C3=CCCC3)C2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID5310550,CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID2148465,Cn1c(NC(=O)CCc2ccccc2)cc(=O)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID3173505,O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1
+,,,,,0.0,,,,,,,,,,,,CID5389873,CCCOc1ccc(C2/C(=C(\O)c3c(C)[nH]c(C(=O)OC)c3C)C(=O)C(=O)N2CCN(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID3188047,CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,,0.0,CID664738,COc1ccc(C2C(C#N)=C(/N=C/N3CCN(C)CC3)OC3=C2C(=O)CC(C)(C)C3)cc1
+,,,,,,,,0.0,,,,,,,,,CID3158579,Cc1ccc(C(=O)C(C)Oc2cccc(NC(=O)c3ccco3)c2)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID650643,CC1=CC(=O)OC1Cc1ccncc1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID661582,Cc1cc(C(=O)O)c(CSc2ncn[nH]2)o1
+,,,,,,,,,,,,,,0.0,,,CID1899958,CCCCCCN1C=C/C(=C\C=C(C#N)C#N)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2266667,O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3743058,Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2
+,,,,,,,,,,,,0.0,,,,0.0,CID1148607,CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)cc1
+,,,,0.0,,,,,,,,,,0.0,,,CID2999966,Nn1cc(-c2ccccc2)nc1SCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,0.0,,,,,,,,0.0,,,CID5307923,CN1CCN(CCCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3s2)CC1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID3239903,Cc1ccc(-n2ncc3c(=O)n(-c4ccc(C)c(C)c4)c(C)nc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2939312,COc1cccc(C(=O)Nc2ccc(C3CC3(Cl)Cl)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID840404,CC(C)N1CCC(=NNC(=O)c2ccc(Br)o2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID1627306,CC(C)c1nnc(NC(=O)CCC(=O)NCc2cccs2)s1
+,0.0,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,CID2053134,Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2nccs2)c2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID7118245,COc1ccc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc1O
+,,,,,,,,,,,0.0,0.0,,,,,CID655268,CCOCCN1CCN(c2c(C)c(C)nc3cc(-c4cc(OC)cc(OC)c4)nn23)CC1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,,CID658730,Cn1c(=O)c2c(nc(Br)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O
+,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID2576650,O=C(CCCn1c(=O)oc2ccccc21)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID2216028,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)c([N+](=O)[O-])c1
+,0.0,,,,,,,0.0,,,,,,,,,CID2793015,CC1(CC(=O)O)C(=O)N=C2C=CC=CN21
+,,,,,0.0,,,,,,,,,,,,CID1748344,CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1c(-c2ccccc2)noc1C
+,,,,,,,,,,,0.0,,,,,,CID1818178,COc1cccc(CSc2nnc(CSc3nc4nc(C)cc(C)n4n3)s2)c1
+,,,0.0,,,,,,,,,,,,,,CID3244722,O=C(Nc1cccnc1)c1noc2c1CCCCC2
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID5308346,Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID5766646,COc1ccc(C(=O)/C=C/c2ccc(OC)c(Cn3nnc4ccccc43)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5708012,COc1ccc(Cn2c(/C=C/c3ccccc3)nc3ccccc32)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID3244713,COc1ccc(-c2nc(CN3CCC(C(=O)NC4CCCc5ccccc54)CC3)c(C)o2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID891303,CC(=O)Nc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1C
+,,,,,,,,,,,0.0,,0.0,,,,CID2767724,C=CCNC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,,CID795550,COc1ccc(C(=O)N2CCCC2)cc1
+,,,,0.0,,,,,,,,,0.0,,,,CID653082,O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCc1ccco1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID2999143,CCn1c(CCC(=O)Nc2cc(F)ccc2C)nc2cc(S(=O)(=O)N(C)C)ccc21
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID666959,COc1ccc2[nH]c(C(=O)O)c(NS(=O)(=O)c3ccc(Cl)s3)c2c1
+,0.0,,,,,0.0,,,,,,,,,,,CID1017393,Cc1c(NC(=O)Cn2cnc3c(=O)n(C)c(=O)n(C)c32)cccc1-c1nc2ccccc2o1
+,,,,,0.0,,,,,,,,,0.0,,,CID842495,O=C(COc1ccccc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2997619,O=C(c1cc2ccccc2oc1=O)N1CCSC1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1527277,Cc1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID662241,CCn1c(=O)c2c3c(sc2n2c(SCc4ccc(F)cc4)nnc12)CCCC3
+,,,,,,,,,0.0,,,,,,,,CID2586397,CCn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1cccs1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID739909,Cc1c(Cl)cccc1NC(=O)CCN1CCCCC1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID844198,COC(=O)c1sccc1NC(=O)c1ccc(OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID2886547,Cc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c([N+](=O)[O-])c1
+,,,0.0,,,,,,,,,,,,,,CID656371,COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Nc2ccc(Cl)c(N)c2)c1
+,,,0.0,,,,0.0,,,,,,0.0,,,,CID2201627,Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1
+0.0,,,,,,,,0.0,,,,0.0,,,,,CID897121,COc1cccc(C(=O)Nc2ccccc2N2CCOCC2)c1
+0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID2219483,O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)NCc1ccco1
+,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,,CID1157494,Cc1c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)oc2ccccc12
+,,,,,0.0,,,,0.0,,,,,,,,CID6296662,CC1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21
+0.0,,,,0.0,,0.0,0.0,0.0,,,,,,,,,CID649630,O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID1301813,Cn1nnnc1SCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2997781,CCN(CC)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2CN(C)C)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID2972770,Cc1nc2c(c(C)nn2-c2ccccc2)c(C)c1Cl
+0.0,,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID1360490,O=S(=O)(Cc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3976160,COc1cccc(NC(=O)Cn2c(=O)c3c(ncn3Cc3ccccc3)n(Cc3ccccc3)c2=O)c1
+,,,,,0.0,,0.0,0.0,,,,0.0,,,,,CID665933,COc1ccc2c(c1)c1ncn(Cc3ccco3)c(=O)c1n2C
+,,,,,,,,0.0,,,,,0.0,,,,CID3155161,CCOC(=O)C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1
+0.0,,,,,,,,,,,,,,,,0.0,CID2947885,C=CCn1c(NC(C)c2cc(Cl)ccc2O)nc2ccccc21
+,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,,CID1804684,COCc1cc(C)nc(SCC(=O)Nc2cccc(C)c2C)c1C#N
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID3589270,CC1CCCN(C(=O)c2ccc3c(c2)C(=O)N(CCC2=CCCCC2)C3=O)C1
+,,,,,,,,,,,,,,,,0.0,CID2827715,O=C(O)CSC1CC(=O)N(c2ccc(Cl)cc2)C1=O
+,,,0.0,0.0,,,,,,,,,,,,,CID2999744,Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)NC(=O)C2CCCN32)cc1C
+,,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID3371585,CC1CC(C)CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2nc3ccccc3o2)C1
+,,,,,,,,,,,,,0.0,,,,CID1615977,CC(=O)NCC(=O)OCC(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID651489,COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccc(C)n1
+,,,0.0,,,,,,0.0,,0.0,,,,,0.0,CID806744,COc1cccc(Oc2ccc(N)cn2)c1
+,,,,,,,,,,,,,0.0,,,,CID2829869,Cc1ccc(S(=O)(=O)c2nc(C)oc2N2CCOCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID803320,Cc1cc(OCC(=O)Nc2ccncc2)cc(C)c1Br
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID775074,Nc1ccc(C(=O)c2ccc3c(c2)OCCO3)cc1N
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID723698,O=c1[nH]c2ccccc2nc1-c1cccs1
+,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,CID700047,C=CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2197678,N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3)o2)sc2c1CCCC2
+,,,,,0.0,,,,,,,,,,,,CID5309620,CC(=O)N1CCc2cc(C(=O)CN3CCCCC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID5908320,O=C(NC1CCS(=O)(=O)C1)/C(=C\c1ccccc1)NC(=O)c1ccccc1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2832666,O=C(Nc1ccccc1)C1CC=CCC1C(=O)OCC1CCCO1
+,0.0,,,,0.0,,,,,0.0,,,,,0.0,,CID655541,O=C(CN(C(=O)CNC(=O)c1ccco1)c1ccc2c(c1)OCO2)NC1CCCCC1
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,,CID3159104,COc1cccc(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1
+,,,,,,,,,,,,,,0.0,,,CID2774357,CCOC(=O)c1noc(C)c1C(=O)Nc1cccc(F)c1
+,,,0.0,,,,,,,,,,,0.0,,0.0,CID666517,CCCC(=O)Nc1ccc2c(c1)nc1n2CCSC1
+,0.0,,,,,,,,,,,,,,0.0,,CID655678,CCCCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,0.0,CID3242967,O=C(C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1)N1CCC2(CC1)OCCO2
+,,,,0.0,,,0.0,,,,,,,,,,CID649525,Cc1ccc2c(c1)N(CC(=O)N1CCCCC1c1cccnc1)C(=O)CO2
+,,,,,,,,,,,,,,0.0,,,CID2878024,Cc1cc(C)nc(N/N=C/c2ccc(N3CCOCC3)cc2)n1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID2999466,CCn1c2ccccc2c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)nc21
+,,,,,,,,,,,,,,0.0,,,CID4453072,CCC(Nc1ccc(OC)cc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID2179906,CCCOC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID698409,COc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccc(C)cc12
+,,,,,,,0.0,,0.0,,,,,,,,CID650221,COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC
+,,,,0.0,,,0.0,,,,,,,,,,CID2104638,CCOC(=O)c1c(NC(=O)Cn2c(C)nc3ccccc32)sc2c1CCC2
+,,,,,0.0,,,,,,0.0,,,,,,CID746462,O=C(O/N=C1\CCSc2ccccc21)c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID777562,O=S(=O)(c1ccccc1)N1CCN(C2CCCCCCC2)CC1
+0.0,,,,,,,0.0,,,,,,,,,,CID88012,Nc1ccc2[nH]ncc2c1
+,,,,,,,,,,,,,0.0,,,,CID2496124,CSc1ccc(/C=C(/Sc2nnc(-c3ccccc3)o2)C(=O)O)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID665964,c1ccc2c(c1)ncn2Cc1nnc2sc(-c3ccc4c(c3)OCO4)nn12
+,,,,,,,,,0.0,,,,,,,,CID3238342,CC1CCCCC1NC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
+,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,0.0,CID647475,CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3383947,Cc1ccc(C(C(=O)Nc2ccc3c(c2)OCO3)N(C)C(=O)Cc2c[nH]c3ccccc23)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID1081338,C/C(Cl)=C/Cn1c(NCCN(C)C)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID4338884,Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID658408,Cc1ccc(N(O)C(=O)OCCNC(=O)Nc2ccccc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID666516,COC(=O)C1=C(N)Oc2cc(C)n(CC3CCCO3)c(=O)c2C1c1ccccc1OC
+,,,,,,,,,,,,,0.0,,,,CID2474510,Cc1ccccc1C(=O)N1CCC(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1511958,CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16196413,CC(C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1)N1C(=O)C2CC=CCC2C1=O
+,,,,,,,,0.0,,,,,,,,,CID2525930,COCc1cc(C(C)=O)ccc1OC
+0.0,,,,,,0.0,0.0,,0.0,,0.0,,0.0,,,,CID3244386,Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID5309719,COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1OC
+,0.0,,,,,,,0.0,,,,,,,,,CID697506,CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Cl)cc2)s1
+,,,,,,,,,,,,0.0,,,,,CID647098,CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3635103,CCC(C)NC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID5637091,c1ccc(C2=C(c3ccco3)NNC2=C2N=c3ccccc3=N2)cc1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID654325,CN(C(=O)c1ccc(NC(=O)c2cnccn2)cc1)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1471352,Cc1ccc(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1476798,COCc1cc(Sc2ccc(Cl)cc2)nc(C)n1
+,,,,,,,,,,0.0,,,,,,,CID644823,Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)Cc3nnnn3CCN3CCOCC3)cc2c1
+,,0.0,,,,,,,,,,,,,0.0,,CID650863,CC(=O)Nc1cccc(-c2cnc3ccccc3n2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2148551,CCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1
+0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,,0.0,CID2354442,O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
+0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID1245305,COC(=O)Nc1c(C)nn(Cc2ccccc2C)c1C
+,,,,,0.0,,,,0.0,,,,,,,,CID9550688,O=c1sc(N2CCN(c3ccc(F)cc3)CC2)nc2ccsc12
+,,,,,,,,,,,0.0,,,,,,CID5309969,COc1ccc(N2CCN(C(=O)c3ccc(CNc4c(N5CCOCC5)c(=O)c4=O)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1417541,COc1ccccc1N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1
+,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,,CID2221315,O=C1CCC(=O)N1OCCCCOc1ccccc1
+,,,,,0.0,,,,,,,0.0,,,,,CID3239515,COC(=O)c1cc(-c2ccc(OC)c(OC)c2)n[nH]1
+,,0.0,,,,0.0,0.0,,,0.0,0.0,,,,,,CID645790,Cc1ccn2cc(-c3nonc3C)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID3821759,COc1ccc(C2SCC(=O)N2c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID3239972,O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccc(Cl)cc2)CC1
+,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0,CID761910,O=c1c2ccccc2nc2n1CCN2Cc1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,,,,,CID5745,CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(=O)CC21C
+,,,,,,0.0,0.0,,,,,0.0,,,,0.0,CID2999974,NC(=O)COC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccccc1F
+,,,,,,,,,0.0,,,,,,,0.0,CID2999214,CC1CN(C(=O)c2cn(-c3ccccc3)nc2-c2cccs2)CC(C)O1
+,,,,0.0,,,0.0,,,,,,0.0,,,,CID3244467,Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCOCC3)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3244909,O=C(Cn1cnc2c(nnn2Cc2ccc(F)cc2)c1=O)NCc1ccco1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID829973,NC(=O)c1ccccc1OCC(=O)NS(=O)(=O)c1ccccc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID661659,CCOC(=O)CNC(=O)Nc1ccccc1C(=O)OC
+0.0,,,,,,,0.0,0.0,,,,,0.0,,,,CID2938885,O=S(=O)(NCC1CCCO1)c1ccc(Oc2ccccc2)cc1
+,,0.0,,,,,,,0.0,,,,,0.0,,,CID1332056,O=C(c1ccsc1)N1CCN(C(=O)c2cccs2)CC1
+,,,0.0,,,,,,,0.0,,,,,,,CID1252030,Cc1cc(NC(=O)c2cnn3cccnc23)nn1CC(=O)Nc1cccnc1
+,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,CID648840,O=C(NCc1ccc(N2CCCC2=O)cc1)c1cn(Cc2ccccc2)nn1
+0.0,,,,,,,,,,,0.0,,,,,,CID661258,COC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1
+,,,,,,,,,,0.0,,,,,,,CID1405137,O=C1C(N2CCOCC2)=C(n2nnc3ccccc32)C(=O)c2ccccc21
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID1246995,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Cc3cccs3)cc2)no1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID836073,O=C(Nc1cccc2cccnc12)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,,,,CID2055744,Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccccc1
+,,0.0,,,,,,,,,,,,,0.0,,CID5310462,Cc1cc(NC(=O)CN2CCN(Cc3ccccc3)CC2)nc2c1c(=O)oc1ccccc12
+,,,,,0.0,,,,,,,,0.0,,,,CID1019167,CSc1cccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2369615,CCOc1ncccc1C(=O)OCc1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID661682,COCCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21
+,,,,,0.0,,,,,,,,,,,,CID6402446,Cc1cc2nnn(-c3nnc(-c4ccccc4)c4ccccc34)c2cc1C
+,,,,,,,,,,,,,,0.0,,,CID884225,CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1N
+,,,,,,,,,,,,,0.0,,,,CID1217718,O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID5308552,CN(C)c1ccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc1
+,,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,0.0,,CID971345,CCOC(=O)c1cccc(N2C(=O)c3ccccc3S2(=O)=O)c1
+,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,,CID912578,COc1ccc(-c2noc(-c3cc(C)cc(C)c3)n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2262098,COc1cccc(OC)c1OCCCCOc1c(OC)cccc1OC
+,,,,,,,,,,,,,,0.0,,,CID1338143,Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3cccnc3)C2=O)cc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID935668,COc1cc(S(=O)(=O)N(C)C)ccc1Br
+,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID768406,CCN(CC)CCn1c(OC)cc(=O)[nH]c1=O
+,,,,,,,,,,,,,,,0.0,,CID2179252,C=CCn1c(=O)n(/C=C/C)c2cccc3cccc1c32
+,,,0.0,,,,,,,,,,,,,0.0,CID2387668,COc1ccccc1C(=O)OCC(=O)Nc1ccc(OC(F)F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2891948,Cc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)s1
+0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,,0.0,CID712506,O=C(COc1ccccc1)N1CCN(Cc2c[nH]c3ccccc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID4373492,CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c1C
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID659192,Cc1[nH]c2ccccc2c1CCO
+,,,,,,,,0.0,,,,,,,,,CID2054793,COC(=O)CCS(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,CID768866,CCc1ccc(NS(=O)(=O)c2cc(OC)ccc2OC)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID1600110,Cc1c(C)[n+](=O)c(-c2cccs2)c(C)n1[O-]
+,,,,,,,,0.0,,,,,,,0.0,,CID757542,O=C(c1ccc(F)cc1)c1cc2ccccc2o1
+,,,,0.0,,0.0,,,,,,,,,,,CID397115,NC(=O)c1cc2ccc(=O)cc-2oc1Nc1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2845444,COc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1
+,,,0.0,,,,,0.0,,,,,,,,,CID2362189,O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)NCCC1=CCCCC1
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID648003,O=C(Nc1ccccn1)c1ccc(NC(=O)c2ccco2)cc1
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+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID937078,CCOC(=O)CSc1nnc(-c2ccncc2)o1
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+,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,,CID2235959,CCN(CC)CCNC(=O)c1ccccc1C(=O)c1ncc[nH]1
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+,,0.0,,,,,,,,,,,,,,,CID5310561,CCOc1ccccc1-c1nc(C(N)=O)c2[nH]c(=O)n(-c3ccc(F)cc3)c2n1
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+,,0.0,,,,,,,,,,,0.0,,,,CID2091546,CCn1c(SCC(=O)NCCc2ccc(Cl)cc2)nnc1-c1cccs1
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+,,,,,0.0,,,,,,,,,,,,CID2880682,CCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)c1
+,,,,,,,,,,,,,0.0,,,,CID2403694,CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)NC(C)C)c1C
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+,,,,,,,,,,,0.0,,,,,,CID705122,O=C(Cn1c(=O)sc2ccccc21)Nc1ccccc1
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+,,0.0,,,,,,,0.0,,,,,,,,CID3238649,CCOC(=O)Cn1c(N)c(C(=O)OC)sc1=S
+,0.0,,,,,,,,,,,,,,,,CID3244238,CC(C)(C)n1ncc2c(=O)n(CC(=O)c3ccccc3)cnc21
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,,CID5308469,CC(NC(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,0.0,,,0.0,,,,,CID5769577,CC1=CC2=c3ccccc3=NC(c3ccc(O)cc3)N2N1
+,,,,,,,0.0,,,,,,,,,,CID5771370,CCCC1=C2C(=NC(N)=C(C#N)C2c2ccoc2)ON1
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+,,,,,,,,,,,,,0.0,,,,CID2389587,O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1
+,,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,CID977492,CC1CCN(C(=O)c2cc3ccccc3o2)CC1
+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID844907,COc1ccccc1NC(=O)CSc1nc2ncccc2[nH]1
+,0.0,,,,,,0.0,,,0.0,0.0,,,,,,CID646299,CCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,0.0,,,,,,,,,,,CID3242589,CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1
+,0.0,,0.0,,0.0,,,,0.0,,,,,,,,CID648481,CSc1nc2nc3c(c(=O)n2[nH]1)CN(Cc1ccccc1)CC3
+,,,,,,,,,,0.0,,,,,,,CID830424,Cc1ccc2oc(C(=O)Nc3nnc(C)s3)c(C)c2c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID1978203,CC1=CS/C(=C(/C#N)C(=O)N2CCOCC2)N1c1ccccc1
+,0.0,0.0,,,0.0,,,,,,,,,,,0.0,CID1917592,CC1(C)Cc2ccccc2-c2nc(NCCCO)n(-c3ccccc3)c(=O)c21
+,,,,,,,,,0.0,,0.0,,,,,,CID848926,O=c1c2c[nH][nH]c-2nc(=S)n1-c1ccccc1
+,,,,,0.0,,0.0,,,,,0.0,,,0.0,,CID5308971,CCOc1ccc(N(CC(=O)Nc2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)cc1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID1242291,Fc1ccccc1CSc1nnc(-c2cnccn2)n1Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2326678,Cc1nc(C)c(C(=O)NNC(=O)c2ccc(Br)cc2)s1
+,,,,,,,,,,0.0,,,,,,,CID1072563,Cc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccccc3)CN2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2948195,CCC(=O)NCCc1nc2ccccc2n1Cc1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID4385691,O=C(COC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1)NCC1CCCCC1
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,0.0,CID2229300,COc1ccccc1N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1
+,,,,,,0.0,,,,,,,,0.0,,,CID856392,Cc1cc(C)n(CC(=O)NC2CCCCC2)n1
+0.0,,,,0.0,,,,,,0.0,,,,,,,CID662251,CCOc1ccc(C2=Nn3c(nnc3-c3ccccn3)SC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3777955,O=C(O/N=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1Cl
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID937133,CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2873325,O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID1370948,O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID652301,O=C(CSc1nnc(Cn2nnc(-c3ccccc3)n2)n1-c1ccccc1)Nc1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2376550,CCN(CC)S(=O)(=O)c1cc(C(=O)NC2=NCCS2)ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1309875,C=CCN1C(=O)/C(=C\c2cc(Br)c(OCc3ccccn3)c(OC)c2)SC1=S
+,,,,,,,,,,,,,0.0,,,,CID801024,O=C(Cc1ccc(Cl)cc1)N/N=C/c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID97218,Cc1cc(=O)nc(N2CCOCC2)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2769133,CCOC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1-c1ccccc1
+,,0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,CID3235835,Nc1c(S(=O)(=O)c2ccccc2)nnn1-c1ccccc1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID2998826,CCCCc1nc2ccccc2n1Cc1nnc2n1-c1ccccc1SC2
+0.0,0.0,,,,,,0.0,,,,,,,0.0,,,CID666950,COc1cc2c(cc1OC)CN(C(=O)C1(c3ccccc3)CC1)CC2
+,,,,,,,,,,,0.0,,,,,,CID5434181,Cc1ccc(OCC(=O)NN/C=C2\C=NN=C2c2ccc(Cl)c(Cl)c2)cc1
+,,,,,,,,,,,0.0,0.0,,0.0,,,CID980133,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cn(-c2ccccc2)nc1-c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID765694,O=C(O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID773427,O=C(Nc1ccc(Cl)cc1)c1ccc2nsnc2c1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,CID644551,COCCSc1nnc(NC(=O)Cc2ccccc2OC)s1
+,,,,,,,,,0.0,,,0.0,,,,,CID5390078,CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2NC=NC2=N1
+,,,,,,,,,,,,,,0.0,,,CID912926,Cc1cc(C)c(C#N)c(SCc2ccccc2C)n1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID983895,C=CCn1c(SCc2csc(C)n2)nc2scc(-c3ccc(C)o3)c2c1=O
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID661100,Cc1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)o1
+,,,,,,,,,,,0.0,,,,,,CID780197,COc1ccccc1CN1CCN(C(=O)c2ccncc2)CC1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID1286385,Cc1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,CID883876,COc1ccc(CNC(=O)C2CCNCC2)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID652573,COc1ccc2[nH]c(=O)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1
+0.0,,,0.0,0.0,0.0,,,,,,,,,,,,CID3239381,COC(=O)C1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1
+,,,,,,,,,,,,,0.0,,,,CID843908,Cc1cccc(-n2c(-c3csc4ccccc34)n[nH]c2=S)c1
+,,,,,,,,,,,,,,0.0,,,CID2080785,CCNC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID694100,COC(=O)CN(c1c(C)cccc1C)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID4259169,O=C(Nc1ccc2nc3n(c(=O)c2c1)CCCCC3)c1ccccc1Cl
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2083990,O=C(CN1C(=O)CCC1=O)Nc1ccc(Br)cc1
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID3245163,CCOCCCNC(=O)C1CCCN(S(=O)(=O)CC)C1
+,0.0,,0.0,,,,,,,,0.0,0.0,,,,,CID648308,Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)oc1C
+,0.0,,,,0.0,,,,,,,,,,,,CID1158045,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1990301,Cc1cc(C)c2c3c(sc2n1)C(=O)N(Cc1ccccc1)CC(=O)N3
+,,,,,,,,0.0,,,,,,,0.0,,CID3239439,CCCCOC(=O)c1ccc(OC(=O)c2cccnc2)cc1
+,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID884161,COc1ccccc1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1
+,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,,CID2118241,CCOc1ccc2nc(SCc3ccc(C(=O)OC)o3)[nH]c2c1
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID2262399,Cc1cc(OCCNCCO)cc(C)c1Cl
+,,,,,,,,,,,0.0,,,,,,CID867220,CC/C(=N\NS(C)(=O)=O)c1ccccc1
+,,,0.0,,,,0.0,,,,,,,,,,CID653484,CC1(C)OC(=O)C(=CNc2ccc(F)cc2)C(=O)O1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID2999774,c1cc2c(cc1-c1cnc3n1CCC3)OCCO2
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID654951,Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)NC1CCCCC1
+,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,CID1092921,CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID6224313,O=C1C=CC(=CNNc2nc3ccccc3c(=O)n2O)C=C1
+,,,,,,,,0.0,,,,,,,,,CID2853675,CC1CN(S(=O)(=O)Cc2ccccc2)CC(C)O1
+,,0.0,,,,0.0,,,,,,,,,,,CID659237,Cc1cc(=O)oc(C)c1C(=O)NCC(C)NC(=O)c1c(C)cc(=O)oc1C
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID2960876,CSc1nnc2c(n1)OC(C)=Nc1ccccc1-2
+,,,,,,,,,0.0,,,,,,,,CID845567,Cn1c(=O)c2c(nc(Oc3ccc4ccccc4c3)n2C)n(C)c1=O
+,0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0,CID647317,COc1cccc(OCc2nnc(SC)n2C)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID2128293,CCOC(=O)Nc1ccc2c(CN3CCN(S(=O)(=O)c4ccccc4)CC3)cc(=O)oc2c1
+0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,,,CID3244359,O=C(CSc1nccc2ccccc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,0.0,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,CID3240065,Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1
+,,,,,,,,0.0,,0.0,,,,,,,CID2542352,CCc1nnc(NC(=O)Cn2c(=O)oc3ccccc32)s1
+,,0.0,,,,,,,,0.0,,,,,,,CID666291,Cc1ccc2c(c1)CC1(CN2C)C(=O)OC2(CCCCC2)OC1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID3242397,CCC1CCCCN1C(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C
+,,,,,,,,,,,,0.0,,,,0.0,CID3236976,O=C(Cn1cnc2c(oc3ccccc32)c1=O)NCc1ccco1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID2107599,CC(C)CNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
+,,,,,,,,,,,,0.0,,,,,CID711270,CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID954208,Cc1cc(C)c(S(=O)(=O)N(CC(=O)O)C2CCCCC2)c(C)c1
+,,,0.0,,,0.0,,,,,,,,,,,CID724225,CC(=O)Nc1sc2c(c1C(=O)N1CCOCC1)CCCCC2
+,,0.0,,,,,,,0.0,,,0.0,,,,0.0,CID2649814,Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C
+,,,,,,,,,0.0,,,,,,,,CID9551331,Cc1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)n1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID649093,CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,0.0,,,,,0.0,,,,CID763606,CN1CCN(Cc2ccccc2C(F)(F)F)CC1
+,,0.0,,,,0.0,,0.0,0.0,,,0.0,,,,,CID659168,O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1555503,CCCCOC(=O)CNc1n[nH]c(=S)[nH]c1=O
+,,,,0.0,,0.0,,,,,,,,,,,CID2361764,CCOC(=O)Cc1csc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)n1
+,,,,,,,,0.0,,,,0.0,,,,,CID3235906,CCOCCCNC(=O)C(NC(=O)c1cnccn1)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID4064819,COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1OC
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID3239638,COc1ccc(Cl)cc1NC(=O)Cn1cccc1
+,,,,,,,,,,,,,0.0,,,,CID673767,COc1ccc(OC)c(/C=C2/Sc3ccccc3C2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1989353,Cc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1
+,,,,,0.0,,,,,,,,,,,,CID1229475,Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)n1
+,,,,,,,,0.0,,,,,0.0,,,,CID2472113,C=CCn1c(SCC(=O)Nc2sccc2C(N)=O)nc2sc(CC)cc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID3477686,N/C(=N\OC(=O)c1ccccc1[N+](=O)[O-])c1ccccn1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID2896732,CCOC(=O)c1ccccc1NC(=O)CC1Nc2ccccc2NC1=O
+0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,,CID2224046,Cc1ccc2c(c1)sc1ncc(NC(=O)c3ccccc3)c(=O)n12
+0.0,,,,,,0.0,,,,,0.0,,0.0,,,1.0,CID1017508,CCOc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)cc1Br
+0.0,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,CID972295,Cc1cccc(NC(=O)c2oc3c(c2C)C(=O)CC(C)(C)C3)n1
+0.0,,,,,,,,,,,,,,,,0.0,CID3239275,CCN1CCN(C(=O)c2nn(-c3ccc(C)cc3)c(=O)c3c2c2ccccc2n3C)CC1
+,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,,,CID2128632,COc1cc(CCC(=O)OCc2nnc(-c3ccccc3)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID3650920,Cc1ccc(S(=O)(=O)Oc2ccc(N3C(=O)C4C5CCC(C5)C4C3=O)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID749908,COc1ccc(C(=S)Nc2ccc(N(C)C)cc2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID3243283,CCN1CCCC1CNC(=O)CSCc1nc(-c2ccccc2C)oc1C
+,,0.0,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,CID2228841,CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID2197281,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCCC4)cc2)c1C
+0.0,,,,,,0.0,0.0,0.0,,,,,,,,,CID651914,Cc1c(N2C(=O)c3ccccc3C2=O)c(=O)n(-c2ccccc2)n1C
+,,0.0,,,,,,,,,0.0,,,,,,CID2901229,CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccncc2)C2=C(CCCC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID711428,CCOC(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID5308683,O=C(NCCN1CCN(c2ccccc2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
+0.0,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID2863224,COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID6619899,CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2863233,CCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1[N+](=O)[O-])OCO2
+,,0.0,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,CID654824,COc1cc2nc(C3CCC3)n(NC(=O)C3CCC(OC)CC3)c(=O)c2cc1OC
+,,,,,,,,,,0.0,0.0,0.0,,,0.0,,CID2098603,Cc1cc(C(=O)CSc2nnnn2C)c(C)n1-c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID4879964,O=C(COC(=O)c1ccc[nH]c1=O)NCCc1ccc(F)cc1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID4557441,CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1537537,COc1ccc(/C=C/C(=O)N2CCCC2)cc1OC
+,,0.0,,,,,,,,,,,,,0.0,,CID3242539,C=C(C)Cn1c(CCCNC(=O)CC)nc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID1090979,COc1cccc(-c2cc(C(=O)O)no2)c1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID3218725,COc1ccc(C(=O)NC2CCN(C(=S)Nc3cccc(C)c3C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4970140,CCn1c(C)cc2c(c1=O)C(c1ccccc1)C(C(=O)OC)=C(N)O2
+,,,,,,,,,0.0,,,,,,,,CID4063911,CCOC(=O)c1c(NC(=O)c2c(C)noc2C)sc2c1CCCCC2
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3237387,CC(=O)N1c2c(cc(Br)cc2S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)CC1C
+,,,0.0,,,,0.0,,,,,0.0,,1.0,,,CID1121978,Cc1onc(-c2ccccc2)c1C(=O)n1nnc2ccccc21
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID4175398,O=C(CCC1CCCC1)c1c(O)oc2ccccc2c1=O
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1975033,O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccccc2)no1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID5309357,COc1ccc(C2CC(c3cccc(OC)c3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2905682,COc1ccc(CC(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1487126,Cc1ccc(-c2n[nH]c3c2CCC3)cc1
+,,,,,,,,,,,,0.0,,,,,CID3236424,O=C(CCNC(=O)Cn1cnc2ccccc2c1=O)NCCC1=CCCCC1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3243621,COc1cc(OC)cc(C(=O)NCc2n[nH]c(=S)n2-c2ccccc2)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID2096424,CCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccs1
+,0.0,,0.0,,,,,,,,,,,,,,CID2330063,CC(=O)c1sc(NC(=O)CN2C(=O)CCC2=O)nc1C
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,CID651626,Cc1ccc2c(c1)N(CC(=O)N(Cc1ccc3c(c1)OCO3)CC1CCCO1)C(=O)C(C)O2
+,,,,,,,,,0.0,,,,,,,,CID1246448,Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)s2)o1
+0.0,,0.0,,0.0,,,,0.0,,,,,,,,,CID3237967,Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccco2)c(=O)c2ccccc21
+,,,,,,,,0.0,,,,,,0.0,,,CID2698170,Cc1ccc(NC(=O)CN(C)Cc2nc(=O)c3ccccc3[nH]2)c(Br)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID3131820,CC(C)Oc1ccc(C2CC(=O)N(c3ccc(N(C)C)cc3)C2=O)cc1
+,0.0,1.0,,,,,,,,0.0,0.0,0.0,,,,0.0,CID659623,Fc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1
+,,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,CID1252622,COc1ccc(Cc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1
+,,,,,,,,,,,,,,,,0.0,CID5310094,CCCc1nc(SCC(=O)Nc2ccccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1
+0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,,,CID2119780,Cn1c(SCCOc2ccc(Cl)cc2)nnc1-c1ccncc1
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID1420592,COc1ccc(Nc2ncnc3c2cnn3-c2cccc(C)c2)cc1OC
+,,,,,,0.0,0.0,,,,,,,,,,CID1380741,COc1ccc(-c2nnc(-c3ccc(N)cc3)o2)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID654085,CC(=O)C1=C(O)C(=O)N(CO)C1c1ccccc1F
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID2999502,Cc1ccc(NC(=O)COC(=O)C2CC2C)c(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID2999234,c1ccc(Nc2nc3ccccc3[nH]2)nc1
+0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,CID665066,COc1ccc(CCNC(=O)CSc2ncnc3c2oc2ccccc23)cc1OC
+0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,CID2698824,CN(CC(=O)Nc1ccc(C#N)cc1)Cc1ccc(Cl)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1012381,O=S(=O)(NN=C1CCCCCCC1)c1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID2131503,O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID3244374,COc1ccc(-c2ccc(=O)n(CC(=O)NCc3ccco3)n2)cc1
+0.0,0.0,,0.0,,,,,,,0.0,0.0,0.0,,,,,CID647612,O=C(Nc1ccccc1N1CCCCC1)c1ccc2nccnc2c1
+,,,,,0.0,,,,,,,,,,,,CID1885415,Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(C)C)C3=O)c(NCCCOC(C)C)nc12
+,,0.0,,0.0,,,,,,,,,,,,,CID3242733,COc1ccc(NC(=O)Nc2cccs2)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID706495,CNS(=O)(=O)c1cccc2cccnc12
+0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID2947404,COCc1nc2ccccc2n1CCCOc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3112912,COc1ccc(Cl)cc1NC(=O)C/C(C)=N/NC(=O)CC#N
+0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID2887097,O=C1C=C(NCc2ccc(Cl)cc2)CC(c2ccco2)C1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID700979,N#Cc1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1996373,COc1ccc(Cn2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID3399880,CC(Sc1nc2c(cc1C#N)CCCCC2)C(=O)O
+,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID3240331,O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NCc3ccco3)C(=O)N12)NCC1CCCO1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,,,CID654585,O=C(NCC(=O)N(c1ccccc1)C(C(=O)NC1CCCCC1)c1ccncc1)c1ccco1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID973635,CCn1cc(Br)c(C(=O)Nc2ccc(OC)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2453399,O=C(COC(=O)c1cc2ccccc2cc1O)Nc1cccnc1Cl
+,,,,,,,,,,,,,,0.0,,,CID784200,O=C(NC(=S)N1CCOCC1)c1cc2ccccc2o1
+,,,,0.0,,,,,,0.0,0.0,,,,0.0,,CID3241304,CCOC(=O)c1sc2nc(SCC#N)n(CCCN3CCCC3=O)c(=O)c2c1C
+,,,,,,,,0.0,,,,,,,,,CID1818523,CCCCC(=O)Nc1ccccc1C(=O)N1CCOCC1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID2601734,Nn1c(SCC(=O)NC(=O)NCc2ccccc2)nnc1C1CC1
+,,,,,,,,,,,,,,0.0,,,CID1345060,Cc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]
+0.0,,,,,,0.0,,0.0,,,,,0.0,,,,CID963167,O=C(c1ccccc1)c1cn(CC(=O)N2CCOCC2)c2ccccc12
+,,,0.0,,,,,0.0,,,,,,0.0,,,CID656155,CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2Cl)cc1
+,,,,0.0,,,,,,,,,,,,,CID2833394,CCC1(C)CC(c2csc(N)n2)CCO1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID805390,c1ccc(CSc2nnc(-c3ccncc3)o2)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID647335,C=CCn1c(NCCO)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID654819,CC(C)n1c(SCC(N)=O)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3245150,CCC(=O)Nc1c(C(=O)Nc2cccc(OC)c2)oc2ccccc12
+,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID644726,CCCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccncc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID987053,Cn1c(=O)c2c(nc(SCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O
+0.0,,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID654915,O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)C1CCCCC1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID647669,NS(=O)(=O)c1ccc(NC(=O)CSc2ccccn2)cc1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID2942729,Cn1nnc2cc(NC(=O)N3CC4(C)CC3CC(C)(C)C4)ccc21
+,,,,,,,,,,,,,,0.0,,,CID4048624,COCCn1/c(=N/C(=O)c2cccs2)sc2cc(NC(C)=O)ccc21
+0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,CID654453,CC1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4ccco4)c23)C1
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID3241016,COc1cc2c(cc1OC)C(C(=O)Nc1ccc3c(c1)OCCO3)C(c1cccnc1)N(C)C2=O
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID647568,CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID3236514,O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCCC2)CC1
+,,0.0,,,,,,,,,,,,,,,CID660336,CC1(C)Cc2nc3sc4c(N(CCO)CCO)ncnc4c3cc2CO1
+,,,,,,,,,0.0,,,,,,,,CID5307538,O=C(NCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O
+,,,,,,,,,0.0,,,,,,,,CID5310410,Cn1c(=O)c2c(SCc3ccccc3)nc(-c3ccco3)nc2n(C)c1=O
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID3242830,COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCC(C)C)c(=O)c3c2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID3239988,CC12CC(NC(=O)N1CCc1ccccc1)c1ccccc1O2
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID3239813,CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4cccc(OC)c4)nn(C)c3s2)CC1
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+,0.0,,,,,,,0.0,0.0,0.0,,,,,,,CID1296326,CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
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+,0.0,,,,0.0,,,,,,,0.0,,,,0.0,CID3237152,O=CN1CCN(C(C(=O)NC2CCCC2)c2ccc(Cl)cc2)CC1
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+,,,,,,,,,,,0.0,,,0.0,,,CID901020,O=C(NNc1cccc(Cl)n1)Nc1ccccc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID1256896,CCOC(=O)c1c(NC(=O)c2ccc(-n3cnnn3)cc2)sc2c1CCCC2
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+,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID648192,Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CS(=O)CC(=O)Nc2ccc3c(c2)OCO3)c1
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+,,,,,0.0,,,,,,,,,,,,CID5344692,O=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1cccs1
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+,,,,0.0,,,,,,,,,,0.0,,,CID2149720,Nc1[nH]c(SCC(=O)OCc2ccccc2)nc(=O)c1NC(=O)c1ccco1
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID5308558,COc1ccc(-c2nc(CS(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID828956,CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1[N+](=O)[O-]
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+,,,,,,,,,,,,,0.0,0.0,,,CID758596,Cc1ccc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)o1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID662175,C/C(Nc1ccc(F)cc1)=C(/C#N)C(N)=O
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+,,,,,,,,,,,0.0,,,,,,CID1481501,COc1ccc(CNC(=O)/C=C/c2cc3c(cc2Br)OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID1362095,BrC(=C\c1ccccc1)/C=N/N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,,,,0.0,0.0,,0.0,,CID2117624,Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(CCC(C)C)C(=O)N3)c1
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+,,,,,,,,,,,,,0.0,,,,CID2896625,COC(=O)c1c(NC(=O)CC2Nc3ccccc3NC2=O)sc(C)c1C
+,,,,,,,,,,,,,,,0.0,,CID5389269,CCOC(=O)/C(C#N)=C(\N)C(C)C(=O)Nc1ccccn1
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3334,COC(=O)Nc1nc2ccc(Sc3ccccc3)cc2[nH]1
+,,,,,,0.0,0.0,,,,,,,,,,CID2841856,O=C(c1ncc[nH]1)c1ccccc1C(=O)N1CCOCC1
+0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID2529898,CCn1c(SCC(=O)NCCOC)nc2sc3c(c2c1=O)CCCC3
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+0.0,,,0.0,,,,,,,,,,,,,0.0,CID2940948,O=C(Nc1ccccc1C(=O)NCC1CCCO1)c1ccco1
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+,,,,,,,,0.0,,0.0,,,,,,,CID4876717,N#Cc1cccc(NC(=O)CCn2ccnc2)c1
+,,,,,,0.0,,,,0.0,,,,,,,CID698302,CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID999779,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCC2)c2cccc(C)c2)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID3244501,CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1
+,,,,,,,0.0,,,,,,0.0,,0.0,,CID5389032,C=CCn1c(=S)[nH]c2nc3c(cc2c1=O)COC(C)(C)C3
+,,0.0,,,,0.0,,,,,,,,,,,CID3238638,COc1ccccc1CNC(=O)CCNC(=O)Cn1ccc2ccccc2c1=O
+,,,,,,,0.0,,,,,,,0.0,,,CID2972746,O=C(c1ccc(C23CC4CC(CC(C4)C2)C3)o1)N1CCOCC1
+0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,CID646449,COc1ccc2nc(NC(=O)CSc3nnc(-c4ccoc4C)n3C)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID5534187,O=C1C=CC(=CNNC(=O)c2cc(-c3ccc4c(c3)OCO4)n[nH]2)C=C1
+0.0,,,,,,0.0,,,,,,,,,,,CID5307603,COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1OC
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+,,0.0,,,,,0.0,,,,,,,,,,CID2929660,COc1ccc(CC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1OC
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2973461,CCN(CC)S(=O)(=O)c1ccc(C2CNC(=O)C2)cc1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID653988,c1csc(C(c2nnnn2C2CCCC2)N2CCOCC2)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID3219768,Cc1ccc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID695227,COc1ccc(-n2c(O)cnc2Nc2nc(C)cc(C)n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID749165,O=C(c1ccccc1[N+](=O)[O-])n1cnc2ccccc21
+,,,,,,,0.0,,,,,,,,,0.0,CID2942939,CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(C)c3C)cc2)C1
+,,,,,,,,0.0,,,,,,,,,CID576845,Cc1cccc(C(=O)N2CCCN(C(=O)c3cccc(C)c3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID2887994,O=C1c2ccccc2NC(c2ccc(O)cc2)N1c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID16194993,COc1ccc(OC)c2sc(NNC(=O)C3COc4ccccc4O3)nc12
+,,,,,,0.0,,,,,,0.0,,,,,CID2997785,O=C1CN(C(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)c2ccccc2N1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID2998757,CCOC(=O)C1=C(c2ccccc2)OC(N)=C(C#N)C1C(C)C
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID654426,O=C(Cn1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1)Nc1ccccc1-n1cccc1
+,0.0,,,,0.0,,,,,,,,,,,0.0,CID666341,COc1ccccc1Oc1cc(C#N)c(C#N)cc1-n1nnc2ccccc21
+0.0,,0.0,,,,,,,,,,,,,,,CID4754223,CCn1c(C2CC(=O)N(c3cc(C)cc(C)c3)C2)nc2ccccc21
+,0.0,,,,,,,0.0,0.0,,,,,,,,CID3241231,O=C(Nn1nnnc1Nc1ccccc1)C12CC3CC(CC(C3)C1)C2
+0.0,,,,,,,,,,,,,,,,,CID2385463,COc1ccccc1OCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl
+,,,,,,0.0,,,,,,,,,,,CID751375,CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID887696,COc1ccc(CCNC(=O)/C=C/c2ccc(C)cc2)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID1932187,COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)Oc1ccccc1
+,,,,,,,,0.0,,,,,,0.0,,,CID2249389,O=C/C(=C\Nc1ccccn1)c1nc2ccccc2o1
+,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID650267,N#CCSc1nnc(Cc2ccc3c(c2)OCO3)o1
+,,,,,,,,,,,,,,0.0,,,CID2089578,O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc2ccccc2o1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID666871,CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)C1
+,0.0,,,,,,,,,,0.0,,,,,,CID3869509,COC(=O)c1ccc(N2C(=O)CC(Sc3n[nH]c(C)n3)C2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID2937147,Cc1ccc(NC(=O)CCSc2nnc3ccccn23)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID5307326,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2C(C)CCCC2C)c(C)o1
+,,,,,,,,,,,,0.0,,,,,CID5389590,C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O
+,,,,,,,,,,,0.0,,,,,,CID969696,CN(C(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID659330,CCC(CC)C1C(C#N)=C(N)Oc2n[nH]c(C)c21
+,,,,,,,,0.0,,,,,,,,,CID4419925,Cc1cc2c(cc1C)NC(=O)CC(C(F)(F)C(F)(F)C(F)(F)F)=N2
+,,,,,,,,,,,,,0.0,,,,CID2276243,O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccsc1
+,,,,,,,,,0.0,,,,,,,,CID685715,Cc1sc2ncnc(N3CCOCC3)c2c1C
+,,,,,,0.0,,,,,,,,,,,CID3245775,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCc1ccc2c(c1)OCO2
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0,CID660893,CC(C)COC(=O)Cn1cnc2ccc(Br)cc2c1=O
+,,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,CID973961,COc1ccccc1NC(=O)c1ccc(NS(C)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2438721,CS(=O)(=O)c1ccc(C(=O)NCc2ccccc2F)cc1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID792721,COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID665009,CC(CSc1nc2ccccc2s1)Cn1c(N2CCCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2683319,COc1cc(CCC(=O)Nc2cc(C)cc(C)c2)cc(OC)c1OC
+,,,0.0,,,,,,,,,,,,0.0,,CID970687,COc1ccc(NC(=O)Nc2ccc(N(C)C)cc2)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID656364,COCCn1nnnc1C(C(C)C)N(Cc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID1010625,CC(=O)N(C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2041326,Nc1nc2ccccc2nc1N1CCCC1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID659318,C=C(C)C1Cc2c(C)nn(-c3ccccc3)c2C1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3242798,O=C(NCCC1=CCCCC1)C1CCCN(c2nc3ccccc3o2)C1
+,,,,,,,,,,,,,,0.0,,,CID1909684,O=C(/C=C/c1ccccc1)NCC(=O)N/N=C/c1cccnc1
+0.0,,,,,,,,,,,,,,,,,CID5308393,COc1cccc(Cn2nnc(C(=O)NCc3ccccc3Cl)c2N)c1
+,,,0.0,,,,,,,,,,,,,,CID3242332,COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3F)CC2)c(OC)c1
+,,,,,,,,,0.0,,0.0,0.0,,,,,CID2104060,CCOC(=O)c1cc(=O)n2nc(-c3ccccc3F)nc2s1
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+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID3240851,O=C(CSc1nnc(CNC(=O)c2ccccc2F)o1)c1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID2265554,O=C1/C(=C/c2ccccc2O)N2CCC1CC2
+,,,,,,,,,,,,,,,0.0,0.0,CID655326,COc1ccc(NC(=O)c2ccccc2Cl)cc1NC(=O)CN1CCOCC1
+,0.0,,,,0.0,,,,,,,,0.0,,0.0,,CID3245677,O=C1CCCN1CN(C(=O)c1ccc2c(c1)OCO2)c1cccc(Cl)c1
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+,0.0,,,,0.0,,,,,,,,,,0.0,,CID2999359,CCOC(=O)C1CCCN(c2nnnn2-c2ccccc2)C1
+,,,,,,,,,,,,,0.0,,,,CID1933169,N#Cc1c(NC(=S)NC(=O)Cc2cccs2)sc2c1CCCCC2
+,,,,,0.0,,,,,,,,,,,,CID3238198,CCC1CCCN1Cn1cnc2c([nH]c3ccccc32)c1=O
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+,,,,,,,,,,,,,0.0,,,,CID3454573,CC(Oc1ccc(Cl)cc1)c1ccn[nH]1
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2998467,CNC(=O)NC(=O)CSc1ccc(NC(C)=O)cc1
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+0.0,,,,,,,,,,0.0,,,,,,,CID663562,Cc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CC(=O)OCc3ccccc3)c(=O)n2C)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2429966,COc1ccc(CC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID3846671,O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2944623,N#Cc1ccccc1NC(=O)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1
+0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,CID664927,COc1ccc2[nH]c(=O)c(CN(C(=O)C3CCCO3)c3ccc(C)cc3)cc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2434679,Cc1ccc(OCC(=O)OCc2c(C)noc2C)cc1C
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+,,,0.0,,,,,,,,,0.0,,,,,CID696845,Cc1sc2ncn3cnnc3c2c1C
+,,,,,,,,0.0,,0.0,,,,,,,CID664286,COc1cc2c(cc1OC)-c1cc(NC3CC3)nc(=O)n1CC2
+,,,,,,0.0,,,0.0,,,,0.0,,0.0,0.0,CID851796,O=C(O)CCC(=O)N1CCN(c2cccc(Cl)c2)CC1
+,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID2088635,N#C/C=C1\Sc2ccccc2C(=O)N1CC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2533203,O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1
+,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID306753,CN1CCN(C(=O)C2CCCCC2C(=O)O)CC1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,CID3236832,COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1OC
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+,,,,,,,0.0,,,,0.0,,,,,,CID2999939,COc1ccc(C(CNC(=O)c2ccc(OCC3CCCO3)cc2)N2CCOCC2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID4450255,CCCSc1nnc2nc3c(nn12)c1ccccc1n3C
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID2997908,Cc1cc(C)n2nc(SCC3COc4ccccc4O3)nc2n1
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+,,,,0.0,,,,,0.0,,,,,,,,CID3243487,CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(Cc4ccccc4)CC3)ccc21
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1164796,COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC
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+0.0,,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID2999658,CC1CCCC(C)N1C(=O)CSc1nnc(-c2cccs2)o1
+,,,,,,,,,,,,,,,0.0,0.0,CID2214115,Cc1ccc(-n2ncc(C(=O)NCc3ccc4c(c3)OCO4)c2NC(=O)c2ccco2)cc1C
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+,0.0,,,,,,,,,,,,,,,,CID665647,CC(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COC(C)C
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+,,,,,,,,,0.0,,0.0,,,,,,CID2146370,CCc1nnc(NC(=O)CCc2ccc(C)o2)s1
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+0.0,0.0,,,,,,,,0.0,,,,,0.0,,0.0,CID660692,COc1cc(OC)cc(C(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID890983,CN(CC(=O)NCc1ccncc1)S(=O)(=O)c1ccccc1
+0.0,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID5309287,Cc1nc2ccccc2c2oc(C(=O)N3CCC(N4CCCCC4)CC3)cc12
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID1069645,COc1cc(CN2CCN(c3cccc(C)c3C)CC2)cc(Br)c1O
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+,,,0.0,,,,0.0,,,,,,,,,0.0,CID3246757,COc1ccc(CCC(=O)N2CC(C)OC(C)C2)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID1949546,CCN1C(=O)/C(=C\N2CCOCC2)SC1=S
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+,,0.0,,,0.0,,,,,,,,,,,,CID3240590,O=C1c2ccccc2CCC1C(O)c1ccccn1
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+,,,,,,,,,,,,,0.0,,,,CID2845936,COc1cc(CN2CCCC(C)C2)cc([N+](=O)[O-])c1O
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2241608,CC(C)(C)c1ccc(C(=O)CSc2ncn[nH]2)cc1
+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,CID766644,CSc1nc(-c2ccccc2)nc(N2CCCC2)c1C(C)=O
+,,,,,,,,,,,0.0,,,,,,CID1214588,O=C(c1ccccn1)c1conc1C(=O)c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID1114679,O=C(O/N=C(/c1ccccc1)c1ccccn1)c1ccc(Cl)c(Cl)c1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID1254451,O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1cccnc1
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+,0.0,0.0,,,,0.0,,,,0.0,,,,,,0.0,CID2837947,CCOC(=O)C1CCCN(Cc2ccccc2C)C1
+,,,,,,,,,,,,,0.0,,,,CID325406,CCOC(=O)C1=C(C)N(C)C(C)=C(C(=O)OCC)C1c1ccc(Cl)cc1
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+,,,,,,,,,,0.0,,,,,,,CID2475547,Cc1ccccc1-n1cnnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,0.0,,,,,,,,,,0.0,,,,,,CID2985789,CCCn1c(N2CCN(Cc3cccc(C)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C
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+0.0,,,,0.0,0.0,,,,0.0,0.0,,,,,,,CID3236359,CCOC(=O)C1=C(c2ccccc2)NC(SC)=C(C#N)C1c1ccco1
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+,,,,,,,,,,,,,0.0,,,,CID2462911,O=C(CSc1nc(=O)c2ccccc2[nH]1)Nc1ccc(C(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348206,COc1ccc(/C=C2\SC(=O)N(CCc3nnc(N)s3)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID3748282,CC(C)(C)C(=O)C(Cc1ccccc1Cl)n1cncn1
+,,,,,,,,,,,0.0,,,,,,CID1377645,Cc1ccc(OCC(=O)N/N=C/c2c(C)n(C)c3ccccc23)c([N+](=O)[O-])c1
+,,,,,,,,0.0,,0.0,,,,,,,CID3149354,CCOC(=O)CNC(=O)CSc1nnc(-c2ccc(OC)cc2)n1CC
+,,,,,,,,,,,,,,0.0,,,CID2528581,Cc1cc(NC(=O)CSc2nnc(C)n2-c2ccccc2)no1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID945443,CCCc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)OCC
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID726906,Cc1nnc(C)n1/N=C/c1ccc(C(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID12414022,CC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)/[N+]([O-])=C/c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID891285,O=C(Nc1ccccc1N1CCCC1)c1ccc([N+](=O)[O-])cc1Cl
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID950340,Cc1cccc(-n2ncc3c(NCc4ccccc4)ncnc32)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID2831244,CC(=O)Oc1cccc(N2C(=O)C3C4C=CC(C4)C3C2=O)c1
+,0.0,,,0.0,,,,,,,,,,,,,CID647039,O=C(NC1=NCCS1)C1CC(=O)N(c2ccccc2)C1
+,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,CID2958421,C=CCN(C(=O)Nc1ccccc1)C1CC(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID3240902,CCCN1Cc2cccc(C(=O)Nc3ccc(N4CCN(CC)CC4)cc3)c2C1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID989398,Nc1[nH]c(SCC(=O)NC2CCCCCC2)nc(=O)c1-c1ccccc1
+,,0.0,,0.0,,,0.0,,,,0.0,,,,,,CID655547,CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21
+,,,,0.0,,,0.0,,,,,,,,,,CID3245103,O=C(c1ccc2c(c1)ncn2C1CCCCC1)N1CCC2(CC1)OCCO2
+0.0,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID5308372,CN1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,,,CID665648,CCc1ccc2oc(=O)cc(CN3CCN(c4ccc(F)cc4)CC3)c2c1
+,,,,,0.0,,,,,,,,,,,,CID5861253,CCn1c(/C=C2/C(=O)N(C)c3ccccc32)nc2ccccc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID2854551,CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1
+,,0.0,,,,,,,0.0,,,,,,,,CID662425,COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1
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+,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,CID701007,CNc1oc(Cc2ccccc2)nc1S(=O)(=O)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID766685,Cc1sc(NC(=O)CCCC(=O)O)c(C#N)c1C
+,,,,,,,,,0.0,,,,,,,,CID5168307,O=C1Nc2ncccc2OC1CCO
+,0.0,,,,,,,,,,,,,,,,CID5771397,CC1=C(C(=O)Nc2ccccc2)C(c2ccncc2)N2NN=NC2=N1
+,,,,,,,,,,0.0,0.0,,,,0.0,0.0,CID2672899,COc1cc(OC)cc(C(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)c1
+,,,0.0,,,,0.0,0.0,,,,,,0.0,,,CID659274,CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OC)C(C#N)C(=O)N1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID666909,Cc1ccc2oc(=O)cc(CN3CCC(C)CC3)c2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID5770080,CCCC1=C/C(=C2\C=CC(=O)C(OCC)=C2)C(C#N)=C(N)N1
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,,CID657435,c1ccc2c(c1)nc(N1CCOCC1)c1c3ccccc3[nH]c21
+,,,,,,,,,0.0,,,,,,,,CID2840110,CC1SC(c2cccc(Cl)c2)NC1=O
+,,,,,,,,,,,,,,0.0,,,CID1491023,CN1CCN(Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)CC1
+,,,,,,0.0,,,,,,,,,,0.0,CID3237596,O=C1C(c2ccc(F)cc2)N(Cc2ccc3c(c2)OCO3)C(=O)CN1C1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID536731,CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F
+,,,,0.0,0.0,,,,,,,,0.0,0.0,,,CID1310943,CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID879246,CNc1nc(NC)nc(-n2c(C(F)(F)F)nc3ccccc32)n1
+,,,,,,,,,,,,,,0.0,,,CID5296032,Cc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl
+,,,,,,,,,,,0.0,0.0,,,,,CID793682,CC(=O)Nc1ccc(Cl)c(C(N)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID3924314,CCCn1c(SCC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)n[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID6892643,N=C1N=C(c2ccc(Cl)cc2)/C(=N/Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S1
+,,,,,,,,,,,,,,,,0.0,CID653279,O=C(O)C1C2C=CC3(CN(Cc4ccccn4)C(=O)C13)O2
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2999313,COc1ccccc1NS(=O)(=O)c1ccc2oc(SC3CCOC3=O)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID2198015,CN(c1ccc(C(=O)NCCSCc2c(F)cccc2Cl)cc1)S(C)(=O)=O
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID3242809,CCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21
+,,,,,,,,,,,0.0,0.0,,,,,CID3238232,Cc1ccc(Cn2ccc(NC(=O)C3C4CCC(C4)C3C(=O)O)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2227542,COc1cc2c(cc1OC)C1=CC(=O)C(=O)N1C(C)(C)C2
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3820149,C=CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1
+,,,,,,,,,,,,,0.0,,0.0,,CID5308798,COc1cccc(C2CC(c3ccccc3Cl)N=C3N=C(N)NN32)c1
+,,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID768764,COc1ccc(O)c(C(=O)CC(=O)c2ccc(F)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2768255,Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
+0.0,,,0.0,0.0,,,,,,,,0.0,,,0.0,,CID2927070,c1ccc(-c2noc(CSc3nnnn3C3CCCCC3)n2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2413297,O=C(Cc1coc2ccc3ccccc3c12)Nc1nnc(C2CC2)s1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2082240,O=C(COc1ncnc2sccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID892271,O=C(CS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310107,COc1ccc(-c2nnc3ccc(SCC(=O)N4CCOCC4)nn23)cc1
+,,,,,,,,,,,0.0,,,,,,CID1009114,Cc1nn(-c2ccccc2)c(C)c1/C=N/NS(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2362025,O=C1C(Nc2ccccc2)=C/C(=N\S(=O)(=O)c2cccs2)c2ccccc21
+,0.0,,,,0.0,0.0,,,,,,,,,,,CID2921773,Cc1cccc(C2Nc3ccccc3C(=O)N2CCc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID3476681,O=C(NCC1CCCO1)c1ccc(COc2ccccc2Br)cc1
+,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID3244021,Cc1ccccc1N(C)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCC3CCCO3)c(=O)c2c1
+,,,,,0.0,,,,,,,,,,,,CID991455,COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)NCCN2CCOCC2)cc1
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID667154,Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4)CC3)n2CCc2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2227829,Cc1cc(S(=O)(=O)NCc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID877843,O=C(Cc1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID3210779,COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1
+,,,,,,,0.0,,,,,,,,,,CID646710,O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccncc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1483825,FC(F)(F)c1cnc(-c2cnc(-c3cccnc3)nc2)c(Cl)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2104651,COCCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccncc1
+,,,,,,,,,0.0,,,,,,,,CID2342823,CCN(C(=O)CSc1ncn[nH]1)C1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID980027,COC(=O)c1nn(-c2cccc(C)c2)c2nnc(Cc3ccccc3)c(=O)n12
+0.0,0.0,,,,,,,0.0,,,,,,,,,CID659909,CC1(C)Cc2c(C#N)c(NCc3ccco3)nc(-c3ccco3)c2CO1
+,,,,,0.0,,,,,,,,,,,,CID2249185,CC(=O)c1ccc(OC(=O)Cc2ccccc2)cc1
+,,,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,CID532682,COc1ccc(OC(=O)c2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16191563,CN1CCNC(=O)C1CC(=O)NCCC1=CCCCC1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID2612967,O=C(COC(=O)CSCC(=O)N1CCCCC1)Nc1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID3238116,COC(=O)CNC(=O)C1CCCN1C(=O)CNC(=O)OC(C)(C)C
+,,,,,,,,,,,,,0.0,,,,CID1250650,COc1cc(C=O)ccc1OC(=O)c1ccc(C(C)C)cc1
+0.0,,,,,,0.0,0.0,,,,,0.0,,,,,CID5309326,CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O
+,,,,,0.0,,,,,0.0,,,,,,,CID977043,CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nccs2)c1
+,,,,,0.0,,,,,,,,,,,,CID3696632,Cc1ccccc1NC1=NC(=S)N(c2ccccc2)C12CCOC(C)(C)C2
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1457154,CCOC(=O)c1ccccc1NC(=O)CSc1nnc(C(C)C)n1CC
+,,,,,,0.0,,0.0,,,,,,,,,CID651149,CN(C(=O)C1CCOC1)c1nnc(C2CCOC2)s1
+,,,,,,,,,,,0.0,,,,,,CID607001,O=C(COC(=O)c1ccccc1Nc1ccccc1)c1ccccc1
+,,,,0.0,,,,,,,,,0.0,,0.0,,CID854591,CCOC(=O)c1ccc(CC(=O)c2oc3cc(O)ccc3c2C)o1
+,,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,,,,0.0,CID646714,CCCC(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID9551604,CC(N/C=C1\N=C(c2ccccc2)OC1=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID710625,O=C(c1ccc(Br)o1)N(c1ccccn1)C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID5876611,COc1cc(/C=C/C(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCC#N
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID3146804,O=C1NC(c2cccs2)C(C(=O)c2ccccc2)C(O)(C(F)(F)F)N1
+,,,,,0.0,,,,,,,,,,,,CID5344382,COc1ccc(C2Nc3ccc(Cl)cc3C(c3ccccc3)O2)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID5307413,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID714962,CC(C)N(C#N)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
+0.0,,,,,0.0,0.0,,,0.0,,,,,,,,CID3240147,COc1cccc2sc(N3CCN(c4nc5ccccc5s4)CC3)nc12
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID3239069,Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,,,,,,0.0,,0.0,,,,,0.0,,,0.0,CID540218,CCOC(=O)C(NC(C)=O)(N1CCOCC1)C(F)(F)F
+,,,,,,0.0,,,0.0,,,,,,,,CID6279,CC(=O)OC1(C(C)=O)CCC2C3CC(C)C4=CC(=O)CCC4(C)C3CCC21C
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID655777,Cc1cc(C)c2[nH]c(=O)c(=O)[nH]c2c1
+,,,,,,,,,,0.0,,,,,,,CID3158288,COCCSc1nnc(NC(=O)C(C)(C)C)s1
+,,,,,,,,,,,,,0.0,,,,CID2232369,O=C(Cc1ccc(Cl)cc1)NCC(=O)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID829074,C/C(=N\NC(=O)c1ccc(=O)[nH]n1)c1cccnc1
+,0.0,,,,,0.0,,0.0,,,,,,,0.0,,CID666366,Cc1cc2c(c(=O)n1Cc1ccccn1)C(C(C)C)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,,,,,,,CID701804,Cc1cc2ncn(C(=O)c3ccco3)c2cc1C
+0.0,,,,0.0,,,,,,0.0,,0.0,,,,,CID663011,Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1/N=C/c1cccc(O)c1
+0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,CID648028,O=C(CSc1nnc(C2CCCCC2)n1Cc1ccccc1)NCc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID1476577,O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID3245481,Cn1c(C(=O)N2CCCC(C(=O)NCCCSC3CCCCC3)C2)cc2sccc21
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2877681,Cc1ccc(Nc2c([N+](=O)[O-])c(=O)n(C)c3ccccc23)cc1C
+0.0,,,,,,0.0,,,,,,,,,,,CID5308485,CCOc1ccc(N(CC)C(=O)COc2cc(=O)n(C)c3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID774521,COC(=O)c1cccc(NC(=O)c2ccc(C)cc2)c1
+0.0,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,CID664793,CN(C)S(=O)(=O)c1cccc(-c2cn3ccccc3n2)c1
+,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,,CID647821,CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(N)scc12
+0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID2833588,CC/N=C(\NCC)SC1CC(=O)N(c2ccccc2)C1=O
+,0.0,,,0.0,,,,0.0,,,,0.0,,,,,CID830688,CCOC(=O)c1c(C)nc(-c2ccccc2)nc1NC(=O)C(C)C
+,,,,,,,,,,,,,,0.0,,,CID2085783,C=CCN(CC=C)C(=O)COC(=O)c1n[nH]c2ccccc12
+,,,,,0.0,,0.0,,,,,,,,,,CID658720,COc1cccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)c1OC
+,,,,,0.0,,,,,,,,,,,,CID3886646,COc1ccc(-c2csc(NC(=O)c3cccc(S(=O)(=O)N4CCN(C)CC4)c3)n2)cc1
+,0.0,,,,0.0,0.0,,,,,0.0,,,,,,CID655147,CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1256879,CCOc1cc(S(=O)(=O)n2nc(C)cc2C)ccc1Br
+,,0.0,,,,,,,,,,,,,,,CID974074,CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(N)=O
+,,,,,,,,,,0.0,,,,,,,CID5122830,CCCCOc1ncnc2c1[nH]c1ccc(OC)cc12
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+,,0.0,,,,,0.0,,,,,,,,,,CID5309385,CCOc1ccc(Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1
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+0.0,0.0,,,,,,,,,,,,,,,0.0,CID3243402,CCOC(=O)CNc1c(-c2ccc(Cl)cc2)nc2cnccn12
+,0.0,,,,,,,,,,,,,,,,CID5308756,Cc1ccc(N2C(=O)c3ccccc3C2Nc2cccnc2)nc1
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+,,,0.0,,,,,,,,,,,,,,CID3830600,COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C
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+,,,,,,,,,,,,,,0.0,,,CID6407380,CCCCSc1nnc(-c2ccc(C)cc2)c2ccccc12
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID662242,Cc1[nH]nc2c1C(c1cccnc1)N(c1ccc(Br)cc1)C2=O
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2193475,COC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1
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+,,,,,0.0,,,,,,,,,,,,CID896529,C=C(C)C(=O)Nc1cccc(C(C)=O)c1
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+,0.0,,,,,,0.0,,,,,,,,,,CID655836,CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1
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+0.0,0.0,,0.0,,,,,,,0.0,0.0,,,,,0.0,CID1292653,Cn1nc(-c2ccc(C(=O)Nc3cccnc3)cc2)c2ccccc2c1=O
+,,0.0,,,0.0,,,,,0.0,,,,,0.0,,CID647190,COCCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C(C)C
+0.0,,,,,,0.0,,,,,,,,,,,CID2103853,O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)NC(=O)NCc1ccco1
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+,,,0.0,0.0,,,,0.0,,,,,,,,,CID2198459,CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2900003,CN1CCN(C(=O)c2c(NC(=O)c3ccco3)sc3c2CCC(C(C)(C)C)C3)CC1
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2531528,O=C(CSc1nnc(-c2ccccc2Br)o1)N1CCc2ccccc2C1
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+,0.0,,0.0,,,,,,0.0,,,,,0.0,,,CID656055,O=C(Oc1cccc2cccnc12)c1cccc(-n2cnnn2)c1
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+,0.0,,0.0,,,,,,,,,,,,,,CID4614335,CCC(C)Sc1nc2n(-c3ccccc3)[nH]cc-2c(=O)n1
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+,0.0,,,,,,,,,,,,,,,,CID655783,COc1ccc(-c2cc(NCc3ccccn3)n3ncnc3n2)cc1
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+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID660955,CCCCOC(=O)C(C)c1c(C)[nH]c(=S)[nH]c1=O
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+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID705148,N#Cc1c(NC(=O)CN2CCCCC2)sc2c1CCC2
+,0.0,,,,,,,,,,,,,,,,CID2998278,CC1CCCCC1NC(=O)COc1ccc(-n2cnnn2)cc1
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+,0.0,0.0,,,,,,0.0,,,,,,,,,CID647344,CCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
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+,,,,,,,,,,,,,0.0,,,,CID7197604,CCn1c(SCc2ccccc2)nc2c(c1=O)SCC2
+,,,,,,,,,,,0.0,,,0.0,,,CID852111,O=C(Cn1cnc2ccccc2c1=O)c1cccs1
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID660360,O=C1C(Cl)=C(N2CCN(Cc3ccccc3)CC2)C(=O)N1c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID1314217,CC(C)C(=O)Nc1cccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2283939,Cc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3244383,O=C1N2CCSC2=NC1(Nc1ccccn1)C(F)(F)F
+,,,0.0,0.0,,,,,,,,,,,,,CID3985436,CCC(Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1cc(C)on1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID655125,OCCNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2232356,O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1cc(Cl)ccc1Cl
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+,,,,,,,,,,,,0.0,,,,,CID5310786,CCn1c2ccccc2c2nnc(SCCCn3c(=O)[nH]c4ccccc43)nc21
+,,,,,,,,,,,,,0.0,,,,CID2114008,Cc1c(N)cccc1-n1cnnn1
+,,,,,,,,,,,,,0.0,,,,CID4126010,CCOc1ccc(N(CC(=O)OC)S(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1586676,CC(=O)N1CCN(C2=NC(=O)/C(=C\c3cccs3)S2)CC1
+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,CID2998519,CC(c1ccco1)N(C(=O)COc1ccc(Cl)cc1)c1ccccn1
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+,0.0,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,CID743416,CCOc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1
+,,,,,,,,,,,,,,,0.0,,CID608398,CCN(CC)Cc1c(C)[nH]c2ccc(OC)cc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID5344329,CC(=O)c1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccs2)c1
+,,,,,,,,,,,,,0.0,,,,CID2764909,CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID1068183,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(C)cccn2c1C(=O)OC
+,0.0,,,,,,,,,,,,0.0,,,,CID654361,CN1CCc2cc3c(c4c2C1CC41CCC(=NO)CC1)OCO3
+,0.0,,,,,,,,,,,,,,,,CID3237395,COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)o2)c1
+,,,,,,,,,,,0.0,,,,,,CID726295,COC(=O)c1ccc(NC(=S)Nc2ccccn2)cc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID661701,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCN(c2ccccn2)CC1
+,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,,CID668938,O=C(NCc1ccccn1)c1cccs1
+,,,,,,,,0.0,,,0.0,,,,,,CID974575,COC(=O)c1ccc(C(=S)N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16188445,CCOc1ccc(CCNC(=O)CCC(=O)Nc2ccc3nc(N4CCN(C)CC4)cc(C)c3c2)cc1OCC
+,,,,,,,0.0,,,0.0,,,,,,,CID3239645,COc1ccc(C2=NOC(C(=O)NCCN3CCOCC3)C2)cc1
+,,,,,,,,,,,0.0,,,,,,CID4573293,Cc1ccc(-c2csc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)n2)cc1C
+,,,,0.0,,,,,,0.0,,,,,,,CID3242413,Cc1cc(N2CCC3(CC2)OCCO3)n2nc(C)c(-c3ccc(Cl)cc3)c2n1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID659391,CCc1cc2c(NC(C)C(=O)O)ncnc2s1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID661524,CC(C)Cc1[nH]c(=O)c(C#N)c2c1CCC2
+,,,,,,,0.0,,0.0,,,,,,,,CID302926,CCOC(=O)Cn1c(=O)n(CC(=O)OCC)c2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID6400938,C/C(=N\O)C(=O)NCCCNCCCN(C)C
+,,,,,,0.0,,0.0,,,,,,,,,CID794982,O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID651124,Cc1ccccc1NC(=O)c1c(-c2ccccc2)noc1C
+,,,,,,0.0,,,0.0,,,,,,,,CID869238,CN1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5307814,Cc1ccc(C)c(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)c1
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID653761,COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2583500,Cc1ccc(OCCCC(=O)Nc2nc3ccccc3[nH]2)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID974192,CCOC(=O)c1c(C)nc2ncccn12
+0.0,,,0.0,0.0,0.0,,,,,,,,,,,,CID3243549,Cc1cc(C)n(C(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)n1
+,,,,,,,,,,0.0,,,,,,,CID6620305,CN(CC(=O)NCc1ccccc1)S(=O)(=O)c1cnc[nH]1
+,,,,,,,,,,,,,0.0,,,,CID4300933,COc1ccccc1CNC(=O)c1ccc2c(=O)n(CCCN3CCCC3=O)c(=S)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID1311440,CCOC(=O)c1c(NS(=O)(=O)Cc2ccccc2)sc2c1CCCC2
+,,0.0,,,,,,,,,,,,,,,CID1303751,COc1ccc(CCNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2341112,CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)O)C(C)C)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID2998583,O=C1OCCC1NC1=NCCC1
+,,,0.0,,0.0,0.0,,,,,0.0,,,,,,CID659498,CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
+,,,,,0.0,,,,,,,,,,,,CID11958531,COCCNC(=O)C1CC(c2cccc([N+](=O)[O-])c2)=NO1
+,,,,,,,,,,,,,0.0,,,,CID665194,O=C1NCCc2c1[nH]c1c(Cl)ccc(Cl)c21
+,0.0,,,,,,,,,,,,,,,,CID5310571,COc1ccc(OC)c2sc(NC(=O)C(C)C)nc12
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID2086090,Cc1csc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1
+,,,,,,,,,,,0.0,,,,,,CID3229072,O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NCCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1484953,CCC(=O)NCc1c(C)c(C)n(Cc2ccccc2)c1-n1cccc1
+,,,,,,,,,,,,,,0.0,,,CID2230147,O=C(CSCc1ccccc1Cl)NNC(=S)Nc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID659865,CCSC1(SCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=C(C)C12C#N
+,,,,,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,CID730704,O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc2ccccc2o1
+0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID802159,Cn1c(=O)c2c(-c3ccccc3)n(C3CCCCC3)cc2n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID7191386,O=C(CSc1nnc(NC(=O)Cc2ccc(F)cc2)s1)NCc1ccco1
+,,,0.0,0.0,,,,,,,,,,,,,CID350843,CC1CN=C(Nc2cccc3ccccc23)S1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID684377,C=CCc1c(C)nc(SC)nc1Nc1ccc(C)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID830238,CC(=O)N1CN(C2CCCC2)Cc2c1sc1c2CCCC1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID735687,Cc1ccc(C)c(C(=O)CSc2n[nH]c(-c3ccncc3)n2)c1
+,,,,,0.0,,,,,,,,,,,,CID6199954,CC(NC(=O)/C(C#N)=C/c1cn[nH]c1-c1ccccc1)c1ccccc1
+,,,0.0,,,,,,,,,,,,0.0,,CID660960,CC(C)C1C(C#N)=C(N)Oc2n[nH]c(C(C)(C)C)c21
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2786644,Cn1c(=O)c([N+](=O)[O-])c(NCc2ccccc2)c2ccccc21
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3242443,COc1cc2c(C(=O)N3CCN(C4CCCCC4)CC3)cn(CC(C)C)c(=O)c2cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1258911,Cc1nc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)ccc1Br
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3243825,CCOc1ccccc1NC(=O)C1CCCN1C(=O)OCc1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID753671,Cn1c(=O)c2cn(Cc3ccc(Cl)cc3)cc2n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2391388,NC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]
+,,,,,,,,0.0,,,,,,,,,CID974686,COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID2828180,CC1SC2(CN3CCC2CC3)NC1=O
+,,,,,,,,,0.0,,,,,,,,CID2792060,Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCC(C)C4)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1405265,COc1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1
+,,,,,,,,,,,,,0.0,,0.0,,CID1299351,O=C(NCc1ccc2c(c1)OCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID3246764,O=C(CCSc1nnc2ccccn12)Nc1ccc(F)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID695287,COc1cc2[nH]c(=O)n(C3CCCCC3)c(=O)c2cc1OC
+,,,,,,,,,,,0.0,,,,,,CID780385,c1ccc(NC2=Nc3ccccc3CC2)cc1
+0.0,,,,,,0.0,0.0,,,,,,0.0,,0.0,,CID713096,O=C1Cc2ccccc2C(=O)N1CCc1ccccc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3245736,COc1ccc(-n2nc(C(=O)NCC(=O)NCC3CCCO3)c3ccccc3c2=O)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID2921149,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1379319,Cc1c(C(=O)Nc2ccc(OCc3ccccc3)cc2)cccc1[N+](=O)[O-]
+,,,,,,,,,0.0,,,,,,,,CID687985,Cc1cc(S(=O)(=O)Nc2ccc3ccccc3c2)c(C)s1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID673933,Nc1nnc(SCC(=O)c2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID2225884,O=C(CSCc1cccc(CSCC(=O)Nc2ccc3ccccc3c2)n1)Nc1ccc2ccccc2c1
+,,,,,,,,,,,,,0.0,,,,CID1471597,CSc1ccc(NC(N)=S)cc1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID665636,Cn1c(=O)[nH]c(=O)c2c1nc(NCCCn1ccnc1)n2Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5834049,COC(=O)/C=C1\C(=O)N(c2nc3ccc(OC)cc3s2)C(=S)N1c1ccc(F)cc1
+,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID2054464,Cc1ccccc1-n1nnnc1-c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID3101523,CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCN(CCC#N)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID884342,CC(C)Sc1nc(=O)cc(-c2ccccc2)[nH]1
+,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID654879,O=C(Nc1ccc2c(c1)OCCO2)c1ccc2nccnc2c1
+,,,,,0.0,,,,,0.0,,,,,,,CID9551234,CCCN(CCC)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
+0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID2849921,COc1ccc(C(NC(N)=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3158191,CCn1nc(C)c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)c1C
+,,,,,,,,,,,,,,0.0,,,CID839988,Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N)ccc(c23)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2323614,O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(OC(F)F)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID789702,CCNC(=O)c1c(C)nc2ccccn12
+,,,,,,,,,,,0.0,,0.0,,,,CID851895,CCOC(=O)Nc1nc(C)c(C(=O)c2ccc(Cl)cc2)s1
+,,,,,,,,,,,0.0,,,,0.0,,CID5389918,CCOC(=O)CNC(=O)CSc1nc2nc(C)c(Br)cc2[nH]1
+0.0,,,,,,,0.0,,,,,,,,,,CID5308534,OC(CN1CCN(c2ccccc2)CC1)c1ccc2c(c1)CCN2
+,,,,,,,,0.0,,,,,,,,,CID934768,Cc1cccc(NC(=O)NCC(F)(F)F)n1
+,,,,,,,,,,,,,0.0,,,,CID784576,Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID5309435,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCc2ccc(C)cc2)C3C1=O
+,,,,0.0,,,,0.0,,,,,,,,,CID3243578,N#CCSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID3710920,CCCCN1C(=O)C2NN=C(C(=O)OCC)C2C1=O
+,,,,,,,,,,,,,,0.0,,,CID749844,O=C(O)/C=C/c1cccc(NS(=O)(=O)c2ccccc2)c1
+0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,0.0,0.0,CID666436,COc1ccc(C(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3239550,O=C(Nc1cccc(F)c1)c1cc(S(=O)(=O)N2CCC(C(=O)O)CC2)ccc1F
+,,,,,,,,,,,,,0.0,,,,CID1480139,O=c1[nH]ncn1-c1cccc(C(F)(F)F)c1
+,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,,CID664914,Cc1nc(NC(C)c2ccccc2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,,,,0.0,CID2349317,Cc1cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n(-c2ccccc2)n1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID886490,Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID2149960,CCCNC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID602841,O=S(=O)(NCC(Nc1ccccc1)c1ccccc1)c1ccc(Cl)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID675672,COC(=O)c1c(NC(=O)C2CC2)sc2c1CCCC2
+,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,,CID758290,Cc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID4049132,COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCC(C(N)=O)CC2)cc1OC
+,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID3243587,COc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)n(C)c12
+,0.0,,,0.0,,,,,,,,,,,,,CID2168938,COc1ccccc1CCNC(=O)c1cnn2c(C(F)F)cc(C)nc12
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID2219525,CC1CCN(C(=S)c2ccc3c(c2)OCO3)CC1
+,,0.0,,,,,,,,,,,,,,,CID653494,O=C(Cn1nc(-c2ccccc2)ccc1=O)NCC1COCCO1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID3235921,CCOC(=O)C(Cc1ccccc1)NC(=O)CCc1c(C)nc2ncnn2c1C
+,,,,,,,,0.0,,,,,,0.0,,,CID1076359,COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2ccccc2OC)cc1
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID665807,C=CCN1/C(=N/C(=O)CCCC(=O)O)SC2CS(=O)(=O)CC21
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID647151,Cc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)ccc1Br
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID5308110,COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
+,,,,,,0.0,,,,0.0,,,,,,0.0,CID1367387,Clc1ccc(OCc2nc(-c3ccncc3)no2)c(Br)c1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2998811,O=C(OC1CCOC1=O)c1cncc(Br)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID3240957,CCOC(=O)c1[nH]c(C)c(CN(CCc2ccc(OC)c(OC)c2)C(=O)CCCC(=O)O)c1C
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID2945349,CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID1283635,Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1
+,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,CID847345,N#CCC(=O)NCC1(c2ccccc2)CCCC1
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID2997696,NS(=O)(=O)c1ccc(CCNC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5060417,Cc1ccc(N2C(=O)CC(Sc3nc4ccccc4o3)C2=O)cc1Cl
+,0.0,,,,,,,,,,,0.0,0.0,,,0.0,CID820781,COC(=O)c1ccc(Cl)c(NC(C)=O)c1
+,,,,,,,,,,,0.0,,,,,,CID2842126,C/C(=N\Nc1nc(N)cc(Cl)n1)c1cccc([N+](=O)[O-])c1
+,,,0.0,,,,,0.0,,,,,,,0.0,,CID967593,Cc1ccc(C)c(NS(=O)(=O)c2cc(C(N)=O)ccc2C)c1
+,,,,,,,,,,,,,0.0,,,,CID685236,O=C(O)c1ccc(CSc2ccccn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2452582,COC(=O)c1cc(CNC(=O)c2ccccc2Cl)ccc1OC
+0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID644447,COc1ccc(-c2ccc(SCC(=O)NCc3ccco3)nn2)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID3242309,CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID830136,CCOC(=O)Cn1c(=O)c(-c2ccccc2NC)nc2ccccc21
+,,,,,0.0,0.0,,0.0,,,,,0.0,,,,CID655559,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID714968,CC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
+,0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,CID3239198,COc1ccc(-c2noc(CCC(=O)N(C)c3cccc(C)c3)n2)cc1
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID662250,Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCc2ccccc2)n(C)c1=O
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,CID664338,COc1ccc(CCNc2oc(-c3ccccc3OC)nc2C#N)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID712919,O=C(O)/C=C/c1ccc2ccccc2n1
+0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,0.0,CID2836900,COc1ccccc1C1NC(=O)NC(C)=C1C(=O)OC1CCCCC1
+,,,,,,,,,0.0,,0.0,,,,,,CID3170514,COCCCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccncc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3194337,COc1cc(C(=O)N(Cc2cccnc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc(OC)c1OC
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID2237500,O=S(=O)(N1CCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID3246782,CC(CCc1ccccc1)NC(=O)c1ccc(Br)o1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID662053,Cc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID534056,O=C(N/N=C/c1ccco1)C1CC(=O)N(c2ccccc2)C1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID666132,C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1cccc(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID2765709,COc1ccccc1CN1C(=O)C(=O)N(Cc2cccc(C)c2)C1=O
+0.0,0.0,,,,,,,,,,,,,,,,CID1094863,O=C(Nc1ccc(F)cc1F)N1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2089592,CCC(C)(C)NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID655313,Cc1nccn1CC(O)COC1CCCCC1
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,0.0,0.0,,,CID644888,COc1cccc(Nc2ncnc3c2cnn3C)c1
+,,,,,,,,,0.0,,,,,,,,CID9549340,COC1=C/C(=C2/C=C(c3ccc(OC)cc3)NN2)C(=O)C=C1
+,,,,,,,0.0,,,,,0.0,,,,,CID2999875,CC(=O)NCC(=O)OC(C)C(=O)Nc1ccc(C(C)=O)cc1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,0.0,CID3238679,CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCC(N4CCCCC4)CC3)ccc21
+0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,CID662352,C=CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cnccn1
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,,CID5307908,O=C(c1ccccc1S(=O)(=O)NCc1ccccc1)N1CCCCC1
+0.0,,0.0,,,,,,,,,,,,,,,CID653270,COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3nc(C)cc(C)c3C#N)CC2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID7312382,Cc1cc(C)c(C#N)c(Sc2ccc(N)cc2)n1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID1086723,O=C(Cn1c(S(=O)(=O)Cc2ccccc2)nc2ccccc21)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID3125294,CSCC(NS(=O)(=O)c1ccc(C)cc1)C(=O)O
+,,,0.0,,,,,,0.0,,,,,,,,CID2945555,CCOC(=O)C1CCCN(C2CC(=O)N(c3ccc(C)c(C)c3)C2=O)C1
+,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,CID3237100,COc1ccc(CCNC(=O)c2ccc3c(=O)n(Cc4ccco4)c(=S)[nH]c3c2)cc1OC
+,,,,,0.0,,,,,,,0.0,,,,,CID666623,CC(C)CCn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID3241329,CC(=O)c1cc(-c2ccccc2)n(CCC(=O)NCc2cccs2)c1C
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID2083749,Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1ccc2c(c1)OCO2
+0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0,CID778140,Cc1oc(C(=O)O)cc1CSc1nnc(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID3312060,COc1ccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)cc1
+0.0,0.0,,,,,,,0.0,0.0,,,0.0,,,,,CID5307647,Cc1nn2c(=O)cc(CSc3nc4ccccc4[nH]3)nc2s1
+0.0,,,,,,,,0.0,0.0,,,,,,,,CID654884,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID2105938,CNS(=O)(=O)c1cccc(C(=O)OCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)c1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID5307494,CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccc2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID2515107,Cc1ccc2c(CSc3nncn3C)cc(=O)oc2c1C
+,,,,,,,,,,,,,0.0,,,,CID578531,S=C(c1ccccc1)N1CCN(C(=S)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID5916178,Cc1ccc(C(=O)/C=C/Nc2ccc([N+](=O)[O-])cc2Br)cc1
+,,,,,,,,,,0.0,,,,,,,CID2792534,CC(C)OC(=O)C(C)Oc1ccc(C(=O)NCCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID800461,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1Br
+0.0,,,,,,,,,0.0,,,,,,,,CID5308757,Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCCCN2CCCC2=O)CC1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID5308887,Nc1nnc(N2CCc3ccccc32)s1
+,,,0.0,,,,,,,,,,,,,,CID1070232,CCCc1ccc2c(N)c(C#N)sc2n1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID5307231,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCCCCC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2981791,Cc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2399616,COc1ccc(N2CCN(Cc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)CC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3236120,O=C(NC1CCCc2ccccc21)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID939745,Cc1cc2nc(C)n3c4ccccc4nc3n2n1
+,,,,,0.0,,,,,,0.0,,,,,,CID919704,Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C)CC1
+,,,,,0.0,,,,,,,,,,,,CID3538174,CCCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
+0.0,0.0,,,,,,,,0.0,0.0,,,,,,0.0,CID819028,Cc1cc(=O)n2[nH]c(-c3ccc(Cl)cc3)cc2n1
+,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID3236614,CCCC(=O)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID3236905,CSC1=NCCN1C(=O)c1ccccc1F
+,0.0,,,,,,,,0.0,,,,,,,,CID660302,CCCc1nnc(NC(=O)Nc2ccccc2OC)s1
+,,,,0.0,,0.0,0.0,,,,,,,,,0.0,CID655793,FC(F)(F)c1ccccc1Nc1nccs1
+0.0,,,,,0.0,,,,,,,0.0,,,,,CID663905,Cc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID741509,CC(C)(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID661786,COc1ccc(-c2nnc3sc(CCN4C(=O)c5ccccc5C4=O)nn23)cc1
+0.0,,,,0.0,,,,0.0,0.0,,,,,,,,CID658473,Cc1ccccc1C(=O)c1ccc2c(c1)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID719553,CCOc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OC
+,,,,0.0,,,,,,,,,,,,,CID658534,OC1(c2cccc(C(F)(F)F)c2)CCN(c2ncnc3c2[nH]c2ccccc23)CC1
+,,,,,0.0,,,,,0.0,,,,,0.0,,CID1324435,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccccc2F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2883253,O=C(N/N=C/c1cccs1)C1CC(=O)N(c2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID5093553,COc1ccc(CNC(=O)CCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1
+,,,,,,,,,,,,,0.0,,,,CID15944707,Cc1cccc(-c2nc(CSc3nc(=O)c4c([nH]3)CCC4)c(C)o2)c1
+,,,,,,,,,,0.0,0.0,0.0,,,,,CID2931390,Cc1ccc(N2CCN(CC(O)COC3CCCCC3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID777114,Cc1cc(C)cc(Nc2cc(=O)n(C)c(=O)n2C)c1
+,,,,0.0,0.0,,,,,,,,,,,,CID3242481,CC1CCCCC1NC(=O)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2138543,Cc1cccc(-c2nnn3c2nc(NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc23)c1
+,,0.0,,,,,,,,,,0.0,,,,,CID664243,Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(C)o3)C2c2cccs2)no1
+,,,,,,,,0.0,,,,,,,,,CID5711795,CCOc1ccccc1C1C(C(=O)Nc2ccccc2OC)=C(C)N=C2N=NNN21
+,0.0,,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,CID973789,Cc1cc2ncn(S(=O)(=O)N3CCCCC3)c2cc1C
+,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,CID3241640,COc1ccc(OC)c(CNC(=O)C2CCCN(c3nc4ccccc4o3)C2)c1
+0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID645553,COc1ccc2nc(NC(=O)CSc3nc4cccnc4n3C)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID1000124,Cc1ccsc1/C=N/NC(=O)c1cc(-c2ccncc2)nc2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID656136,O=C(NCC1CCCO1)c1ccc(Cl)c(F)c1F
+,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,CID346815,COc1ccc(NC(=O)c2ccc(OC)cc2)cc1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID5310042,COC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID2360952,CC(C)N(C(=O)CSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C)c1ccccc1
+0.0,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,CID2953828,CCS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2O)CC1
+,,,,,,,,,,,,,,0.0,,,CID2475598,O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID6388989,Cc1cc(N/C(=N\S(=O)(=O)c2ccc(F)cc2)c2ccccc2)n(-c2ccccc2)n1
+,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID2977229,COc1ccc(CC(=O)NC(C)c2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1
+,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID1277944,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
+,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID3235874,COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccco3)n2-c2ccccc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID887870,O=C(/C=C/c1ccc(Br)cc1)NCc1cccs1
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+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID1893245,O=C(O)CCCNC(=O)c1cncc(Br)c1
+,0.0,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2859706,CC(C(=O)NCc1ccccn1)N1C(=O)c2ccccc2C1=O
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+,,,,,,,,,,,,,0.0,,,,CID5838729,COC1=C/C(=C/NN(C)c2ccccc2)C=C(Cl)C1=O
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+,,,,,0.0,,,,,,,,,,,,CID5405507,Cc1nc(C(=O)Nc2ccccc2Cl)cc2c1[nH]c1ccccc12
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+,,0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,CID2033004,Cc1cc(C)c2c(CN3CCN(C/C=C/c4ccccc4)CC3)cc(=O)oc2c1
+0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,0.0,CID662916,CC(C)(C)OC(=O)NCCc1nnc(SCc2ccccc2Cl)o1
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+,,,,,,,,,,,,,0.0,,,,CID1482536,CC(=O)c1cnc(Nc2ccccc2)s1
+,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,0.0,CID2421472,CCOC(=O)c1cc(-c2cccs2)nn1CCC#N
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+,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,CID648453,O=C1OCc2cc(NC(=O)C3CCCCC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID788813,Cc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)ccc1[N+](=O)[O-]
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+0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,,CID2321431,Cc1cc(C)nc(-n2nc(C)c(Sc3ccc(F)cc3)c2N)n1
+,,,0.0,,,,,,,,,,,,,,CID2980777,O=C(Nc1ccccc1)N1CC=C(c2ccc(F)cc2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2224508,CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)c(C#N)c1C
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+,0.0,,,,,,,,,,,,0.0,,,,CID3239498,CCOc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
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+,,,,,,,,,,,,,0.0,,,,CID4671199,Cc1nn2c(N3CCN(C4CCCC4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1
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+0.0,,,,,,0.0,,,,0.0,,,,,,,CID664487,Cc1cc2oc3c(c(=O)c2cc1C)C(c1cccc(Br)c1)N(Cc1ccco1)C3=O
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+,0.0,,,,,0.0,0.0,,,,,,,,,,CID2979178,Cc1nn2c3c(cnc2c1-c1ccccc1)C(=O)CC(C)C3
+,,,,,,0.0,,,,,,,,,,,CID651997,COc1ccc(CC(NC(C)=O)C(=O)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)cc1OC
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+,,,,,,0.0,,,,,,,,,,,CID3163217,CCSc1nnc2c(n1)OC1(CCCC1)Nc1ccccc1-2
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID5310110,COC(=O)c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)o1
+,,,,,,,,,,,,,,,,0.0,CID2852160,COC(=O)C1=C(C)NC(=O)CC1c1cccc(Cl)c1Cl
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2999209,O=C1CC(N2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)C(=O)N1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5348564,COc1ccc(/C(N)=N/OC(=O)Cc2ccc(OC)c(OC)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3202304,COc1ccc(N(C(=O)Cn2cnc3ccccc32)C(C(=O)NC2CCCCC2)c2ccccc2)cc1
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+,,,,,,,,,,0.0,,,,,,,CID3220263,CC(C)C(OC(=O)c1cccs1)C(=O)NC1CCCCC1
+,,0.0,,,,,0.0,,,,,,,,,,CID2998614,Cc1ccc(S(=O)(=O)N2CCCCC2C(=O)NCc2ccco2)cc1
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+,,,,,,,,,,,,0.0,,,0.0,,CID752793,Cc1cc(NC=C2C(=O)CC(C)(C)CC2=O)no1
+0.0,,,,,,,,,,,,,,,,,CID646744,CC(=O)N1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)CC1
+,,0.0,,,,,,,,,0.0,,0.0,,,,CID646418,CCCn1ncc(C(=O)O)c1C
+,,,,,,,,,,0.0,,,,,,,CID4880876,Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C2CCCCC2C)no1
+,,,,,,,,,,,,,0.0,,,,CID2943284,COc1cc(C2NC(=O)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)O
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+,,,,,,,,,,,,,,,,0.0,CID1245954,Cc1occc1C(=O)N1CCN(S(C)(=O)=O)CC1
+,,,,,,,,0.0,,,,,,,,,CID2964245,O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2177557,CCOC(=O)c1cc(NC(=O)/C=C\C(=O)O)ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID5389512,COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCc3ccc4c(c3)OCO4)C2=O)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID672271,Cc1ccc(-c2cc(=O)[nH]c3ccccc23)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID884165,NS(=O)(=O)c1ccc(CNC(=O)/C=C/c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5753566,CC1=NN(c2ccc(C)cc2C)C(=O)/C1=C/Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID4215766,Cc1csc2ncc(C(=O)N(Cc3ccccc3)c3ccccn3)c(=O)n12
+,,,,,0.0,,,,,,,,,,,,CID1451398,Cc1cccc(C)c1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID3240199,CN(CC(=O)N1CCC(Cc2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2892073,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(c2ccccc2)CC1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID911706,O=S(=O)(Nc1nc2c(s1)CCCC2)c1ccc2ccccc2c1
+0.0,,,,,,0.0,,,,0.0,,0.0,0.0,,,,CID1083196,O=S(=O)(c1ccc(-c2csc(-c3cccnc3)n2)cc1)N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3205534,CC(C)(C)NC(=O)CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID675220,O=C(COc1ccccc1Br)NCc1ccco1
+,,,,,,,,0.0,,,,,,,,,CID2939168,Cc1ccc(CC(NC(=O)c2ccccc2)C(=O)NCC(=O)O)cc1
+,,0.0,,,,,,,,,,,0.0,,,,CID5310887,CCC/C(NO)=C1\C=Nc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID401588,O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccs1
+,,,,,,,0.0,,,,,,,,,,CID5770738,O=C1C=CC=C/C1=C1/NN=C(SCC(=O)N2CCc3ccccc3C2)O1
+0.0,,,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,CID650148,Cc1[nH]c2ccc(-c3nnc(SCC(=O)N4CCCc5ccccc54)o3)cc2c1C
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID806248,Fc1ccc(Br)cc1/C=N/n1cnnc1
+,,,,,,,,,,,,,,0.0,,,CID5723391,COC(=O)C1=C(C)NC(=S)NC1/C=C/c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID749788,CN(C)C(=O)Oc1ccnc2cc(Cl)ccc12
+,,,,,0.0,,,,,,,,,,,,CID2879802,Cc1nc2ccccc2n1CC(O)COc1cccc(Cl)c1
+,,,,,,,,,0.0,,,,,,,,CID1173928,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(N)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1357733,CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1172852,CCOc1cc(NC(=S)NC)c(OCC)cc1NC(=O)c1ccc(OC)cc1
+,,,0.0,,,,,,,,,,,,,,CID346717,O=C(c1ccc(Cl)c(Cl)c1)N1CCOCC1
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+,,,,,,,,,,,,0.0,,,,,CID5309232,O=C(NCCCN1CCOCC1)C1CCC(=O)N1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1256627,Cc1cc(C)c(NC(=O)Nc2ccccc2C)c(Cl)c1
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID3239551,CCn1c(=O)cc(SCC(=O)N2CCN(C(=O)c3ccco3)CC2)c2ccccc21
+,,,,,,,,,,,,,,,,0.0,CID2965140,CC(Sc1nc(NCc2ccccc2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID1817779,Cn1nnnc1SCCNC/C=C/c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID647373,O=C(CSc1nnc(-c2cccnc2)n1C1CCCCC1)NC1CCCCC1
+0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,,,CID2622690,Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCCC4)C3=O)c2C)no1
+0.0,,0.0,,,,0.0,,,0.0,,,,,,,,CID651331,O=S(=O)(CC1CSc2ncnc3ncn1c23)c1ccc2ccccc2c1
+,,,,,,,0.0,,,,,,,,,,CID2870929,COc1ccccc1C1(CC(=O)O)CCOC(C)(C)C1
+,,0.0,0.0,,,,,,,,0.0,,0.0,,,,CID151368,CC(=O)Nc1ccc2[nH]c3ccccc3c2c1
+,,,0.0,,,,,,0.0,,,,,,,,CID3127108,CC1(C)CC(=O)C=C(NCCCNC2CCCCC2)C1
+0.0,,,,0.0,,,,0.0,,,,,,,,,CID2999006,Clc1ccc(Oc2cccc(/C=N/n3cnnc3)c2)cc1
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID3238337,CCN(CC)C(=O)c1sc2nc(-c3ccc(OC)cc3)cn2c1C
+,,0.0,,,,,,,,,,,,,,,CID2987989,CCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,,CID2239640,Cc1nn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc2s1
+,,0.0,0.0,,,,,,,,,,,,,,CID3246773,O=C(O)C1CC=CCC1C(=O)NC12CC3CC(CC(C3)C1)C2
+,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,CID626866,COc1ccc(OC)c(C(=O)c2coc3ccc(O)cc23)c1
+,0.0,,,,,,,,,,,,,,,,CID659632,CCOc1ccc(Nc2cc(C)nc(N3CCOCC3)n2)cc1
+,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,CID3240033,CCOC(=O)N1CCC(c2[nH][nH]c(=O)c2C)CC1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,0.0,CID665746,O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1Cc1ccco1
+,,,,0.0,,0.0,,,0.0,,,0.0,,,,,CID4117900,N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID658597,CCNC(=O)N1C(=O)C2(OCCO2)c2cc(Br)ccc21
+0.0,,,,,,,,,,,,,0.0,,,,CID3240636,COc1cc(OC)c(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID1085174,Cc1cc(C(=O)NCC(=O)O)c(C)o1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID2952867,CC1CN(c2ccccc2)C(=O)CS1
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+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3245923,Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccco2)on1
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+0.0,,,,,,,,,,,,,,,,,CID4383648,COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1
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+0.0,,,,,0.0,,,,,,,,,,,0.0,CID1515698,CSc1nc2ccccc2n1CC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID953619,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C
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+,,,,,0.0,,,,,,,,,,,,CID1082694,COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1
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+,,,,,,,,,,0.0,,,0.0,0.0,,,CID1287145,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCc1ccccc1)c1ccc2c(c1)OCCO2
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5308660,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1
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+,,,,,,,,0.0,,0.0,,,,,,,CID1317357,CS(=O)(=O)c1nc(-c2ccc(Br)cc2)cc(-c2ccccc2)c1C#N
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+,,,0.0,0.0,,,,,,,,,,,,,CID1370032,CC(C)Cn1c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c(=O)c2ccccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID844508,CCn1ncc(/C=C/C(=O)NCc2cnn(C)c2C)c1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID762667,O=C(c1ccc(Br)o1)N1CCCc2ccccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID874000,O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccccc1
+,0.0,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,CID2945384,COC(=O)C(C(=O)Nc1ncccn1)C1CCCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1552507,COc1ccccc1/C=C/C=N/NC(=O)c1cnccn1
+,,,,,,,,,,0.0,0.0,,,,,,CID3241742,Cc1c(C(=O)NCC2COc3ccccc3O2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
+,,,,,,,,,,,,0.0,,,,,CID3237106,CCN1CCCC1CNC(=O)c1ccc2c(=O)n(CCOC)c(=O)[nH]c2c1
+,,,,,,0.0,,,,,,,,,,,CID5771271,CCC(=O)/C(C#N)=C1\NN=C2CCCCCN21
+,,,,,,,,,,,,,,0.0,,,CID759922,N#C/C(=C\c1cccs1)C(=O)NCc1ccco1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID659951,Nn1c(-c2cccc(Br)c2)n[nH]c1=S
+,,,0.0,,,0.0,,,,,,,,,,,CID2972356,Cn1c(=O)n(C)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc21
+0.0,,,,,,0.0,,,,,,,,0.0,,0.0,CID2225018,O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Br)cn1
+,,,,,0.0,,,,,,,,,0.0,,,CID4625864,Cc1nc(SCC(=O)c2ccccc2)c([N+](=O)[O-])[nH]1
+,,,,,,,,,,,0.0,,,,,,CID2030314,Cc1ccc2c(C)nc(Nc3nc(=O)cc(CSc4nnc(C)s4)[nH]3)nc2c1
+,,,,,,,,,,0.0,,,,,,,CID4262514,O=C(CSc1ncccc1C(=O)O)c1ccc2ccccc2c1
+,,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,0.0,CID2920966,O=C(Nc1ccc(Cl)cc1)C1CC2CCCC(C1)C2=O
+,,,,,,,,,,,,,0.0,,0.0,,CID647575,CCOC(=O)Cn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID2401602,O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1ccc(Oc2ccccc2)cc1
+,,0.0,,,,0.0,,,,,,,,,,1.0,CID2998655,COc1ccc(Cl)cc1C(=O)NCC(c1ccco1)N1CCCC1
+,,,,,,,,,0.0,,,,0.0,,,,CID853220,COC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID2153937,O=c1nc(NC2CCCCC2)[nH]nc1Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID666315,CCOc1cc(-c2c3c(C)[nH]n(-c4ccc(F)cc4)c-3nc(=O)c2C#N)ccc1O
+,,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,,CID3237345,COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCc3cc(OC)ccc3OC)c(C)o2)cc1
+,,,,,,,,,,,,,,,0.0,,CID749958,CC(=O)c1ccc2c3c(ccc(O)c13)CC2
+,,,,,,,,,,,0.0,,,,,,CID2833314,Cc1nc(N/N=C/c2ccccc2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]
+0.0,,,,,,,0.0,,0.0,,,,,,,,CID3236214,O=C1CCCC2=C1C(c1ccsc1)CC(=O)N2c1ccccc1
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID2889735,COc1cc(SC)ccc1C(=O)NCC1CCCO1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID823315,Cc1ccc(-n2c(-c3cccnc3)n[nH]c2=S)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID5663340,CCN1C(=O)C(=CNCc2cccs2)C(=O)N(CC)C1=S
+,,0.0,,0.0,,,,,,0.0,0.0,,,,,,CID654595,COC(=O)c1cccc(OCC(O)Cn2cnc3cc(C)c(C)cc32)c1
+,,,,,,,,,,,,,,0.0,,,CID4065118,Cc1ccsc1CN1CC(=O)N(c2c(C)cccc2C)C1=S
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,1.0,0.0,,CID833492,COc1ccc(C(=O)n2nnc3ccccc32)cc1Br
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1265683,Cc1sc(-n2c(C)cc(C=O)c2C)c(C(=O)O)c1C
+,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID2943076,CC(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1859050,CC1(C)CC(=O)c2cn3ncnc3nc2C1
+,,,,,,,,,,,,,,0.0,,,CID5338781,O=C1C=CC(=CNNc2ncc(Br)cn2)C=C1
+,,,,,,,,,0.0,,,,,,,,CID3229279,c1ccc(Cn2nnnc2C(c2ccccn2)N2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2441538,CC(C)c1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccco3)CC2)cc1
+,,0.0,,,0.0,0.0,,,,0.0,,,,,,,CID652373,Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c1
+,,,,,,,,,,,,,,0.0,,,CID2433163,CCOc1ncccc1C(=O)OCC(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID16191222,Clc1cccc(CN2CCN(Cc3nc(CCc4ccccc4)no3)CC2)c1
+0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,CID894505,Cc1ccc(C)c(NC2=NS(=O)(=O)c3ccccc32)c1
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID947816,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)Oc1ccccc1
+0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID655427,O=C1c2ccccc2C(=O)N1CCCCN1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
+,,,,,,,,,,,,,,,0.0,,CID2280028,O=C(CN(c1ccccc1F)S(=O)(=O)c1ccccc1)N1CCCCCC1
+,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,CID655068,Nc1nc(CSc2nc3ccccc3s2)nc(N2CCCCC2)n1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID1621512,COc1ccccc1Nc1nc(N)nc(CSCCO)n1
+,,,,,,,0.0,,,,,,,,,,CID2998135,Cc1c(OCC(=O)OC(C)(C)C)ccc2c3c(c(=O)oc12)CCC3
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID660887,NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID827102,c1ccc2c(c1)Sc1ccccc1-n1cnnc1-2
+,,,,0.0,,,,,,,,,,,,,CID645569,CCc1cc2c(=O)[nH]cnc2s1
+,,,,,,,,,0.0,,0.0,,,,,,CID2136935,COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1
+0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2874197,CC1=C(C(=O)Nc2ccccc2Cl)C(c2ccc(N(C)C)cc2)NC(=O)N1
+,,,,,,,,0.0,,,,,,,0.0,,CID664052,CCCc1[nH]nc2c1C1(C(=O)N(C(C)C)c3ccccc31)C(C#N)=C(N)O2
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID2213836,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)no1
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID2421505,CN(CCc1ccccn1)c1ncnc2[nH]ncc12
+,,,,,,,,,,,,,,0.0,,,CID7151300,O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccc2ccccc2n1
+0.0,,,,,,0.0,,,,,,0.0,,0.0,,,CID663059,Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,,,CID651454,O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1
+,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,CID1616788,CCc1ccc(C(=O)COC(=O)CNC(=O)c2ccco2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3241004,CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccs2)c1
+,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,,,CID1329160,O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1893498,Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2Nc2ccccc2)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID3235994,CCOC(=O)C(C)n1cnc2c(nnn2-c2ccc(OC)cc2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID821830,O=C(NCCc1ccccc1)c1nc2ncccn2n1
+,,,,0.0,,,,,,,0.0,,,,,,CID3240436,CCN(CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1
+,,,,,,,,,,,,,,0.0,0.0,,CID3237480,CN(C)C(CNC(=O)NC1CCCCC1)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID2248521,O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2F)cc1
+,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,CID1271328,O=C(c1cc2ccccc2oc1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID657861,Cc1ccc2[nH]c(CCN(C)C)c(CC#N)c2c1
+0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,CID755735,O=S1(=O)N=C(NCc2ccccc2)c2ccccc21
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID1260996,COc1ccc(OC)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1
+,,,,,,,0.0,,0.0,,0.0,,,,0.0,0.0,CID655267,COc1ccc(OCC(=O)Nc2cccc(OC)c2)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID660840,COC(=O)c1ccccc1NC(=O)CC#N
+,,,,,,,,0.0,,,0.0,,,,,,CID846930,COc1ccc(NC(=O)NCc2ccccn2)cc1
+,,,0.0,,,,,,,,,,,,,,CID665466,O=C(NCc1ccco1)C1CSC2c3ccccc3C(=O)N12
+,,0.0,,,,,,,,,,,,,,,CID5310146,Cc1c(C(=O)NCc2ccc3c(c2)OCO3)sc2nc(-c3ccccc3)cn12
+,,,,0.0,,0.0,,,0.0,,,0.0,,,0.0,,CID656113,CCC(=O)Nc1nc(CC(=O)Nc2ccccc2)cs1
+0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID654211,COc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID16194811,COc1ccc(NC(=O)CSc2nnc3ccc(-c4ccncc4)nn23)cc1OC
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2238230,NC(=O)CSc1nnc(-c2cc3ccccc3o2)n1Cc1ccccc1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,,CID665642,Cc1cc(C)n(-c2nc(NCC(C)O)c3c4c(sc3n2)CCCC4)n1
+,,,,,,,,,0.0,,,,,,,,CID1626929,Cc1ccc(N/C(CSC(N)=O)=N/S(=O)(=O)c2ccccc2)cc1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,,CID3239524,O=C(CCn1cccc1)Nc1nccs1
+,0.0,0.0,,,,,,,,,,0.0,0.0,,0.0,,CID783405,CCOC(=O)C1CCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
+,,,,,,,,,,,,0.0,,,,,CID5307227,CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3245075,COc1ccccc1S(=O)Cc1ccc(C(=O)O)o1
+,,,,,,,,,,,,,,0.0,,,CID895913,O=Cc1cn(CCC(=O)O)nc1-c1cc2ccccc2o1
+,,,,,,,,,,,,,,0.0,,,CID2184164,COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Br)o2)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID654467,CCOc1ccccc1-n1c(SCC(=O)N(C(C)C)C(C)C)nnc1-c1cccnc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5308975,COC(=O)c1ccccc1NC(=O)c1cc(C2CC2)on1
+,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,CID3236426,CC(C)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID3237050,COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3cccc(Br)c3)c2cc1OC
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID2894937,Cc1cc(C=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1
+0.0,,,0.0,,0.0,,,0.0,,,,,,,,,CID667116,CCCc1nc2oc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2
+,,,,,0.0,,,,,,,,,,,,CID11957217,COc1ccc(CNC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID707529,Cc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(O)cc2)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID1254126,COc1cccc(C(=O)Nc2cccc(OCC(=O)O)c2)c1
+,,,0.0,,,0.0,,,0.0,0.0,,,,,,,CID2982764,CC(=O)Nc1cccc(N2C(=O)CC(N3CCC(C(=O)N4CCCCC4)CC3)C2=O)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2763657,O=C(O)c1[nH]c2ccccc2c1-c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID330196,CCOC(=O)CSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1
+,,,,0.0,,0.0,,0.0,,,,,,,,0.0,CID2302047,COc1ccccc1-n1nnnc1S(=O)(=O)Cc1ccc(Cl)cc1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID666707,Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2cnccn2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3150887,CCCOc1nnnn1-c1ccccc1
+,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID664796,CCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccncc1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID647984,O=C(C1CC1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1
+,,,,,,,,,,,,,,0.0,,,CID2081318,CC(=O)Nc1ccc(NC(=O)CCCSc2nc3ccccc3s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID940904,COc1ccccc1-c1nc(C#N)c(N2CCCCCC2)o1
+0.0,0.0,,,1.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,CID1305820,Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID2999705,CCN1C(=O)C(C)S/C1=N\S(=O)(=O)c1ccc(Cl)s1
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,CID3240346,CCCCOC(=O)c1ccc(NC(=O)c2ocnc2C)cc1
+,0.0,,,,,,,,,,,0.0,0.0,,0.0,0.0,CID714041,N#Cc1nc(COc2ccccc2Cl)oc1N1CCCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID739614,COc1ccc(C(=O)N/N=C/c2ccccn2)cc1OC
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID1303187,O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccc(Br)cn1
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID2157582,CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,0.0,,CID647787,CN(C)c1nc(SCCOC(=O)c2ccccc2)nc(N(C)C)n1
+,,,,,,,,,,,,,0.0,,,,CID2410789,CSc1ncccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+0.0,,,0.0,,0.0,0.0,,,,,,,,,,,CID2998227,Cn1c(N2CCOCC2)nc(-c2ccccc2)c1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4021575,COc1cc(OC)cc(C(=O)Nc2c(C)cccc2C)c1
+,,,,,,,,0.0,,,,,,,,,CID1933179,O=C(/C=C/c1cccs1)NC(=S)NNC(=O)Cc1cccs1
+,,,,,,,,,0.0,,0.0,,,,,,CID877185,OCc1cn(-c2ccccc2)nc1-c1ccco1
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID2918677,Cc1cc(C)n(-c2ncnc3sc4c(c23)CC(C)CC4)n1
+,,,,,,,,,,,,,,0.0,,,CID1326526,Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cnn(-c4ccc(C)cc4)c3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1440447,CCc1cc2ccc(C)cc2nc1SCC(=O)NNC(=O)c1ccco1
+0.0,0.0,,,,,,,0.0,0.0,,,,,,,,CID3238225,NS(=O)(=O)c1ccc(CCNc2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2768106,Clc1ccc(-c2onc3c2CCCC3)cc1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID683809,CN(C)c1cccc(NC(=O)CCc2ccccc2)c1
+0.0,,,,,,,,,,,,,,,,,CID3243394,COc1ccccc1-c1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
+,,,,,,,,,,,,,,0.0,,,CID5133178,O=C(Nc1ccc(Br)cn1)C1CCCN1S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID5310053,Cc1csc2nc(CCNS(=O)(=O)c3cccs3)cn12
+,,,,,,,,,,,,,0.0,,,,CID1482144,O=C1/C(=C/c2cc([N+](=O)[O-])ccc2Cl)N2CCC1CC2
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID3144204,CC(C)Oc1ccc(C2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,0.0,CID2883786,C=CCN(CC=C)C(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
+,,,,,,,,0.0,,,,,,,,,CID1250406,Brc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1255449,COC(=O)c1ccc(Cl)c(NC(=O)CN2CCN(C)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1471948,CN(C)/C=C/C(=O)c1nn(-c2ccc(Cl)cc2)c(=O)n(C)c1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID3245084,CCOC(=O)c1c(C)c(C(=O)NCCOC)c(C)n1CC
+,,,,,,,,,,,,,0.0,,,,CID1366009,O=C(Nc1ccccn1)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1473615,O=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID953413,Cc1cccc(OCC(=O)Nc2nnn(C)n2)c1C
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+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID3240106,CCCCn1c(SCC(=O)NCc2ccco2)nc2ccc(N3CCOCC3)cc2c1=O
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+,,,,,,,,,,,,,0.0,0.0,,,CID2525732,S=c1sc(SCCOc2ccccc2)nn1-c1ccccc1
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+,0.0,,,0.0,,,,,,0.0,,,,,0.0,1.0,CID2998557,N#CCCn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nc2ccccc21
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID660264,COc1ccccc1C(=O)Nc1ccc(-c2nnc(SCC(=O)O)n2C)cc1
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+0.0,,,,,,0.0,,0.0,,,,,0.0,,,,CID2930814,COc1ccc(Br)cc1S(=O)(=O)N1CC(C)OC(C)C1
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+,,,,,0.0,,,,,,,,,,,,CID1119933,Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NCc2ccc(Cl)cc2)cc1
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+,,,,,,,,0.0,,0.0,,,0.0,,,,CID823268,O=S(=O)(NCCc1ccncc1)c1ccc(Br)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID5616332,CCN1C(=O)/C(=C/NC2CCCC2)SC1=S
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+,,,,,,,0.0,0.0,,,,0.0,,,,,CID2179734,COc1ccc(N2C(=O)CC(=O)NC2=O)cc1
+,,,,0.0,,,,,,,,,,,,,CID658138,CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F
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+0.0,,,,,,,,,,,,,,,,,CID3236086,O=C(CN1CCN(c2ccccn2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
+,,0.0,,,,,,,,,,,,,,,CID2979368,O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2767864,O=S(=O)(c1ccc(Cl)cc1)n1ccc2cccnc21
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID3616163,O=C(CCC1CC(=O)Nc2ccccc21)NCc1cccnc1
+,,,,,,,,,,,,,0.0,0.0,,,CID882077,O=S(=O)(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID1473260,CN(C)C(=O)c1cc(C(=O)c2ccccc2Cl)c[nH]1
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+,0.0,,,,0.0,,,,0.0,,,,,,0.0,0.0,CID2562908,Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CCCCC3)n2N)cs1
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+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3243451,COc1ccc(-c2noc(CCC(=O)NCCN(C)Cc3ccccc3)n2)cc1
+,0.0,,,,,,,,,,,,,,,,CID2127533,CCOC(=O)CNC(=O)Nc1nnc(-c2ccc(OCC)cc2)o1
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+,,,,,,,,,,,,,,0.0,,,CID754766,CC(=O)c1cnc2c(-c3ccccc3)c(C)nn2c1C
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+,,,,,,,,,,,,,,0.0,,,CID2148802,O=S(=O)(c1ccccc1)N1CCN=C1SCc1cccnc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1485381,O=c1oc(-c2ccccc2)nc2ccsc12
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID665885,COc1ccccc1Nc1nc(N)nc(-c2cc3ccccc3o2)n1
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+,,,,,0.0,,,,,,,,,,,,CID2875569,CCC1C(=O)N=C(SCC(=O)Nc2nc(-c3ccccc3)cs2)NC1=O
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+,0.0,,,,,,0.0,,,,,0.0,,,,,CID3243322,CCOC(=O)C1CCCN(C(=O)C2CCCN(S(C)(=O)=O)C2)C1
+,,,,0.0,0.0,,,,,,,,,,,,CID1100900,CCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CC
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+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID3244191,Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)c[nH]n2c(=O)c1Cl
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID1245404,Cc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cs1
+,0.0,,0.0,,,,,,,,,,,,,,CID3235750,Cc1cc(C)n2nnnc2c1C#N
+,,,,,,,,,,,,,0.0,,,,CID4334143,OCC(O)/C=N/Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID663409,COC(=O)C(CCSC)NC(=O)NCCC1=CCCCC1
+,,,,,,,,,0.0,,,,,0.0,,,CID2889128,CCCC(C)C(=O)Nc1ccccc1C(=O)OCC
+,,0.0,,,,0.0,,,,,,,,,,,CID5178252,COc1cccc(C2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCN2CCOCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID1489070,COc1ccc(COC(=O)Nc2cc3c(C(F)(F)F)nn(C)c3s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4586080,Cc1cc(-c2n[nH]c(=S)n2/N=C/c2ccccc2[N+](=O)[O-])n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID757805,CCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID3239181,CCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4o3)c2)cc1Cl
+,,,,,,0.0,,0.0,,,,,,,,,CID6411259,O=C(/C=N/O)NCC1CCNCC1
+,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID786911,COc1cccc(C(=O)NCc2cccnc2)c1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID224214,O=Cc1ccccc1OCCOc1ccccc1C=O
+,,,,,0.0,,,,,,,,,,,,CID1430262,Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1
+,,,,,,,,,,,,,,,,0.0,CID2484257,CC(C)NC(=O)NC(=O)CSc1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID1290664,COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5308208,COc1ccc(OC)c(NC(=O)CNC(=O)Cn2ccc3ccccc3c2=O)c1
+,0.0,,,,,,,,,,,,,,,0.0,CID5309657,Cc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CC(C)CC(C)C2)o1
+0.0,,,,0.0,,0.0,,,,,,,,,0.0,,CID654704,CC1Cc2ccccc2N1C(=O)CSc1nnc(Cn2nnc3ccccc32)n1C
+0.0,,,,,,,,,,,,,,,,,CID5307475,O=C1c2ccccc2C(Nc2ccc(F)cc2F)N1CCN1CCOCC1
+,,,,,,,0.0,,,,0.0,,,,,,CID3235597,Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc12
+0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,,CID653671,COc1nc(Nc2cccc(C)c2)nc(N2CCCCC2)n1
+,,,,,,,,0.0,,,,,,,,,CID2221323,COc1cc(C)ccc1OCCCON1C(=O)CCC1=O
+,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,CID2981270,CCN1C(=O)CC(N2CCN(c3ccc(C(=O)c4ccccc4)cc3)CC2)C1=O
+,,,,0.0,,0.0,,0.0,,0.0,,,,,,,CID2943717,O=S(=O)(c1ccc2oc3ccc(S(=O)(=O)N4CCCC4)cc3c2c1)N1CCCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID5308551,Cc1ccnc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
+,,,,,,,0.0,,0.0,,,,,,,,CID3646578,O=C(c1ccco1)N1CCN=C1SCc1cccc(F)c1
+,,0.0,,,,,,,,,,,,,,,CID6324535,COC(=O)CSCc1nc2ccccc2[nH]c1=O
+,,,,,,,,,0.0,,,,,,,,CID778269,CC(C)Cc1ccc(S(=O)(=O)N2CCCC2)cc1
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID718972,NC(=O)C1CCN(C(=O)CSc2ccccn2)CC1
+,,,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID2292147,COc1ccc(OC)c(N(CC(=O)NCCSc2ccccc2)S(C)(=O)=O)c1
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID1245882,Cc1occc1C(=O)Nc1nnc(C2CCCCC2)s1
+,,,0.0,,,,,,,0.0,,,,0.0,,0.0,CID717599,Cc1cc(NC(=O)Cc2cccs2)no1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID1069530,O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc(Br)c3)o2)c1)c1ccco1
+,,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,CID646405,N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1
+,,,,,,,,,,,,,,,0.0,,CID2950846,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCC2CCCO2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID2226842,C=CCNC(=O)CCCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2182824,CCCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
+,,,,,,,,,,,0.0,,,0.0,,,CID901348,O=c1[nH]c2ccccc2n2c(-c3ccccc3)nnc12
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID5307394,O=C(NCc1cccc(F)c1)c1noc2c1CCCC2
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID652106,Cc1cc(N)n2ncc(-c3ccccc3)c2n1
+,,,,,,,,,,,,,,0.0,,,CID856309,O=Cc1ccc(OCC(=O)Nc2ccccc2-c2ccccc2)cc1
+,,,0.0,,,,,0.0,,,0.0,,,,,0.0,CID658994,CC12CCC(=O)N1c1c(sc3nc(N4CCOCC4)c4c(c13)CCCC4)C(=O)N2
+,,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,CID728497,CCOC(=O)Nc1ccccc1N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID1380425,CC(=O)Oc1c(Cl)c(N2CCOCC2)c(OC(C)=O)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID3878372,CCc1nc(SCC(=O)N2CCCc3ccccc32)c2oc3ccccc3c2n1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID2942868,COc1ccc(OC)c(S(=O)(=O)N2c3cc(F)ccc3CCC2C)c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID659741,Cc1cc(C(F)(F)F)nn1CC(=O)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID789210,O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID777053,Cc1ccc(/C=C2\Sc3ccccc3C2=O)s1
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+,,0.0,,,,,,,,,,,,,,,CID685010,CCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O
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+,,,,,,,,,,,,,,0.0,,,CID1190217,CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC1=NS(=O)(=O)c2ccccc21
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+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID2225198,CCCCCCC(=O)Nc1ccc(Cl)cn1
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+0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID2943028,N#CC1=C(N)Oc2cc3c(cc2C1c1ccc(Cl)cc1)OCO3
+,,,0.0,,,,0.0,,,,,,,,,,CID2560682,O=C(O)Cn1nc(-c2ccc(F)cc2)oc1=O
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+,,,,,,,,,,,0.0,,,,,,CID3700490,CC1CN(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CC(C)O1
+,,0.0,,,,0.0,,,0.0,,0.0,,,,,0.0,CID2990891,CCOC(=O)N1CCN(C(=O)C2CCCN(S(C)(=O)=O)C2)CC1
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID661760,CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2ccccc2nc1N1CCCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2372559,O=C1N=c2ccc(Br)cc2=C1Nc1ccc(-c2nnc3n2CCCCC3)cc1
+,,,,,,,,,,0.0,,,,,,,CID4479488,Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID2876959,CC(C)C(=O)NC(c1ccco1)c1ccc2cccnc2c1O
+,,,,,,,,,,,,,0.0,,,,CID2112344,CN(C)CCNc1nc(S(=O)(=O)c2ccccc2)c(Cl)s1
+,,,,,,,,,,,,,0.0,,,,CID7196833,Cc1cc(NC(=O)CSc2nncc(=O)n2N)no1
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+0.0,,,,,,,0.0,0.0,,,,,,,,,CID3243303,Cc1ccc(C)c(Cn2c(=O)n(CCC(=O)NCc3ccco3)c(=O)c3ccccc32)c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID660111,O=C(NCC(F)(F)F)N1CCOCC1
+0.0,,,,,,,,,,,,,,,,,CID652132,Cc1occc1-c1nnc(SCC(=O)N2CCN(c3ccccc3F)CC2)n1C
+,,,,,,,,,,,,,0.0,,,,CID3865568,CC(=O)N(c1nc(CCl)cs1)c1ccc(C)cc1C
+,,,,,0.0,,,,,,,,,,,,CID4625749,CCCCCCCc1nc2c(=O)n(C)c3ccccc3c2o1
+,,,,,0.0,,,,,,,,,,,,CID2834330,CC(NC(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2
+0.0,,,0.0,,0.0,,,,,,,,,0.0,0.0,,CID1098144,Oc1c(CN2CCOCC2)cc(-c2ccccc2)cc1CN1CCOCC1
+,,,,,,,0.0,,,,,,,,0.0,,CID663657,COc1cc(OC)cc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1
+,,,,,,,,,,0.0,,,,,,,CID801007,COc1ccc(C(=O)N(C(C)C)C(C)C)c(OC)c1
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID2226678,CCOC(=O)N1CCN(C(=O)COc2ccc(Br)cc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID5340559,CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID5614610,CC(=O)/C=C1\Nc2ccccc2OC1=O
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID1668622,CCOC(=O)c1sc2ncnc(NCc3ccco3)c2c1C
+,,,,,,,,,,,,0.0,,,,,CID664000,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2148687,CCCS(=O)(=O)N1CCN=C1SCc1cccc(C)c1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2103170,COc1ccccc1NC(=O)Nc1ccc(Br)cn1
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+,0.0,,,,,,,,0.0,,,,,0.0,,,CID1252113,COc1ccccc1N1CCN(C(=O)CSc2nc3ncnc(N)c3[nH]2)CC1
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+,,,,,,,,0.0,,,,,,,,,CID1091766,O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)CC1
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+,,0.0,,0.0,,,,0.0,,,,,,,,,CID2999288,CC1Cc2ccccc2N1C(=O)CN1C(=O)NC(C)(c2ccc3c(c2)OCCO3)C1=O
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+0.0,,,,,,,,,,,,,,,,0.0,CID2215048,COc1cc(CNCCO)ccc1OCC(=O)Nc1ccc(Br)cc1
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+,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,,CID649728,O=c1/c(=C/c2ccc3c(c2)OCO3)sc2n1CCCN=2
+,,0.0,,0.0,,,,,,,,,,,,,CID650613,COCCNC(=O)c1c[nH]c2ccc(OC)cc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID2854256,COc1ccc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)cc1
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+,,,,,,,,,0.0,,,0.0,,,0.0,,CID652629,CCN(CC)C(=O)C1CC(=O)OC1(C)C
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2956630,CCCCN1C(=O)C2NN=C(C(=O)OC)C2C1=O
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+,,,,,,,,,,,,,0.0,,,,CID4427813,CC1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC(C)O1
+,,,,,,,,,0.0,0.0,,,,,,,CID2112990,COc1ccc(N(Cc2ccccc2)S(=O)(=O)c2cccc(C(=O)NC3=NCCS3)c2)cc1
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+,0.0,,,,,,,0.0,,,0.0,,,,,0.0,CID663434,Cc1nc(Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1
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+,,,,,,,,,,,,,0.0,,,,CID1482465,CS/C(=N\C#N)N1CCN(c2ccc(Cl)cc2)CC1
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+0.0,,,,,,,,,,,,,,,,,CID651710,O=C(Nc1cnn(Cc2ccccc2)c1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
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+,,,,,0.0,,,,,,,,,,,,CID787150,Cc1ccc(CN2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1259437,COc1cccc(N2CCN(CC(=O)c3c(C)[nH]c4ccccc34)CC2)c1
+,,,,,,,0.0,0.0,,,,0.0,,,,0.0,CID662765,CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccc(O)cc2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID900801,CCOc1cc(C(N)=O)cc(Br)c1OCC
+,,,,,,,,,,,,,0.0,,,,CID2319222,O=Cc1cn(-c2ccccc2)nc1-c1cc2cc(O)ccc2oc1=O
+0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,CID646163,CCOC(=O)CSc1nnc(-c2ccccc2NC(=O)c2ccccc2)o1
+,,,,,,,,,,,,,,0.0,,,CID676369,N#Cc1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)cc1C#N
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+,,,,,,,,,,,,,0.0,,,,CID1069494,CS(=O)(=O)c1ccc2nc(NC(=O)Nc3cccc(Cl)c3)sc2c1
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+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID3244965,Cc1nc(C)c(C(=O)Nc2nc3c(C)cccc3s2)o1
+,,,,,,,,,,,,,,0.0,,,CID886608,Cc1cc(C=O)c(C)n1-c1cc(C(=O)O)cc(C(=O)O)c1
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+,0.0,,0.0,,,,,,,,,,,,,,CID662899,CCCC(=O)Nc1nn(CCC)c2nc3ccccc3cc12
+0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,,CID2921692,Cc1cccc(C2Nc3ccccc3C(=O)N2c2ccccc2)n1
+,,,,,,,,,,,,0.0,,,0.0,,CID5309897,CCOC(=O)C1CCN(c2c(NCCCN(C)C3CCCCC3)c(=O)c2=O)CC1
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+,,,,,,,,,,,,,,0.0,,,CID6393301,CCCN1C(=O)/C(=C/c2ccc(C)o2)NC1=S
+,,,,,,,,,,,,,,0.0,,,CID2232934,O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccncc1
+,,0.0,,,,,,,0.0,,,,,,,,CID650092,CCC(c1nnnn1Cc1ccccc1)N(Cc1cc2cc(OC)ccc2[nH]c1=O)CC1CCCO1
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+,,,,,0.0,,,,,,,,,,,,CID748470,COc1ccccc1NC(=O)c1csc2c1CCCC2
+,,,,,,,,,,,0.0,,,0.0,,,CID988924,CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2ccccc2OC)c1=S
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID5309460,Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)nc1
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+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID2433036,CNC(=O)COC(=O)c1cc(F)c(F)cc1Cl
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+,,,,,,,,0.0,,,,,0.0,,,,CID2339814,CCOc1ccc2nc(SCC(=O)c3ccc(Cl)s3)sc2c1
+,,,,,,,0.0,,,,,,,0.0,,,CID5771479,COc1cc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCCC(=O)O)ccc1O
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+,,,,,,,,0.0,0.0,,,,,,0.0,,CID2998089,Cc1ccc(-n2c(C)cc3c2CCCC3=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1479634,Cc1oncc1-c1csc(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID9550193,CCOc1ccccc1NC(=O)C(=O)/C=C(\O)c1cc(OC)ccc1OC
+,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID2301265,O=C(CCC(=O)OCC(=O)c1ccccc1)NC1CCCCC1
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+,0.0,0.0,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,CID644428,O=C(CSc1n[nH]c(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1)N1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID947841,COc1ccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1979983,CCN(CC)S(=O)(=O)c1cc(-c2nn(C)c(=O)c3ccccc23)ccc1C
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+,,,,,,,,,0.0,,,,0.0,,,,CID893945,O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCC(=O)O
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID5308052,CCn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2cc(OC)c(OC)cc2c1=O
+,0.0,,0.0,,,,,,,,,,,0.0,,,CID1830493,Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1
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+,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,CID1260993,COc1ccc(C)c(S(=O)(=O)Nc2ccc(OCC(=O)O)cc2)c1
+,0.0,,,,,,,,,,,,,,,,CID5310210,COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCC4)nn23)cc1
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+,,,,,0.0,,,,,,,,,,,,CID2878481,CCC1Nc2ccc(C)cc2C(Nc2ccc(C)cc2)C1C
+,,,,,,,,0.0,0.0,,,,,,0.0,,CID2963128,CCOC(=O)C1CCCN(C(=O)c2ccccc2SCCOC)C1
+,,0.0,,,,,,,,,,,,,0.0,,CID3241761,CCOC(=O)N1CCN(C(=O)CCSCCc2ccncc2)CC1
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+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3243666,CCn1ncc(Br)c1C(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
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+,0.0,,,,,,,,,,,,,,,,CID3238736,Clc1cccc2sc(N3CCCC3)nc12
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+,,,,,,,,0.0,,,,,0.0,,,,CID2363757,CCn1c(CSc2nc3ccccc3s2)n[nH]c1=S
+,,,,,,,,0.0,,,,,,,,,CID2224677,O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCC1
+0.0,,,,0.0,,,,,,,,,,,,,CID2415488,Cc1nc2ccccc2c(=O)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1
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+,,,,,0.0,,,,,,,,,,,,CID2836833,CCOC(=O)C(C(=O)Nc1cccc(C)c1)C1CCCCC1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID3725884,CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCC
+,,,,,,,,,0.0,,,,,,,,CID6860699,C=CCN1C(=O)NC(=O)/C(=C(/C)NCCC2=CCCCC2)C1=O
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+,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,CID4247300,O=C(Nc1ccccc1)N(CCCN1CCOCC1)Cc1cccs1
+,,,,,,0.0,,,,,,,,,,,CID712660,N#Cc1c(N)sc(=S)c2c1CCCC2
+0.0,,,,,,,,,,,,,,,,,CID663047,CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1N
+,,,,,,,,,,,,,0.0,0.0,,,CID777275,COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID3237511,CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1
+,,,,0.0,,,0.0,0.0,,,,,,,,,CID664360,COc1ccc(C2CC(=O)c3cnc(NC(=O)c4ccccc4OC)nc3C2)c(OC)c1
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID2951265,Cn1ncc(C#N)c1/N=C/N(Cc1ccccc1)Cc1ccccc1
+,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,,CID2234049,CN1C(=O)c2cccc3c(S(=O)(=O)NCc4ccco4)ccc1c23
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID4536227,O=C(NCCC1=CCCCC1)c1ccc2c(=O)n3c(nc2c1)CCCCC3
+,,,,,,,,,,,,,,0.0,,,CID16194266,CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NCCOC
+,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID934887,CCOC(=O)Nc1ccc2c(c1)nc(CN1CCOCC1)n2C
+,,,,,,,,,0.0,,,,,,,,CID6520117,COCCN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)S/C1=N/c1ccccc1
+0.0,0.0,,,,,,0.0,,,,0.0,,,,,0.0,CID892542,Nc1nc(NCc2ccccc2)nc(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,0.0,,,,CID1478622,CC(C)CC(=O)OCc1cn(-c2ccccc2)nn1
+,,,,,,,,0.0,,,,,,,,,CID9550841,COc1cccc(N2C(SCC(=O)NCc3ccco3)=NN/C2=C2\C=Nc3ccccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID3296039,COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3CCCCC3)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID728200,CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1
+,,,,,,,,,,,,,,,,0.0,CID3245247,CCOc1ccc(-n2c(SC(C)C(=O)OC)nc3c(c2=O)SCC3)cc1
+,0.0,,,,,,,,,,,,,,,,CID652849,O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID924639,O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID308938,CCOC(=O)COc1ccc([N+](=O)[O-])cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID5307410,CCOC(=O)c1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCCC2
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,,CID4174169,CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SC
+,,,,,,,,,,0.0,,,,,,,CID3094681,C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccccc1C
+,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID663141,Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2cccc3ccccc23)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID4314835,COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(C)cc1
+,,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID1267486,CCOC(=O)c1c(CN2CCN(c3ccccc3)CC2)oc2ccc(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID1996694,COc1ccccc1C(=O)Oc1ccc2c(c1)O/C(=C\c1ccncc1)C2=O
+,,,,,,,,,,,,,0.0,,,,CID2496513,CCOc1ccc(CN(C)C(=O)CCl)cc1
+,0.0,,,,,,,0.0,,,0.0,,,,,0.0,CID2831192,O=C(NCC1CCS(=O)(=O)C1)Oc1ccccc1
+,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,CID645160,Cc1cc(C)nc(SCc2nnc(SCC(=O)NCc3ccco3)n2-c2ccccc2)n1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,,CID2997844,COCC(C)n1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O
+0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID835923,CCOC(=O)c1ccccc1NC(=O)c1cncc(Br)c1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID2081364,COc1cc2c(cc1OC)CN(C(=O)c1ccc(OC)c(S(=O)(=O)N3CCOCC3)c1)CC2
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID2945254,COC(=O)C(C(=O)Nc1ccc(OC)cc1)C1CCCCCC1
+0.0,0.0,,,,,,,,,,,,,,,,CID665231,CCOC(=O)Cc1nnc(NC(=O)COc2ccc(C)cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID840366,C/C(=N\NC(=O)c1ccc(N(C)C)cc1)c1ccc(C)cc1C
+,,,,,,0.0,,,0.0,,,0.0,,,0.0,,CID747969,COC(=O)Nc1ccccc1C(=O)N1CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID662546,Cn1c(C(=O)O)cc2cc(F)ccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID336904,O=c1c2ccccc2nc(-c2ccccc2)n1-c1nccs1
+,,,,,,,,,,,,,0.0,,,,CID2488254,Nc1nnc(SCCN2C(=O)c3ccccc3C2=O)s1
+,,,,,,,,0.0,,,,,,,,,CID1877174,O=C(Nc1ccc(Cl)cc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,,CID712744,c1ccc(-n2nnnc2-n2cnc3ccccc32)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID692256,O=C1CCC(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID16187061,Cc1ccc2cc(CCNS(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C
+,0.0,,0.0,,,,,,,,,,,,,,CID3240586,CCCCNC(=O)c1cnc2n(c1=O)CCS2
+,,,,,,,,,,,,,,0.0,,,CID6517406,Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1
+,0.0,,,,,0.0,,0.0,,,,,,,,,CID1825628,CCOCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2788143,Cc1cc(=O)nc(N/N=C/CCc2ccccc2)[nH]1
+,0.0,,,,,,,,,,,,,,0.0,,CID652488,CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C
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+,,,,,,,,,,,,,,0.0,,,CID5216640,CCCCN(CC)c1nc(N)c2c(N)nc(OCC)cc2c1C#N
+,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID662029,COc1ccc(CCn2c(-c3ccco3)nc3nc4ccccc4nc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID1226136,Cc1ccccc1Cn1nc(C)c(NC(=O)c2sc3ccccc3c2Cl)c1C
+,,,,,,,,,,,,0.0,,,,,CID2998142,Cc1sc2ncnc(SC(C)C#N)c2c1C
+,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,CID665741,COc1nc2c(C)cccc2cc1-c1noc(-c2ccncc2)n1
+,,,,,,,,0.0,,,,,,,,,CID870116,C/C(NCc1ccccc1)=C(\C#N)C(=O)NCc1ccccc1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID659523,Cc1ccc(C(C)C)c(OCCNc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
+,,,,,,,,0.0,,,,,,,,,CID1241929,COc1ccc(OC)c(NC(=O)c2ccc(NS(C)(=O)=O)cc2)c1
+0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID658085,N#Cc1c(N)nc(SCc2ccccn2)c(C#N)c1-c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID664257,CCc1ccc2nc(NC3=NCN(CCN4CCOCC4)CN3)nc(C)c2c1
+,,,,,,,,,,,,0.0,,,,,CID646681,c1cc(-c2nc3cc(Cc4ccc5oc(-c6ccncc6)nc5c4)ccc3o2)ccn1
+,,,,,0.0,,,,,,,,,,,,CID4298774,COc1ccccc1NC(=O)c1ccc(-n2cccn2)nc1
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+,,,,,0.0,,,,,,,,,,,,CID877813,COC(=O)c1ccccc1NC(=O)CSc1ncn[nH]1
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+,,,,,,0.0,,,,,,0.0,,,,,CID659844,CCCCOC(=O)CSc1nc(N)c(C#N)c(-c2ccc(OCC)cc2)c1C#N
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID2998596,Nc1cc(C(=O)OCC(=O)N2CCCC2)ccc1Cl
+,,,,,0.0,0.0,0.0,0.0,,,,,,,,,CID3245852,CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(C)c1
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+0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0,CID3239474,Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)NC1CC1
+,,,,,,,,,,,,,0.0,,,,CID2896473,COc1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC
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+,,,,,,,,,,,,,0.0,,,,CID10212,CC(C)=CCOc1c2occc2cc2ccc(=O)oc12
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID661992,CC1(C)Cc2c(sc3nn[nH]c(=O)c23)CO1
+,0.0,,,,,,,,,,,0.0,,,,,CID3246769,CCOC(=O)c1cc(OC(=O)c2cccnc2)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID4968453,CCN(C(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID689674,CCc1ccc(C2C(C#N)=C(N)SC(N)=C2C#N)cc1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID3239421,CC1CC(=O)N(Cc2ccccc2)c2ccccc2N1C=O
+,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,,CID650897,Cn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21
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+,,,,,,,,,0.0,,,,,0.0,,,CID1216073,Cc1cccc(OCC(=O)N/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c1C
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+,,,,,,,,,,,0.0,,0.0,,,,CID1430151,CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1
+,,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,CID655275,COC(=O)CSc1nnc(-c2ccc(OC)cc2OC)o1
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+,,,,,,,,,,0.0,,,,,,0.0,CID5310058,O=C(NCc1cn2ccsc2n1)c1cccs1
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+,,,,,,,0.0,,,,,,,,,,CID3241409,CCOC(=O)N1CCN(C(=O)C2c3cc(OC)c(OC)cc3C(=O)N3CCc4ccccc4C23)CC1
+,,,,,,,,,,,,,0.0,,,,CID6110232,C=CCC1=CC=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(C)cc2)C1=O
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+,,,,,,,,,,,,,0.0,,,,CID1242473,CCOc1ccc(Nc2oc(-c3cccc(Cl)c3)nc2C#N)cc1
+,,,,,,,,,,,0.0,,,,,,CID1087298,CC1(CC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)OCCCO1
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+,,,,,,,,,0.0,0.0,,,,,,,CID1190686,Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccco3)cc2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID1454948,CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1)C1CC1)c1nnnn12
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID715399,COC(=O)Cc1cc(=O)n(-c2ccccc2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID703665,Cc1cc(C)n(/N=C/c2cccc([N+](=O)[O-])c2)c(=O)c1
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+,,,,,,,,,0.0,,,,,,,,CID2199726,Clc1ccc(OCCSc2ncccn2)c2ccccc12
+,,,,,,,,,,0.0,,,,0.0,,,CID936570,COc1ccc(OC)c(-n2c(-c3cnccn3)n[nH]c2=S)c1
+,,,,,,,,,,,,,,0.0,0.0,,CID3872332,CC1(O)N(Cc2ccccc2)C(=O)OC12CCCCC2
+,,,0.0,,,,,,,,,,,,0.0,,CID4681808,CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nncn2C)s1
+,,,,,,0.0,,,,,,,,0.0,,,CID655399,Cc1cccc(N(C(=O)CCC(=O)Nc2ccccn2)C(C(=O)NC(C)C)c2ccc(O)cc2)c1
+,,,,,,,,,0.0,,,,,,,,CID734393,CC(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID713117,CC(C)Cn1c(-c2ccccc2)nc(=S)c2c1CCCC2
+,,,0.0,,,,,0.0,,0.0,,0.0,0.0,,0.0,,CID866987,CC(=O)c1c(C)[nH]c(C(=O)Nc2cccnc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID9550281,O=C(NCc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
+,,,,,,,,,,,,,,0.0,,,CID1487968,Cc1cc(Cl)ccc1Oc1nc(-c2ccccc2)ncc1S(C)(=O)=O
+,,,,,,,,,0.0,,,,,,,,CID3193556,Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C)CC2)cc1
+0.0,,,,0.0,,0.0,,,0.0,,,,,,,,CID648354,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccccc1
+,,,,,,,,,,,0.0,,,,,0.0,CID807738,CCCn1c(SCC(=O)O)nc2ccccc21
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+,0.0,,,,,0.0,,,,,,0.0,,,,,CID2106188,COC(=O)C1CCN(C(=O)CSc2nnc(-c3ccncc3)o2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1088818,O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID892020,CC(C)c1ccc(-c2[nH]c(N3CCOCC3)nc(=O)c2C#N)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID976241,C/C=C(\C)c1nnc(NC(=O)OCC)s1
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+,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,CID1354379,CCOc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
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+,,,,,,,,,,,0.0,,,,,,CID1488511,Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(Cl)n1
+,,,,,,,,,,,,,,0.0,,,CID2877796,COc1ccc(C(=O)N2N=C3CC(C)(C)OCC3C2c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1474031,COC(=O)c1ccc(-c2nc(O)c(C)s2)cc1
+,,,,,,0.0,,,,,,,,,,,CID977929,O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccncc1
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+0.0,,0.0,,,,,,,,0.0,0.0,,,,,,CID655855,O=c1[nH]c2cc3c(cc2cc1CN(CC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3
+,0.0,,,,,,,,,,,,0.0,,,,CID714698,O=C(Nc1ccccc1)c1cccnc1N1CCOCC1
+,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID5307756,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc(C(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID3227704,CCC(C)NC(=O)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1
+,,,,,,,,,,,,,,0.0,,,CID2178015,COc1ccc(N(CC(=O)NCCSCc2c(F)cccc2Cl)S(C)(=O)=O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID830081,CCOC(=O)c1ccccc1NN=C(C(C)=O)C(C)=O
+,,,,,,,,,,,,,,0.0,,,CID2092715,CCOc1ccc(Oc2c(/C=N/NC(=O)C3CC3)c(C)nn2-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID809038,O=C(Cc1ccccc1)NN1C(=O)c2ccccc2C1=O
+0.0,,,,,,0.0,,,,,,,,,,,CID718901,CCCn1nnc(NC(=O)Cc2ccc(Cl)cc2)n1
+0.0,,,,0.0,,,,,,0.0,,,,,0.0,,CID663142,Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID231111,COc1ccc(CC(=O)c2ccc(OC)c(OC)c2)cc1OC
+0.0,,,,,,,,0.0,0.0,,,,,,,0.0,CID664731,COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1
+,,0.0,,,,,,,,,,,,,,,CID973787,O=S(=O)(N1CCOCC1)n1nnc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID16196310,C=CCn1c(SC(C)C#N)nc2sc(CC)cc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID730688,O=C(c1ccc(C(=O)N2CCCCCC2)cc1)N1CCCCCC1
+,,,,,0.0,,,,,0.0,,,,,,,CID5092614,CC(C)CCNC(=O)c1ccc2c(c1)ncn2C1CCCCC1
+,0.0,,0.0,,,,,,,,,,,,,,CID651573,COC(=O)C(Cc1cnc[nH]1)NC(=O)C1CCC(=O)N1
+,,,,,,,,,,,,,0.0,,,,CID2435577,COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)NCCc3ccc(Cl)cc3)c2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID974167,CCOc1c(OC)ccc2c3c(c(=O)oc12)CCCC3
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID1376803,COc1ccccc1N1CCN(Cc2ccc(Br)o2)CC1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID645178,Cc1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1
+0.0,,,,,,,,,,,0.0,,,,,,CID20557,O=C1C2(c3ccccc3)CN(CCCO)CC1(c1ccccc1)CN(CCCO)C2
+,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID656105,CCc1c(C)nc(N)n2c(SCC(=O)N3CCN(c4ccccc4F)CC3)nnc12
+,,,,,,,,,,,,,,0.0,,,CID2113176,Cc1ccc2nc(SCc3nc(=O)c4ccccc4[nH]3)[nH]c2c1
+,,,,,,,,,,0.0,0.0,,,,,,CID3114052,CCC(C)OC(=O)C1C(c2ccccc2)C(C(=O)O)C1c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID589850,O=C1CC(C(=O)O)c2ccccc2N1
+,,,,,,,,,,,0.0,,,,,,CID1376242,CCOc1ccccc1N1CCN(C/C=C/c2ccc(N(C)C)cc2)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID1289651,COC(=O)c1c(NS(=O)(=O)c2ccc3ccccc3c2)sc2c1CCCC2
+,,0.0,,,,0.0,0.0,,0.0,,,,,,,,CID646035,CCc1ccc(NC(=O)CS(=O)CC(=O)NCC2OCCc3ccccc32)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID5739219,CCOc1ccc(C2C=C(c3ccc(F)cc3)N=C3N=CNN32)cc1
+,,0.0,,,0.0,,,,,,,,,,,,CID5307211,COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2500379,CCCCNC(=O)COc1ccccc1[N+](=O)[O-]
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,,CID2905047,CCCC(C)C(=O)Nc1nnc(C)s1
+,,,,,0.0,,0.0,,,0.0,,,,,,0.0,CID2768134,CCOC(=O)C1=C(C)N=C(/N=C/N(C)C)SC1c1ccccc1
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID647283,C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl
+,,,,,,,,,,,0.0,,,,,,CID1236178,CCOC(=O)c1nn(-c2ccccc2)c2nc(Nc3ccccc3)cc(=O)n12
+,,0.0,,,,,,,0.0,,0.0,,,,0.0,,CID2870963,O=C(CN1C(=O)C2CC=C(Cl)CC2C1=O)NCc1ccccc1
+,,0.0,,,,,,,,,,0.0,,,,,CID648230,O=C(COC(=O)C1CC(=O)N(Cc2ccco2)C1)c1ccc(OC(=O)c2ccco2)cc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID652606,Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(O)c3)n2CC2CCCO2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1508965,COC(=O)Cn1c(=O)c(C)nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID9551216,COc1ccc(OC)c(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)c1
+,,,,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,0.0,CID2854762,CCOC(=O)CSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1
+,0.0,,,,,,0.0,,,,,,,,,,CID654604,Fc1ccc(-c2noc(C3CCN(Cc4cccnc4)CC3)n2)cc1
+,,0.0,,,,,,,,,,,,,,,CID661049,CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,,,0.0,,,,,,0.0,,CID651714,Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCc4ccccc43)c(=O)[nH]c2cc1C
+,,,,,,,0.0,,,,,,,0.0,,,CID892637,Cc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(C)c1
+,,0.0,,,,,0.0,,,,,,,0.0,0.0,,CID568720,CC1(C)OC(=O)N(CCc2ccccc2)C1(C)O
+,,,,,,,,,,,,,0.0,,,,CID1258618,CCOc1cc(S(=O)(=O)n2ccnc2)ccc1Br
+,,,0.0,,,,,,,0.0,0.0,,,,,,CID868390,c1cc2cn[nH]c2cc1NC1CCCCCC1
+0.0,,0.0,,,,,,,,,,,,,,,CID653286,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2cnccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3689692,O=C(Nc1ccccc1)c1ccn(C(=O)c2ccccc2Cl)n1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2954430,Cc1cc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)nn1C
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID2998448,CC(/N=c1\ccccn1C(=O)Nc1ccc(F)cc1)c1ccco1
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID660760,COc1ccc2[nH]cc(C(=O)CN(C)CCc3ccc(OC)c(OC)c3)c2c1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID733286,COCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2
+,,,,,,,,,,0.0,,,,,,,CID1438028,Cc1ccc(NC(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1143071,Cc1nn(-c2ccccc2)c2sc(C(=O)NNC(=O)COc3cccc4ccccc34)cc12
+,,,,,0.0,,,,,,,,,,,,CID2844383,O=C(NCCc1ccccc1)C(=O)NN=C1CCCC1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID665145,CCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
+,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,,,CID662696,O=C(Cn1cc(/C=N/O)c2ccccc21)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1466624,CCCc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c(C)c(C)sc2n1
+,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,0.0,0.0,CID724386,Cc1ccccc1CSc1nnc(C)n1N
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID917279,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)C(C)(C)C
+,,,,,,,,,0.0,,,,0.0,,,,CID5018828,O=C(CCN1C(=O)COc2ccccc21)N1CCCCC1
+0.0,,,0.0,,,,,,,,,,,0.0,0.0,,CID1872802,COc1ccccc1-c1noc(-c2ccncc2)n1
+0.0,,,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,CID2239590,COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCCC2
+,,,,,,,,,,0.0,,,,,,,CID3947815,CCCn1c(SCC(=O)NC2CCCC(C)C2C)n[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID2263803,CC(=O)Nc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C=C2c2ccccc2)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID649707,COc1ccc2c(c1)c1nnc(SC)nc1n2C
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID3424071,CC(C)c1ccc2c(c1)C(=O)NC(C)(C)C2
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID666034,Cc1ccc(C2CC(=O)N3CN(c4ccc(Br)cc4)CSC3=C2C#N)o1
+,,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID666941,CC(C)(C)c1ccc(-c2noc(CCC(N)=O)n2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3241492,NC(=O)CN1CCN(c2ccccc2F)CC1
+,,,,0.0,,0.0,0.0,0.0,,,,,,,,,CID644800,CC(=O)Nc1ccc(S(=O)(=O)N2CCC(NC(=O)C(Cc3cccn3C)NC(C)=O)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2998643,CCOC(=O)C1=C(CSc2n[nH]c(N)n2)NC(=O)NC1C
+,,,,,,,,,,,,,,,,0.0,CID5310429,Cc1cccn2cc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12
+,,,,,,,,,,,,,0.0,,,,CID888212,COc1ccc(Cl)cc1C(=O)Nc1ccc(NC(=O)C(C)C)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID658242,CCCCc1nc(N2CCOCC2)c(C#N)c2c1CCCC2
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID648897,CCOCCCNC(=O)c1c[nH]c2cc(C)ccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2769116,O=C(NC1CCSC1=O)c1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID6367725,CCOC(=O)/C=C/C(=O)OCC(=O)Nc1c(Cl)cccc1Cl
+,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID665298,COC(=O)Nc1nnc(-c2ccccc2Cl)s1
+0.0,0.0,0.0,,,,,,,,,,,,0.0,,0.0,CID655933,O=C(Nc1nc2ccccc2n1CCN1CCCCC1)c1ccco1
+,,,,0.0,,0.0,,0.0,,0.0,,,,,,,CID664929,COc1cc(OC)nc(NC2OC(=O)c3ccccc32)n1
+0.0,,,,,,,,0.0,,,,,,0.0,,0.0,CID659282,Cn1c(=O)c2c(nc(Br)n2CCc2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID4967368,CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID346194,O=S(=O)(NCc1ccccc1)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID747900,CCOC(=O)Cn1nc(CC)c2ccccc2c1=O
+,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,0.0,,CID665242,Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc12
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID661344,CCN(CC)C(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)OCCOC)=C(C)N1
+,,,,,,,0.0,,,,,,,,0.0,,CID5309514,COc1ccc(CNC(=O)CS(=O)Cc2nc(-c3ccccc3C)oc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID3148158,CCn1ncc(CNC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1C
+,,,,,,,0.0,,,,,,,,,,CID72430,CC(C)C(NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID2000,CC(=O)NC(Cc1ccccc1)C(=O)O
+,,,,,,,,,,,,,,,0.0,,CID3245799,CSC1=NCCN1C(=O)c1cccc(Br)c1
+,,,,,,,,,0.0,,,,,,,,CID467461,C1CCC(C23CC4CC(CC(C4)C2)C3)NC1
+,,,,,,,,,0.0,,,,,0.0,,,CID663435,CCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1
+,,0.0,,,,,,,0.0,,,,,,,,CID649025,CC1CN(S(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)CC(C)O1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID5308643,N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1ccccc1Cl
+,,,0.0,,,,0.0,,,,,,,,,,CID5042024,CC(C)CC1NC2(C(=O)N(C)c3ccccc32)C2C(=O)N(C(C)C)C(=O)C12
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID2019250,COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID11958806,Cc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)c3ccccc3)nc2C)cs1
+,,,,,,,,,,,,,0.0,,,,CID1485316,COc1ccc(S(=O)(=O)NNC(=O)c2cc3cc4ccccc4nc3s2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1090611,CN(c1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1)S(C)(=O)=O
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID648638,CCCc1nnc(SCC(=O)N2CCOCC2)n1Cc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID5308387,O=C(C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID888621,Cc1cccc2nc(C(F)(F)F)nc(=O)n12
+,,,,,,,,,,,,,0.0,0.0,,,CID2875733,CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1819938,COc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1
+,,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID745537,CCOC(=O)c1ccc(NC(=O)Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1909040,O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc2c(c1)Cc1ccccc1-2
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID645745,COc1ccc(N2C(=O)CC(NC3CC3)C2=O)cc1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3240844,COc1ccc(N2CCN(C(CNC(=O)C3CCCCC3)c3cccnc3)CC2)cc1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID3242702,COc1ccccc1CNC(=O)c1ccc(CS(=O)(=O)c2ccccc2OC)o1
+0.0,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID3239873,Cc1cc(NC(=O)c2noc3c2CCCC3)nn1Cc1ccc(Cl)cc1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID3245846,Cc1cc(C)cc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
+,,,,,,,,,,,0.0,,,,,0.0,CID5310925,CC1=NN(c2ccccc2)C(=O)/C1=C/NO
+,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,,,,CID1291790,c1ccc(-c2oc3ncnc(N4CCOCC4)c3c2-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2141759,CCONC(=O)Nc1ccccc1
+,,,,0.0,,,,,,,,,0.0,,,,CID976556,COc1ccc(-c2nc(SC)n(C(=O)c3ccco3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1512121,N#Cc1c(Nc2cccc(F)c2)sc2c(=O)cc(O)[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID2105323,COCC(=O)OCC(=O)c1cc(C)n(-c2ccc(Br)cc2)c1C
+,,,,,,,,,,,,0.0,,,,,CID5310500,Cc1csc(NC(=O)CSc2nc(C)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,,0.0,,,,,,,,,,,,,CID890899,CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2368269,CCCCn1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
+,,,,,0.0,,,,,,,,,,,,CID4295672,Cc1ccc(C(=O)OC2CCS(=O)(=O)c3sccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID990043,COc1cnn(-c2ccccc2)c(=O)c1SCc1ccc(Cl)cc1Cl
+0.0,,0.0,,,,,,0.0,,,,,,,0.0,,CID2999569,COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307374,CC(C)Cc1cc(C(=O)Nc2cc(Br)ccc2O)no1
+,,,,,,,,,,,,,0.0,,,,CID7309410,CCOc1ccc(N/N=C2\C(=O)Nn3c2nc(C)cc3=O)cc1
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID645427,CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C1CCCCC1
+,0.0,,,,,,,,0.0,,,,,,,,CID3242999,Nc1[nH]nc2nc(N3CCOCC3)nc(-c3ccccc3)c12
+,,,,,,0.0,,,,,,,0.0,,0.0,,CID2867180,COC(=O)C1=C(C)NC(=O)CC1c1ccc(C(=O)OC)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2817811,CCOC(=O)N(C)c1ccc(C(O)(C(=O)OCC)C(F)(F)F)cc1
+,,,0.0,,,,,,,,,,,,,,CID658965,O=C(N1CCOCC1)N(Cc1ccccc1)c1ccccn1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID5310545,COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID667412,CCn1c(C)cc2c(c1=O)C(c1ccncc1)C(C#N)=C(N)O2
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID969221,CCN1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID342284,COC(=O)C(C)C1Sc2ccccc2NC1=O
+,,,,,0.0,,,0.0,0.0,,0.0,,,,,,CID1036241,Cc1cccc(C)c1NC(=O)CSc1nnc(NC(=O)CN2CCOCC2)s1
+,0.0,,,,,0.0,0.0,,0.0,,,,,,,,CID658466,C=CCOC(=O)CCC(=O)Nc1cc(OC)nc(OC)n1
+0.0,,,,,,,,,,,,,,,,,CID2967414,COc1ccc(Cl)c(N2CCN(CCCNC(=O)Nc3ccc(C)cc3)CC2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID2835542,CC1C2C(C)N(C)C(=O)N(C)C2N(C)C(=O)N1C
+,0.0,,,,0.0,,,,,0.0,,,0.0,,,,CID652810,COCc1cc(=O)n2c(-c3ccccc3OC)n[nH]c2n1
+,,,,,,,,,,,,,,0.0,,,CID12004996,CC(C)c1onc(C(=O)NCc2ccc(F)cc2)c1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID670169,CCC(C)(C)C(=O)Nc1ccc(C(N)=O)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID647876,O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1
+,,,0.0,,,,,,0.0,,,,,,,,CID5308740,Cc1csc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)n1
+,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2956602,CCOc1ccccc1NC(=O)CC1NCCNC1=O
+0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,CID665056,Cc1ccc(-c2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3[nH]2)o1
+,,,,,0.0,,,,,,0.0,,,,,,CID776712,O=C(c1ccc(F)cc1)N1CCN(C(=O)c2cccnc2)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID5309430,Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)n[nH]1
+0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID650488,C=CCN1C2CCCC1CC(NC(=O)Nc1cccc(C(C)=O)c1)C2
+,0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID2612697,COc1cccc(-c2nnc(SCC(=O)Nc3ccc(S(N)(=O)=O)cc3)n2C)c1
+,,,,,,,,,,,,,0.0,,,,CID4429286,O=C(NCc1nnc(SCc2ccc(C(F)(F)F)cc2)n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,0.0,,,,,,CID652795,Cc1ccc(Cn2nnnc2CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID4672139,COc1ccccc1CNC(=O)CCn1c(=O)oc2ccccc21
+0.0,,,0.0,,,,,,,,0.0,,,,,0.0,CID695106,CCOC(=O)C1CCN(Cc2c(O)ccc3ccccc23)CC1
+,,0.0,,,,,0.0,0.0,0.0,,,,,,0.0,,CID664682,COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc1OC
+,,,,,0.0,,,,,,0.0,,,,,,CID2879926,COc1cc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)ccc1OC(=O)N(C)C
+,,,,,,0.0,0.0,,0.0,,,0.0,,,,,CID785868,CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1
+0.0,,,,,,,,,0.0,0.0,,,,,,0.0,CID981121,CC(C)CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID656331,CCOc1cc(S(=O)(=O)NCC2OCCc3ccccc32)c(OCC)cc1-n1cnnn1
+,,,,,,,,,,,0.0,,,,,,CID978062,CC(=O)c1cccc(NC(=S)NCCC2=CCCCC2)c1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID866577,O=C(c1cc2c(=O)n3ccccc3nc2s1)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID658076,CC1(C)Cc2c(sc3ncn4nnnc4c23)CO1
+,,,,,0.0,,,,,,,,,,,,CID2442061,CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID655084,CC1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
+0.0,,0.0,,,,,,,,,,,,,,,CID646514,Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1C
+,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,0.0,CID969832,Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)N2CCCCC2)c(C)c1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID3243643,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCC12CC3CC(CC(C3)C1)C2
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID655141,CN1CCCC(C(=O)C(C#N)c2ccccc2)C1
+0.0,,,,,,0.0,,,,,,1.0,,,0.0,0.0,CID3241352,COc1ccccc1-c1cc(C(=O)NCc2ccc(Cl)cc2)no1
+,,,,,,,,,0.0,,,,,,,,CID4116017,COc1cc(NS(=O)(=O)c2cccc3nsnc23)cc(OC)c1
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID666267,CCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID2105183,CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)C(C)(C)C)c1C
+,,,,,,,,,,0.0,,,0.0,,,,CID3145237,CCCC(=O)Nc1sc2c(c1C#N)CCCCC2
+,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,0.0,CID2211034,CCOC(=O)c1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID2998275,CC(CC(=O)O)NCC1COc2ccccc2O1
+,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,0.0,0.0,CID892611,O=C(CSc1nnnn1-c1ccccc1)N1CCc2ccccc21
+,,,,,,,,,,,,,,,0.0,,CID3245487,CCCCCNC(=O)c1ccc2c(=O)[nH]c3c(C(=O)NCC4CCCO4)sc(=S)n3c2c1
+,,,,,,0.0,,,,,,,,,,,CID3238209,O=C(Nc1ccc(F)cc1F)c1cc(-c2ccco2)on1
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID1089055,Cc1ccc2c(c1)c(-c1ccccc1)nc1nncn12
+,,,,,,,,,,,0.0,,0.0,,,,CID4548500,CCCCN(C)C(=O)CSc1nc(NCc2ccc(OC)cc2)c2ccccc2n1
+0.0,,,,,0.0,,,0.0,,0.0,,,,,,,CID660569,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCC(C)CC1
+,,,,,,,,,,,,,0.0,,,,CID1548134,Cc1ccc(N(CCC(=O)O)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,0.0,CID2199885,Clc1ccc(SCCCCn2cncn2)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID651379,NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2Cc2ccc3c(c2)OCO3)CC1
+,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID2926772,COC(=O)c1ccc(NC2(C#N)C(=O)Nc3ccccc32)cc1
+,,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID1242868,CCOc1cc(S(=O)(=O)NC2CC(C)(C)NC(C)(C)C2)ccc1F
+,,,,0.0,,0.0,,,,,0.0,,,,,,CID660817,CCSc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccco4)n12)CCCC3
+,0.0,,,0.0,,,,,,,,,,,,,CID2389945,Cc1nc(N)sc1Cc1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,CID3236955,CCOc1ccc(-n2c(C)nc3cc(C(=O)NCc4ccco4)ccc32)cc1
+,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,,0.0,CID1243052,CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID653054,O=C(NC1CCCCC1)N(Cc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID645650,O=C(Nc1cccc(NC(=O)c2nccc3ccccc23)c1)c1ccco1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3243811,CCn1cc(C(=O)NC2CCC(C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID4076245,CN(NC(=O)C1CC(=O)N(c2ccccc2)C1)C1=NS(=O)(=O)c2ccccc21
+,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,CID974713,Cc1ccc(SCc2nc(-c3cccnc3)no2)cc1
+,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,0.0,,CID1989701,COCCNCCOCCOc1cccc(OC)c1
+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2213731,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(Br)o1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2083812,CCOC(=O)c1c(C)[nH]c(C(=O)Cn2nnc(-c3ccccc3)n2)c1C
+,,,,,,,0.0,,,,,,,,,,CID3580533,CC(C)(C)NC(=O)CC(CC(=O)O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID845132,O=C(Nn1cnnc1)c1ccc(Br)s1
+,,,,,,,,,,,,0.0,,,,,CID657495,Cc1cc(C#N)c2ccccc2n1
+,0.0,,,,,,,,,,,,,,,,CID650273,Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCOCC2)cc1
+,,,,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,CID1960010,CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21
+,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID2109903,CC(C)c1nc(SCC(=O)NCc2ccccc2)n[nH]1
+,0.0,,,0.0,,,0.0,,,,,,,0.0,,,CID606801,COc1cc(C(=O)Nc2nccs2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID4067220,CCN(CC)CCCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
+,,,,,,,,,,,,,0.0,,,,CID4038841,O=C(O)CC1S/C(=N\N=C\c2ccc(Br)cc2)N(c2ccccc2)C1=O
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,,CID3239000,Cn1cnc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)c1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID707658,CCOC(=O)c1c(N)n[nH]c1-c1ccc(OC)cc1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5307444,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1
+0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,0.0,,0.0,,,CID564890,O=C(c1ccccc1)c1nc[nH]c1C(=O)Nc1ccccc1
+0.0,,,,,,,,0.0,,,,,,,,,CID3242088,Cc1cc(NCc2ccc(F)cc2Cl)n2nnnc2n1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,,,CID2570052,CCCn1c(=O)c2ccccc2n2c(SCC(=O)Nc3cc(C)on3)nnc12
+0.0,,,,,,,,,0.0,,,,,,,,CID5308853,CCn1c2ccccc2c2nnc(SCc3ccccc3)nc21
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID55660,O=c1oc2ccccc2c2c1ncn2C1CCCCC1
+,,0.0,,,,,,,,,,,,,,0.0,CID659293,Nc1c(C(=O)NCCN2CCOCC2)c2nc3ccccc3nc2n1Cc1ccco1
+0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,,CID3237866,COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCC3)c2=O)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID649931,Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1-n1cnnn1
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID2965665,Cc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3cc(Br)ccc3n2)o1
+,,,,,,0.0,,,,,,0.0,,,,,CID5308314,O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,,,,0.0,,,,,,0.0,,,CID1836407,Cc1[nH]c2ccc(OC(=O)N3CCOCC3)cc2c1C(=O)OC(C)C
+,,,,,0.0,,,,,,,0.0,,,,,CID3238178,COC(=O)c1ccc(Sc2ccc(C)cc2)c(N)c1
+,,,,,,,,,,,0.0,,,,,,CID1257113,COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1
+0.0,,,,0.0,,,,,,,0.0,0.0,,,,,CID945378,Cc1[nH]c(N2CCc3ccccc32)nc(=O)c1CCC(C)C
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID403571,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID660341,CCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID644506,COc1ccc(CNC(=O)C(c2cccs2)N(C(=O)c2csnn2)C2CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID5941347,N/C(=N\OS(=O)(=O)c1ccc(Cl)cc1)c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID2473638,CCCn1c(=O)c2c(C(=O)OCC)cc(-c3ccco3)nc2n(CCC)c1=O
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID646628,Cc1ccccc1Cn1c(C(C)O)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2166178,COc1ccc(/C=N/NC(=O)C(N)=O)c(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID828342,CCc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1
+,,0.0,,,,,,,,,0.0,,,0.0,,,CID650463,O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1ccco1
+,,,,,,,,0.0,0.0,,,,,,,,CID3149188,O=C(COc1ccccc1)N1CCN(C2CC3CCC2C3)CC1
+,,,,,,,,,,,,,0.0,,,,CID16189465,CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID2950607,Cc1ccc(S(=O)(=O)/N=C(\c2ccccc2)N(C)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID676284,CCn1c(-c2cccc(Br)c2)n[nH]c1=S
+,0.0,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID5310305,Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID1015492,Cc1ccc(C)c(OCC(=O)Nc2nonc2NC(=O)COc2cc(C)ccc2C)c1
+,,,,,0.0,,,,,,,,,,,,CID1372339,Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1
+,,,,0.0,,,,,,,,,,,,,CID2164708,Cc1cc(NC(=O)c2cc3nc(C4CC4)cc(C(F)(F)F)n3n2)no1
+,,,,,,,,,,,0.0,,,,,,CID2416758,COc1ccc(C)cc1NC(=O)COC(=O)c1c(C)noc1C
+,,,,,,,,,,,0.0,,,0.0,,,CID2233435,Cc1nc2ccc(C(=O)OCc3ccccc3Br)cc2nc1C
+,,,,0.0,,,,,,,,,,,,0.0,CID3244362,CC(=O)c1ccc(NC(=O)c2noc3c2CCCCC3)cc1
+,,,,,,,,,,,0.0,,,,,,CID1764598,CC(/C=N/NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)=C\c1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID1206147,COc1ccc2oc(=O)c(-c3ccccc3C(=O)N3CCOCC3)cc2c1
+,,,,,,,,,,,0.0,0.0,,,,,CID738096,CS(=O)(=O)Nc1ccc2c(c1)C(=O)OC2
+,,,,,,0.0,,0.0,,,,,,,,,CID651358,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCN5CCCC5C4)c3n2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID847942,CCOC(=O)c1ccc(CNC(=O)c2n[nH]c(=O)c3ccccc23)o1
+0.0,,,,,,,,,,,,,,,,,CID652251,CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID673694,CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C
+,,,0.0,,,0.0,,,,,,,0.0,0.0,,,CID5310893,CCOC(=O)/C=C1\CC(=O)N=C2NONC2=N1
+,,,,,,,,,,,,,0.0,,,,CID2927973,O=[N+]([O-])c1ccc(N2CCOCC2)cn1
+,,,,,,,,,,,,,,0.0,,,CID4538843,O=C(Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1)C1COc2ccccc2O1
+,,,,,0.0,,,,,,,,,,,,CID996575,COC(=O)c1ccc(Cl)c(-c2ccc(/C=N/NC(=O)Nc3ccccc3)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID1226902,COc1ccccc1NC(=S)NC(=O)/C=C/c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1448206,CCCc1cc(N2CCC(C(N)=O)CC2)nc(-c2ccccc2)n1
+,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID659635,COc1ccc(Cc2c(O)n(C(C)=O)c(SC)nc2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID760383,COc1ccc(/C=N/NC(=O)c2ccoc2C)cc1OC
+,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,CID645847,Cc1cc(C)c2cc(CN(CC3CCCO3)S(=O)(=O)c3ccc4c(c3)OCCO4)c(=O)[nH]c2c1
+0.0,,,,,,0.0,,,,,,,,,,,CID1246379,Cc1occc1C(=O)Nc1c(F)cc(F)cc1Br
+,,,,,,,,,,,,,,0.0,,,CID4878643,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1nccn1C
+,,,,,,,,,,,,,,0.0,,,CID1857545,CCOC(=O)c1cccc(-n2c(-c3ccc(OC)cc3)nc3nc4ccccc4nc32)c1
+,,,,,0.0,,,,,,,,,,,,CID835622,Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1C
+,,,,0.0,,,,,,,,,,,0.0,,CID3245165,CCOC(=O)CSc1nc2c(sc(=S)n2Cc2ccco2)c(=O)n1-c1ccc(F)cc1
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,CID2192280,Cc1cnc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)s1
+,,,,,,,,,,,,,,0.0,,,CID2549706,CC(=O)c1ccc(Oc2nc(-c3cccnc3)nc3ccccc23)cc1
+0.0,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,,CID656165,Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCOCC3)cc2c1
+0.0,,,0.0,,0.0,,,,0.0,,,,,,,,CID3236590,O=C(c1cc(-c2ccc3c(c2)OCO3)on1)N1CCN(c2ccc(F)cc2)CC1
+,,0.0,,,,,,,0.0,,,0.0,,,,0.0,CID2877411,O=C1CC(N2CCN(c3ccccc3Cl)CC2)C(=O)N1c1ccccc1
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,CID3240118,COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1sccc1C
+,,,,,0.0,,,,,,,,,,0.0,,CID3244326,Cc1ccc(C2N(c3nccs3)C(=O)C3CCCN32)cc1
+0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,,CID665435,COc1ccc2nc3c(cc2c1)c(NC(=O)c1cccs1)nn3CC(C)C
+,,,,,,,,,,,,,,0.0,,,CID2450516,COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)COc1ccccc1F
+,,,,,,,,,0.0,,,,,,,,CID3156585,COc1ccc(N2C(=O)C3CCCN3C2=O)cc1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID752288,Cc1ccc2nc(SCC(=O)O)nc(C)c2c1
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+,,,,,,,,,,0.0,0.0,,,,,,CID3241032,O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C1CCCC1
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+,,0.0,,,,,,,,,,,,,,,CID5390027,CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccccc2)N1
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+,,,0.0,,,,,,,,,,,,,,CID5309619,COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2cccc3cccnc23)cc(OC)c1OC
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+,,,,0.0,,,,,,,0.0,,,,,,CID2400907,O=S1(=O)CCN2C(Cc3ccc(SC(F)F)cc3)=CSC2=N1
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+,,,,,,,0.0,,,,,,,,,,CID5309350,CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(OC)c(OC)c(OC)c2)CC1
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID664438,O=C(Nc1ncc2c(n1)CC(c1ccco1)CC2=O)c1ccc(Cl)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,,CID660173,Nn1c(COc2ccccc2)nc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID2206068,CCOC(=O)c1ccc(NC(=S)N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID366464,COc1ccc2c(c1)[n+](=O)c(C(C)=O)c(C)n2[O-]
+,,,,,,,,,,,,,,0.0,,,CID11958669,CCCCNC(=O)c1onc(CSc2cc(C)ccc2C)c1C(=O)O
+,,0.0,,,,,,,,,0.0,0.0,0.0,,,,CID691702,CCOC(=O)c1nnn(-c2nonc2N)c1COc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16088,Clc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
+,,,,,,,0.0,,,,,,,,,,CID3242206,O=C1CN(S(=O)(=O)c2ccc(F)cc2)CC(=O)N1CCc1ccccc1
+,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID1085631,COC(=O)c1ccc(C)c(NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1
+,,,,,,,,,,,0.0,,,,,,CID3154676,O=C(Cc1ccccc1)NCC(=O)OCC(=O)c1cccs1
+,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,CID2999978,COc1ccccc1N(CCC#N)C(=O)CSc1nc(-c2ccccc2)cn1N
+,,,0.0,,,0.0,,,,,,,,,,,CID2978755,CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2Cl)CC1
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,,CID2942501,Cc1nc2cc(NC(=O)N3c4ccccc4CC3C)ccc2o1
+,0.0,,,,,,,,,0.0,,,,,,,CID5212172,CN(C)C(CNC(=O)c1cccs1)c1cccnc1
+,0.0,,,,,,,,0.0,,,,,,,,CID3237636,O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccco1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID3241958,COc1cccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)no2)c1
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2999753,OC(c1cccs1)c1nccc2ccccc12
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID468640,Cc1ccc(C)n1NC(=O)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID2397719,CCCn1c(SCc2nc3sc(C)c(C)c3c(=O)[nH]2)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID924631,Cc1ccccc1OCC(=O)NC1=NCCS1
+,,,,,0.0,,,,,,,,,,,,CID1026623,Cc1cccc(-c2nnc(-c3cccc(NC(=O)Cc4cccs4)c3)o2)c1
+,,,,,,,,0.0,,,,,,,,,CID659676,CCC(C(=O)Nc1ncccn1)(C(F)(F)F)C(F)(F)F
+,,,,,,0.0,,,,,,,,,,,CID662759,CC1(C)CC(=O)C2=C(C1)N(Cc1ccco1)C(=O)C2(O)C(F)(F)F
+,,,,,,,,,,,,,,0.0,,,CID5541621,C=CCN1C(=O)/C(=C/Nc2ccc(Cc3ccncc3)cc2)C(=O)NC1=S
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID660419,CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccsc3)C2C1
+,,,,,,0.0,,,,,,,,,,,CID3593662,O=C(c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)N1CCN(c2ncccn2)CC1
+,0.0,,,,,,,,,0.0,,,,,,,CID660039,Cc1ccc2c(C(=O)CN3CCCCC3CCO)c(C)[nH]c2c1
+0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,CID3243763,CCOc1ccc(Cc2nc(=O)c(CC(=O)N3CCCCC3)c(C)[nH]2)cc1
+,,,0.0,,,,,,,0.0,,,,,,,CID5309318,COCCNC(=O)Cn1ncc2ccsc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID1561913,CN(C1=NC(=O)/C(=C\c2ccc(Cl)cc2)S1)c1ccc(O)cc1
+0.0,0.0,,,,0.0,0.0,,,,,,,,,,,CID657467,COc1cccc(NC(=O)Cc2c(O)[nH]c3ccccc3c2=O)c1
+,,,,,,,,,0.0,,,,,,,,CID3237296,CCCCC(NC(C)=O)c1nc2ccccc2n1CCCC
+,0.0,,,,0.0,,,,,,,,,,,,CID665517,Cc1ccc2c(c1)c1ncnc(N3CCC4(CC3)OCCO4)c1n2C
+0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,CID650650,CCCn1c(SCC(=O)Nc2nccs2)nnc1-c1cccnc1
+,,,,,,0.0,,,,,,,,,,,CID5310140,Cn1cc(S(=O)(=O)Nc2ccc(Br)cc2F)c(=O)n(C)c1=O
+,,,0.0,,,,,,,,,0.0,,,,,CID1987882,OCCNCCCCCOc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID1541674,Cc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1201148,O=C(O)CCN1C(=O)/C(=C\c2ccncc2)SC1=S
+,,,,,0.0,,,,,,,,,,,,CID259071,Cc1ccccc1N1CCN(C(=S)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2982743,CC(C)(C)OC(=O)NNC1CC(=O)N(c2ccccc2F)C1=O
+,,,,,,,0.0,,,0.0,,,,,,,CID5389730,CCc1ccccc1NC(=O)NC(C)C(=O)O
+0.0,,,,,,,,,,,,,,,,,CID2953497,CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID5760335,O=C1OC(c2ccccc2)=N/C1=C\NCc1ccccc1
+0.0,,,,,,0.0,,,,,,,,0.0,0.0,,CID5309337,CCc1cccc(NC(=O)Cn2cc3c(n2)CCCC3)c1
+,,,,,,,,0.0,,,,,,,,,CID1478745,COc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1
+0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,,,CID3239299,CN(C)C(=O)c1ccc(Oc2ccc(C(=O)N(C)C)cc2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID2952359,CCCC(=O)Nc1ccc(C(=O)NCC2CCCO2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307845,COc1ccc(N2CCN(C(=O)c3ccc4nc(N5CCCCC5)sc4c3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3545035,Cc1ccc(-c2nc(C3CCN(S(=O)(=O)c4ccc(C(C)(C)C)cc4)CC3)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID784692,Cc1ccc(C(=O)CC(=O)c2ccccc2C)c(O)c1
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID2850705,CCn1c(C(O)c2ccccc2)nc2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID5505,CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID429249,COc1ccc(C2=NCCc3cc(OC)c(OC)cc32)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2862130,CCC1=Nc2ccc(Br)cc2C(c2ccccc2)N1CC(=O)OC
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID782864,CCN1CCN(Cc2coc3ccc(C)cc3c2=O)CC1
+,,,0.0,,,,,,,,,,,,,,CID3146872,c1nc2sc3c(c2c2nnnn12)CCC3
+,0.0,,,,,,,,,,,,,,,0.0,CID645542,O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,,,,CID5390043,CC1=CC(=O)/C(=C2/NNC3=C2C(c2cccc(O)c2)N(Cc2cccnc2)C3=O)C=C1Cl
+,,,,,,,,,,,0.0,,,,,,CID1488777,Cc1oncc1-c1cn2ccccc2n1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,,,CID2931607,Cc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1
+,,,,0.0,,,,,,,,0.0,,,,,CID3245248,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2COc3ccccc3O2)C1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID977334,CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccc1
+,,,,,,0.0,,,,0.0,,0.0,,0.0,,,CID651707,CCCCC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1
+,,0.0,,,,,,,0.0,,0.0,,,,,,CID661006,COC(=O)c1ccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN(C)C)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID676760,Nc1nnc(CCc2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID3720542,O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID3240861,CCOC(=O)N1CCN(C(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1
+0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID935269,CN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccccc1
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+,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID5327,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
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+,,0.0,,,,,,,0.0,0.0,,0.0,,,,,CID2999281,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CC(C)OC(C)C1
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+,0.0,,,,,,,,,,,,,,,,CID5309072,O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCc2ccccc2C1
+,,,,,,,,,,,0.0,,,,0.0,,CID737273,Nc1nc(SCc2ccc(Cl)cc2Cl)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID872811,Cc1ccc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1
+,,,,,,,,,,0.0,,,,,,,CID2575484,C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Br)cc1
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+0.0,,,,0.0,,,,,,,,,,,,0.0,CID645580,O=C(NCc1ccco1)c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1
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+0.0,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID2156119,COc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c([nH]c4ccccc43)c2=O)cc1
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+,,,,,,,,,0.0,,,,,,,,CID1299637,CC(=O)Nc1cccc(-c2nnc(SCC(=O)n3c4c(c5ccccc53)CCCC4)n2C)c1
+,,0.0,,,,,,,0.0,,0.0,,,,0.0,,CID3238485,CCC(C)(C(=O)NC1CCCCC1)N(C(=O)c1cnccn1)c1c(C)n(C)n(-c2ccccc2)c1=O
+0.0,,,,,0.0,,,,,,,,,,,,CID5309633,COc1ccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)cc1
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID1352925,O=C(c1ccccc1Oc1ccccc1)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,,,,,0.0,,,,0.0,,CID3244872,Nn1c(CSc2nc3ccccc3o2)nnc1CSc1nc2ccccc2o1
+,,,,,,,,,,,,,,,0.0,,CID665751,Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2CCCC32)cc1
+0.0,,0.0,0.0,0.0,0.0,1.0,,,0.0,0.0,,,,,,,CID644745,CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1
+,0.0,0.0,,,,,,,,0.0,0.0,,,,,,CID659484,CCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
+0.0,,0.0,,,,,,,,0.0,,,,,,0.0,CID664562,N#Cc1nc(-c2ccco2)oc1N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,0.0,,,,,CID772165,O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
+,,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,CID667331,COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)c(OC)c1OC
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID3156106,COc1ccccc1-c1c(C)nn2c(C)cc(C)nc12
+,,,0.0,0.0,,,,0.0,,,,,,,0.0,,CID644600,COCCN(CC(=O)NCc1ccc(OC)cc1)C(=O)CCC(=O)Nc1nccs1
+,,,,,,,0.0,,0.0,,,,,,,,CID663900,Cc1ccccc1CS(=O)(=O)c1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1
+,,,,,,,,,,,,,,,,0.0,CID3241638,COc1ccc(N2C(=O)C3CCCN3C2c2cccc(F)c2)cc1Cl
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID2210882,CCOC(=O)c1ccc(NC(=O)N2CCN(Cc3cccc(F)c3)CC2)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID804632,O=c1c2c(nc3c(-c4ccccc4)c[nH]n13)CCCC2
+,,,,,,,,,,0.0,,,,,,,CID5192815,COC(=O)C(C(=O)OC)c1ccccc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID2764678,CCNC(=O)n1nccc1C(C)Oc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID3242302,CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1ccccn1
+,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID665468,CCN(CC)C(=O)CSc1nc2ncccc2[nH]1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID762833,CCOc1ccc(OCC)c2sc(C)nc12
+,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,CID646536,CC(C)c1nnc(SCC(=O)NCc2ccco2)n1C
+,,,,,0.0,,,,,,,,,,,,CID876833,O=C(NCc1ccccc1)C(NC(=O)c1ccccc1)=C1CCCCC1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,0.0,0.0,,CID2216312,CCOc1ccccc1NC(=O)CSc1nnnn1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID15987900,CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c2cc(OC)c(OC)cc2c1=O
+,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,CID653975,Cc1cc(NCCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
+0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,CID650164,Cn1nnnc1SCC(=O)N(C1CCCCC1)C1CCCCC1
+0.0,0.0,,,,0.0,,,,,,0.0,0.0,,,,0.0,CID2165724,CCn1c2ccccc2c2cc(CN3CCN(C(=O)c4ccco4)CC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID1281724,O=C(CSc1ccc2ccccc2n1)Nc1nsc(-c2ccc(Cl)cc2)n1
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+,,,0.0,,,,,,,,,,,,,,CID659674,COC(=O)/C=c1\sc2n(c1=O)CCN=2
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+,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,CID645679,O=c1oc2ccccc2n1CSC1=NCCS1
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+,0.0,,,,,,,0.0,0.0,,,0.0,,,,,CID2979657,Cc1nc(NCc2ccco2)nc2c1C(=O)CC(C)C2
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+,0.0,,,,,,,,,,0.0,0.0,,,,,CID2998034,COc1ccccc1NC(=O)N(Cc1ccccc1)c1ccccn1
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+,,0.0,,,,,,,,,0.0,,,,,,CID2948326,COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1
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+,,,,,0.0,,,,,,,,,,,,CID4809906,CCCCn1c(SCC(=O)N2CCCCC2C)nc2cc(S(N)(=O)=O)ccc21
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+,,,,,,,,,,,,,,,0.0,,CID5397994,O=C1Oc2ccccc2C(=O)/C1=C/Nc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1487555,COC(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)c([N+](=O)[O-])c1
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+,,,,,,,,0.0,,,0.0,,,,,,CID867955,CC1(C)Cc2ccccc2C(NNC(=O)c2ccccn2)=N1
+,,0.0,,,,,,,,,,,,,,,CID5310200,Cc1nc(CNS(=O)(=O)c2ccccc2F)cs1
+,,0.0,,,,,,0.0,,,,,,,,,CID563461,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)O)cc1
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+,,0.0,,0.0,,,,,,,,,,,,,CID3239546,O=c1sc(Nc2ccccc2)nc2ccsc12
+,,,,,0.0,,,,,,,,,,,,CID1562009,CCCOc1ccc(C(=S)N2CCN(c3cccc(C)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2254838,O=C(Nc1ccccc1)OCCCc1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID5389224,O=C1C=CC=C/C1=C1/CC(c2ccccc2)n2c(nc3ccccc32)N1
+,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,0.0,CID645019,O=C(Nc1cccc2c1CCCC2)C1CCN(C(=O)NC2CCCCC2)CC1
+0.0,,,0.0,,,,,,,0.0,,,,,,0.0,CID2232318,CCN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2106758,CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)OCC(N)=O)C(C)C)c1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID2998346,COc1cc(C(=O)NCC(=O)OCC(=O)c2ccc[nH]2)cc(OC)c1OC
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID5389697,CCCCSc1nnc(C(C)NC(=O)OC(C)(C)C)o1
+0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,CID656381,Cc1ccc2nc(CCc3nc4ccc(C)cc4o3)oc2c1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID4292582,COc1ccc(NC(=O)Nc2nnc(N3CCC(C)CC3)s2)cc1OC
+,0.0,0.0,,,,,,,,0.0,,,,,,0.0,CID655780,O=C(O)CCC(=O)N1CCC(C(=O)c2cccc(Cl)c2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2969229,COC(=O)c1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2475059,CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)o1
+,,,,,,,,,0.0,,,,0.0,,,,CID383291,CCOC(=O)c1ccc(/N=C2/C(=S)N(c3ccc(C(=O)OCC)cc3)C(=N)N2/N=C/c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1309437,COc1ccc(Cl)cc1N(CC(=O)Nc1cccc(SC)c1)S(C)(=O)=O
+0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,,,CID2872890,Cc1ccc(N2CC(C(=O)OCc3ccccc3)CC2=O)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1315708,CC(=O)Nc1c(O)nc(SCC(=O)Nc2c(C)cccc2C)[nH]c1=O
+0.0,,,0.0,,0.0,,0.0,,,,,,,,,,CID646684,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CC(=O)c1ccccc1
+,,,,,,,0.0,0.0,,0.0,,,,,,0.0,CID3239380,CCOc1ccccc1NC(=O)Cn1c(=O)n(CCC(=O)NC2CCCC2)c(=O)c2ccccc21
+,,,,,,,,,,,0.0,,0.0,,,,CID1287796,O=C(Nc1ccc(F)cc1)c1cn(-c2ccccc2)nc1-c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID3264275,Cc1ccc(C)c(N2CCN(C(=O)CN3C(=S)NC(C)(C)CC3C)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2565923,N#C/C(=C\c1cn[nH]c1-c1ccccc1Br)C(=O)O
+,,,,,,,,,,,0.0,,,,,,CID716593,Cc1oc(-c2ccccc2)cc1C(=O)Nc1ccccc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID3240931,CC1=C(C#N)C(Nc2cccc(C)n2)(C(F)(F)F)C(=O)N1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID4163284,COc1ccc(OC)c2[nH]c(=O)c(CCNC(C)=O)cc12
+,,,,,,,,0.0,,,0.0,,,,,,CID3220741,COc1ccc(C(=O)NC2CCN(CC(=O)Nc3cccc(C)c3)CC2)cc1OC
+,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,CID729956,O=c1nc(SCc2ccccc2Cl)[nH]c2c1CCC2
+,0.0,,,,,,0.0,,,,,,,,,,CID649378,Cc1ccc2cc(C#N)c(NCCCNC(=O)C3CCCO3)nc2c1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID3237666,CCOc1ccccc1NC(=O)Cn1nnc(C(=O)Nc2ccc(C)cc2)c1N
+,,,,,,0.0,,,,,,,,,,,CID2999468,COc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C(=O)N2C)cc(OC)c1OC
+,,,,,,,,0.0,,,,,,,,0.0,CID647000,COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3C)cc2)nc(OC)n1
+0.0,,,,,,0.0,,,,,,,0.0,,,,CID802777,Cc1cc(C)nc(SCSc2nc(C)cc(C)n2)n1
+,,,0.0,,,,,,,,,,,,,,CID2964399,O=C(NCc1ccco1)C1CC(=O)N(c2ccc(F)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID5110221,CCN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)NC(C)(C)C)c2)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID3244596,O=C(CN1C(=O)COc2ccccc21)NCCCN1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID2820385,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC1CCSC1=O
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID5052702,CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID3333952,Cc1ccc(N(CC(N)=O)C2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID3245409,COc1ccc2oc(=O)c(-c3nnc(NCc4ccco4)s3)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID3250041,COc1ccccc1/C=N/n1c(C)nnc1-n1nc(C)cc1C
+0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,,CID660399,Cc1ccc(NC2SC(=O)N(Cc3cccc(C(=O)O)c3)C2=O)cc1
+0.0,,,,0.0,0.0,0.0,,,,,,,,,,,CID663143,CCOc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID2940154,NC(=O)C1CCCN(C(=O)c2ccc(Cl)cc2)C1
+0.0,,,,0.0,,,,0.0,,,0.0,,,,,,CID3240962,Cc1cccc(N(C)C(=O)c2cc3cc4ccc(C)cc4nc3o2)c1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID690911,On1onc2c3cc(-c4ccccc4)nc3ccc21
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2162777,O=C(COc1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2cccnc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1485116,O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1ccc(Cl)cc1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID5389925,O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCC1
+,,,,,,,0.0,,,,,,,,,,CID3237447,COC1(OC)N=C(N)C2(C#N)C(c3ccc4c(c3)OCO4)C12C#N
+,,,,0.0,,,,,,,,,,,,,CID662399,COCc1cc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2CCOCCO)ccc1O
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+,,,,,,,,,,,0.0,,,,,,CID3226877,Cc1noc(C)c1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1F
+0.0,0.0,,,,,0.0,,,,,,,,,,0.0,CID651809,CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
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+,,,0.0,0.0,,,,,,0.0,,,,,,,CID1979183,N#Cc1nc(-c2cccs2)oc1NCCCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID5295507,CCn1ncc(Br)c1C(=O)Nc1cccc(F)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID2627555,O=C(COc1ccc(F)cc1Br)N1CCc2ccccc21
+,,,,,,,,,,,,,,,,0.0,CID658657,CCOC(=O)C(NCc1ccc2c(c1)OCO2)(NC(=O)CC)C(F)(F)F
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+,,,,,,,,,,,,,0.0,,,,CID1962220,CCOC(=O)c1sc(=S)n(C)c1NC(=O)c1ccccc1Cl
+,0.0,0.0,,,,,,,,,,,,,,,CID3242997,O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(c2ccccn2)CC1
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+,0.0,,,,,,,,,0.0,,,,,,,CID3238324,COC(=O)C(C)Sc1ncnc2c1nnn2-c1ccc(F)cc1
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+,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,CID655921,O=C(Cn1nnc(-c2cccs2)n1)N1CCc2ccccc2C1
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+,,,,,1.0,,,,,,,,,,,,CID6504838,O=C(Nc1cccc2ccccc12)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1
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+,,,,,,,0.0,,0.0,,,,,,,0.0,CID2944636,CCC(=O)N1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1
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+,,0.0,0.0,,,,0.0,0.0,,,,,,,,,CID666411,COCCCNC(=O)CCc1nc(-c2ccccc2)no1
+,,,,,0.0,,,,,,,,,,,,CID4877756,Cc1cc(C(=O)CSc2nc3ccccc3n2C)c(C)n1C
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+,,,,,,,,,,,,,0.0,,,,CID1447417,COc1ccccc1NC(=S)N1CCN(c2nc(-c3ccccc3)cs2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4593674,O=C(NCc1ccc2c(c1)OCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1
+,,,,0.0,,,,,,,,,,,,,CID657946,CC1(C)Nc2ccc(O)cc2-c2c1ssc2=S
+,,0.0,,,,,,,,,,0.0,,,,,CID5307573,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N(C)Cc3ccco3)ccc21
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2855196,COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccc(O)c(OC)c2)cc1
+,0.0,0.0,,,,,0.0,,,,,,0.0,,,,CID2941048,NS(=O)(=O)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
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+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID646464,CC1CCCN(c2ccc(C(=O)NCc3cccs3)cn2)C1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID653472,COc1ccccc1N1CCN(C(=O)CSc2ccc3c(C)cc(C)nc3n2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3126365,CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1
+0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,0.0,CID2941166,N#Cc1nc(-c2ccccc2Cl)oc1NCC1CCCO1
+,,,,0.0,,,0.0,,,,,,,,,,CID3238955,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCN3CCCCCC3)CC2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2348083,COc1cc(/C=C/C(=O)N(C)c2ccccc2C(=O)O)cc(OC)c1OC
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+,0.0,,,,,,0.0,,,,,,,,,,CID5308038,Cc1cc(-c2ccco2)n(CC(=O)NCCN(C)C)n1
+,,,,0.0,0.0,,,,,,,,,0.0,,,CID3241385,COc1ccccc1CNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)nn(C)c1C
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+,,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,,,,CID2204762,COc1ccccc1C(=O)NCCNC(=O)c1ccco1
+,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,,CID1228917,CCOC(=O)Cn1cc(-c2ccccc2)nn1
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+,0.0,,,0.0,0.0,,,,,0.0,0.0,,,,,,CID651210,COc1ccccc1C(c1nnnn1CS(=O)(=O)c1ccc(C)cc1)N1CCSCC1
+,,,,,,,,,,,0.0,,,,,,CID2394115,CCNC(=O)CN1C(=O)NC2(CCCCCC2)C1=O
+,,,,,,,,,,,,,1.0,,,,CID2732003,CC1(C)CC(=O)C=C(OC(=O)c2ccc(Cl)cc2)C1
+,,,,,,,0.0,,,,,,,,,,CID3236246,CCC(Sc1ccc2nnc(-c3ccc(OC)c(OC)c3)n2n1)C(=O)O
+,,,,,,,,,,,0.0,,,,,,CID3507590,CC1Sc2ccc(C(=O)O)cc2NC1=O
+,,,,0.0,,,,,,,,,,,,,CID3238716,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCN(c3ccccc3)CC2)o1
+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID663462,CCC1(NC(C)=O)CC2CC1CC2NC(C)=O
+,,,0.0,,,,,,,,,,,,,,CID2345699,Cn1nnnc1SCc1csc(Nc2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2863448,COc1cccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(c2ccccc2)C3)c1OC
+,,,0.0,,,,,0.0,0.0,,,,,,0.0,,CID725661,Cc1cccc(NC(=O)c2cc3ccccc3o2)c1
+0.0,,,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,CID650811,O=c1oc2ccc3ccccc3c2cc1-c1nnc(-c2ccccc2)o1
+,,,,,0.0,,,,,,,,0.0,,,,CID664894,O=C(Oc1cc(=O)oc2ccccc12)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID4283445,CCOC(=O)c1ccc(-n2c(N)c(C(=O)NCC3CCCO3)sc2=S)cc1
+,,,,,,,,,,,,,,0.0,,,CID4103253,CC(=O)NN1C(=O)c2ccccc2NC1c1ccccn1
+0.0,,,,0.0,,,,,,,,,,,,,CID3245549,Cc1ccc(-c2nc(C3CCCN(S(=O)(=O)c4ccc(C(F)(F)F)cc4)C3)no2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2834772,CCCCc1oc2c(c(=O)c1C)C(=O)CC(c1ccccc1)C2
+,,0.0,,,,,,0.0,,,,0.0,,,,0.0,CID1237743,CCOc1ccc(Cc2nc(=O)c(CC(=O)N3CCOCC3)c(C)[nH]2)cc1
+,,,,,,,,,0.0,,,,,,,,CID6537751,O=C1C=Cc2ccccc2/C1=C/Nc1ccc(N2CCOCC2)cc1
+,,,,,,0.0,,,0.0,,,,,,,,CID2258276,CCCc1nnc(NC(=O)CSc2ncn[nH]2)s1
+,,,,,,,,0.0,,0.0,,,,,,,CID1250236,Cc1ccc2nc(NC(=O)COC(=O)c3ccc(Br)o3)sc2c1
+,0.0,,0.0,,,,,,,,,,,0.0,0.0,,CID3244406,CCCS(=O)(=O)N1CCC(C(=O)NCc2cccnc2)CC1
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID649403,CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID1473602,CCOC(=O)c1c(-c2ccccc2)nc2ccc(C)cn12
+,0.0,0.0,0.0,1.0,,,,0.0,,,,0.0,0.0,,,,CID2187510,Cc1ccc(-n2c(N)c(C(=O)N3CCCCC3)sc2=S)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID2918824,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID649709,COc1ccc(-c2cc3nc4c(c(N5CCC6(CC5)OCCO6)n3n2)CCCC4)cc1
+,,,,,0.0,,,,0.0,,,,,,,0.0,CID3237617,Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)CCC2
+,,,,,,,,,,,0.0,,,,,,CID2116681,COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2cc(C)on2)c1
+,,0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,CID3154522,COc1ccc(C)cc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
+,,0.0,,,,,0.0,,,,,,,,,,CID745083,CCC(=O)Nc1nc2ccccc2n1CCN(CC)CC
+,,,,,,,,,0.0,,,,,,,,CID9551328,Cc1oc(-c2cccs2)nc1CSCC(=O)NC1CC1
+0.0,,,,,0.0,0.0,,,0.0,,,,,,,,CID3237330,CC(C)CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12
+,,,,,,,,,,,0.0,,,0.0,,,CID2942090,O=C(Cn1nc(-c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID12005309,Cc1cccc(N2CCN(c3ccc(N4C(=O)CCCC4=O)cc3[N+](=O)[O-])CC2C)c1
+,,,,,0.0,,,,,,,,,,,,CID5438900,Cc1cc(C)c2c(=O)nc(SCC(=O)Nc3ccc(N(C)C)cc3)[nH]c2n1
+,,,,,,,,,,0.0,0.0,,,,,,CID1455148,Cc1cc(C)cc(NC(=O)CSCc2nc3n(Cc4ccc(F)cc4)[nH]nc-3c(=O)n2)c1
+0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,,CID650694,O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2514277,Cc1cc(C)n2nc(C(=O)NNC(=O)c3ccccc3)nc2n1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID653600,CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CC3)cc21
+,,,,,,,,,,,,,,0.0,,,CID2105970,O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)NCc1ccco1
+,,,,,,,,0.0,,0.0,,,,,,,CID2998625,NC(=O)c1ccsc1NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID3157945,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(C)sc1C
+,0.0,,,,,0.0,,0.0,,,0.0,,0.0,,,,CID2791387,COc1cccc(Nc2nc(=O)[nH]nc2C)c1
+,,,,,,,,,,,,,0.0,,,,CID1119052,CC(=O)c1ccc(NC(=O)c2ccc(S(=O)(=O)c3ccccc3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4553929,C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccccc3)c2c1=O
+,,,,,,,,,0.0,,0.0,,,,,,CID1477032,Cc1ccc(-c2nc3ccc(Cl)cc3n2OC(=O)N(C)C)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID3244116,O=C1CC(c2ccc(F)c(Br)c2)C2=C(CCCC2=O)N1
+,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,,,CID722169,O=S1(=O)CCN2C(=N1)Sc1c2ccc2c1CCCC2
+,,,0.0,,,,,,,,,,,,,,CID663706,COn1c(SCC(=O)N(C)C)nc2ccccc2c1=O
+,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,CID892462,COc1ccc(-c2nc(C#N)c(NCCN(C)C)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2959090,CCOC(=O)c1c(C2COc3ccccc3O2)csc1NC(=O)c1ccccc1
+0.0,,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,CID768126,CCC(NC1CC(C)(C)NC(C)(C)C1)=C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,,0.0,,,,,0.0,,,CID1385037,Cc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2199612,Cc1cc(C)c2c(c1)/C(=C/C(=O)c1ccc(Br)s1)C(=O)N2
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID3243586,CCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID3245897,Cc1ccc(-c2nc(NC(=O)CSc3nnnn3-c3ccccc3)ns2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1142952,COc1cccc(N(CC(=O)N2CCN(c3ccccc3OC)CC2)S(C)(=O)=O)c1
+,,,,,,,,,,,,,,0.0,,,CID2199716,c1cnc(SCCOc2ccc3c(c2)CCC3)nc1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,CID2999005,CC1CCc2c(sc3ncnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)c23)C1
+,,,,,,,,,0.0,,,,,,,,CID699693,O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1
+,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID1644451,Cc1ccc(OCCCC(=O)N2CCOCC2)c(C)c1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,0.0,CID2999835,CC(O)c1nc2ccccc2n1Cc1nnc(-c2ccc(Cl)cc2)o1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3244373,O=C(NCc1ccccc1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F
+,,,,,,,0.0,,,,0.0,,,,,,CID3241652,Cc1ccc2c(c1)N(CCC(=O)NCC1COc3ccccc3O1)C(=O)CO2
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID646404,CCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(OC)cc2)CC1
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,,CID662069,COC(=O)c1cc(Br)c(=O)n(-c2nccs2)c1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID177728,COC(=O)C1Cc2c([nH]c3ccccc23)CN1
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2481272,CCn1c(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nnc1-c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID977124,Cc1cccc(NC(=S)Nc2ccc(Br)cc2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID578096,COc1ccc(Cc2nnnn2CC(=O)O)cc1
+0.0,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,,CID2848899,CC1(C)CC(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2873371,Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCCCn2ccnc2)cc1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID877715,C=C(Br)Cn1c(CCC)nc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID675183,COc1ccccc1NC(=O)c1cc2ccccc2o1
+,,,0.0,,,0.0,0.0,0.0,,,,,,,,0.0,CID2997721,CCOC(=O)c1ccc2c(c1)nc(SCC(=O)c1ccco1)n2CC
+,,,,,,,,,,,,,,0.0,,,CID1438251,Cc1ccccc1NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID1910961,COCCN(C(=O)Nc1ccccc1)c1ccccc1
+,,,,,0.0,0.0,,,,,,,,,,,CID604514,N#CC1=C(N)SC2(CCCCC2)SC1c1ccccc1
+,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,,,CID2224482,Cc1csc(SCC(=O)Nc2nc3ccccc3s2)n1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3244476,CC(=O)c1cccc(NC(=O)Nc2cccs2)c1
+,,,,,,,,0.0,,,,,,,,,CID1803566,O=C1c2ccc(Oc3ccc4c(c3)C(=O)N(CCCO)C4=O)cc2C(=O)N1CCCO
+,,,,,,,,0.0,,,,,,,,,CID900081,C1=Nc2c(ncnc2N2CCOCC2)Oc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2872941,O=C(NCCCn1ccnc1)/C(=C/c1ccccc1)NC(=O)c1ccccc1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID2937329,COc1cccc(N2C(=O)N(c3ccccc3Cl)C3CS(=O)(=O)CC32)c1
+,,,,,,,,,,,,,0.0,,,,CID3808800,Cc1cc(C(F)(F)F)nn2cnnc12
+,,,,,,,,,,,,0.0,,,,,CID5307278,O=C(Cn1cc2c(n1)CCCC2)Nc1cc(F)ccc1F
+,,,,,0.0,,,,,,,,,,,,CID3589163,Cc1cc(=O)oc(C)c1C(=O)NCc1cccnc1
+,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,0.0,0.0,CID2545885,CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(C)=O)c2)nc1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID2947258,COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)COC(C(C)C)C4)cc1
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+,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,CID648312,Cc1cc(C)nc(N2CCCC(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)C2)n1
+,,,,,,,,,,,,,0.0,,,,CID970968,Cc1cc(=O)nc(SCC(=O)Nc2ccnc3ccccc23)[nH]1
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+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID663286,c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)nc1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID658816,CCCCn1c(NC(=O)CC)c(C#N)c2nc3ccccc3nc21
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+,0.0,,,,,0.0,,,,,,,,,,,CID1369584,O=C(NCc1ccco1)c1cccc(S(=O)(=O)N2CCOCC2)c1
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+,,,,,0.0,,,,,,,,,,,,CID709717,COc1ccc(-c2nc3ccccc3n2CCC(C)C)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID2333053,CCCCCN(C(=O)NC(=O)NC1C2CC3CC(C2)CC1C3)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID2914864,Cc1ccc(OCC(O)CNC(=O)c2ccccc2C(=O)O)cc1
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+,,,,,,,,0.0,,,,,,,,,CID665255,CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID834808,Cc1cc(C)n2nc(SCC(=O)N/N=C/c3ccccn3)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID4083155,O=C(CCSCc1cccc(Cl)c1)NCCc1ccc(Cl)cc1
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID982228,CCOC(=O)C1CCN(C(=O)CN(Cc2ccccc2)S(C)(=O)=O)CC1
+,,,,,,,,,,,,,,,,0.0,CID2954055,CN(C)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2C1c1cccc(Br)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID645255,COC(=O)CSc1nc(C2CC2)nc2ccccc12
+,,,,,,,,,0.0,0.0,,,,,,,CID651829,Cc1sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2c1C
+0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID3240043,Cc1cc(=O)n2nc(N3CCC(C(=O)N4CCN(Cc5ccccc5)CC4)CC3)sc2n1
+,,,,,,,,,,,,,,0.0,,,CID55683,O=C(O)CSc1ccc(Oc2ccc(SCC(=O)O)cc2)cc1
+0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,0.0,,CID646903,c1ccc2oc(CCc3nc4ccccc4o3)nc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1153152,COc1ccc(-c2nsc3c(SCc4ccccc4)ncnc23)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2382051,O=C(CSCc1ccc(Cl)cc1)c1ccco1
+,,,,,,,,0.0,,0.0,,,,,,,CID3230440,O=C(NCc1ccccc1)NC1(C(=O)N2CCN3CCCC3C2)CCCCC1
+,,,,,,,,,,,,0.0,,,,,CID807848,CC(C)c1nc(N2CCOCC2)c(C#N)c2c1CCCC2
+,,,,,,,,,,,,0.0,,,,,CID5771333,COc1cc(C(=O)NC2=CC(=O)/C(=C3/Nc4cc(C)ccc4O3)C=C2)cc(OC)c1OC
+,,,,,,,0.0,,,,,,0.0,,,0.0,CID379927,COCCOCCOCCC(=O)NC1CC2CCC1(C)C2(C)C
+,0.0,,,,,,0.0,,,,,,,,,,CID667200,Cc1nc2nc(=O)c3c(n2[nH]1)NC1=C(C(=O)CC(C)(C)C1)C3c1ccccc1
+0.0,,,,,0.0,,,,,,,,,,0.0,0.0,CID2999514,O=C(c1ccccc1)N(CCN1CCOCC1)C1(C(=O)Nc2ccccc2)CCCCC1
+,,0.0,,,,0.0,0.0,,,,,,,0.0,,,CID665960,Cc1nnc(C)c2c(C)n(Cc3ccc4c(c3)OCO4)c(C)c12
+,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID5309375,O=C1c2ccccc2C(O)N1Cc1ccco1
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID5310237,COC(=O)Cn1/c(=N/C(=O)C2CC2)sc2c(C)cc(C)cc21
+,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,CID644570,Cc1ccc(NC(=O)N2C(=O)C3(OCCO3)c3ccccc32)cc1
+,0.0,,,,,,,0.0,,,,,0.0,,0.0,,CID659479,C=CCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc21
+,0.0,,,,,,,0.0,0.0,,,,,,0.0,,CID750826,COC(=O)c1ccccc1NC(=O)CSc1n[nH]c(CC(C)C)n1
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+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID667371,CN(c1nc2ccccc2n2c(-c3ccco3)nnc12)S(=O)(=O)c1ccccc1
+,,,0.0,0.0,,0.0,,,,,0.0,,,,,,CID886017,COCC(=O)Nc1ccc(C(N)=O)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID2062265,CCN(CC)CCCNc1nc(=O)c(C)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5086039,CCC(Sc1ncccc1C(=O)OC(C)C)C(=O)NCc1ccco1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID2864438,CCOC(=O)c1c(C)nn(Cc2cccc(Cl)c2)c1N
+,0.0,,,,,,,,,,,,,,,,CID661993,CC(=O)c1c(N)nc2n(c1=O)CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID2101612,Cc1nc2ccc(NC(=O)Cc3ccc4c(c3)OCCO4)cc2s1
+,,,,,,,,,,,,,,0.0,,,CID9550515,COc1ccccc1CNC(=O)C(CC(C)C)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID1156694,Cc1ccc(S(=O)(=O)N(Cc2n[nH]c(=S)n2-c2ccccc2)c2cccc(Cl)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID978928,COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID2970699,O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCO1
+,0.0,0.0,,,,,,,,0.0,,,,,0.0,,CID652126,Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2C)no1
+,,,,,0.0,,,,,,,0.0,,,,,CID2853180,C=CCC1(O)C(=O)N2C(=C1C(=O)N1CCOCC1)c1ccccc1CC2(C)C
+,,,,,,,,0.0,,,,,,,,,CID605078,COC(F)(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)C(F)(F)F
+,,,,,,,,,,1.0,,,,,,,CID1280563,O=C(Oc1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,,,,CID3354384,CNC(=O)CSc1cnc2ccccc2n1
+0.0,,,,,,,,,,,,,,,0.0,,CID651781,O=C(c1ccccc1-c1nc2ccccc2[nH]1)N1CCCCC1
+,,,,0.0,0.0,,,,,,,0.0,,,,0.0,CID3243939,CCOC(=O)c1sc2ccc(S(=O)(=O)N3CCCCC3)cc2c1N
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2507705,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nncs1
+,,,,,,,,,,,0.0,,,,,,CID1488497,O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID832746,CCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1288456,Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1[N+](=O)[O-]
+0.0,,0.0,,,,,,,,,,0.0,,,,1.0,CID646787,CCN1CCN(c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3797862,CCOC(=O)C1=NN(C(=O)Nc2ccc(OC)cc2)C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C12
+,,,0.0,,0.0,,,,,,,,,,,,CID3240445,CCOC(=O)N1CCC(NC(=O)CCC(=O)N2CC(C)Oc3ccccc32)CC1
+,,,,0.0,,,,,,,,0.0,0.0,0.0,,,CID659191,O=C(c1cccs1)c1ccc(-c2cccs2)s1
+,,,,,,,,,,,,,,0.0,,,CID6263663,O=C(/C(=C(\[O-])c1ccccc1)[n+]1ccc2ccccc2c1)c1ccc(Cl)cc1
+,,0.0,,,,,,,,,,,,,,,CID2999610,O=C1CCC/C1=c1\s/c(=C\c2cccnc2)c(=O)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2974795,O=C(c1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1222419,Cc1nn(C(=O)c2c([N+](=O)[O-])cnn2C)c(C)c1Cl
+,,,,,,,,0.0,,,,,,,,,CID2927234,O=C(C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)N1CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2359366,COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C/c2ccc(C)o2)c1
+0.0,0.0,,,,,,0.0,,0.0,,,,,,,,CID752229,CC(=O)Nc1nonc1-c1nc2ccccc2n1CC1CC1
+,,,,,,,,,0.0,,,,,,,,CID984918,COc1cccc(S(=O)(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
+,0.0,,,,,,,,,,,,,,,0.0,CID5738776,CC1=C(C(=O)Nc2ccccc2C)C(c2cccnc2)N2NC(CCCO)=NC2=N1
+,,,,,0.0,,,,,,,,,,,,CID742371,COc1ccc2nc(SCC(=O)Nc3ccccc3F)[nH]c2c1
+,,,,,,,,,,,0.0,,,,,,CID3248311,O=C(Nc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,,,,0.0,CID2829699,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccco1
+,,,0.0,,0.0,,,,,,,,,,,,CID3245438,CCOC(=O)c1cc(C)n(S(=O)(=O)c2ccc(C)cc2)c1C
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID832683,O=C(O)CCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2190560,O=C1CCCC/C1=C/Nc1ccc(C(=O)O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2766181,CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C2CCCN32)CC1
+,,,,,,,,,,,0.0,0.0,,,,,CID664141,CCCCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID1903201,CN1C(=O)c2cccc(NCCCCCCN3C(=O)c4ccccc4C3=O)c2C1=O
+0.0,,0.0,,,,,,,,,,0.0,0.0,,0.0,,CID659520,CCCn1c(=N)n(CCOc2ccc(OC)cc2)c2ccccc21
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID656315,CC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
+0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,,,CID2853692,O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1CCc1ccccc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2951754,Cc1ccc2c(c1)c1c(n2CC(O)Cn2nc(C)c(Br)c2C)CCCC1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID649962,O=C(CCSc1nc2cc(Cl)ccc2o1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID780086,Cc1ccc(CN2CCN(C(=O)c3ccco3)CC2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID3242075,Cc1c(NC(=O)c2cc(-c3ccco3)on2)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3241901,CCOC(=O)CSC1=C(C#N)C(c2ccc(F)cc2)C(C(C)=O)=C(C)N1
+,,,,,,,,,0.0,0.0,,,,,,,CID1176164,Cc1cc(C)c2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)cc2c1
+,,,,,,,,,0.0,,,,,,,,CID1568281,CCCCC(=O)Nc1c(C)cc(C)cc1Cl
+0.0,,0.0,,,0.0,,,,,,0.0,,,,,0.0,CID653102,CC(=O)N1CCN(c2ccc(NCc3ccc(C(C)C)cc3)cc2)CC1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID4425060,CCC(=O)Nc1nnc(-c2ccc(OC)cc2)o1
+,,,,,,,,0.0,,,,,,,,,CID2434657,CCN(CC)S(=O)(=O)c1ccc(NC(=O)COC(=O)c2ccc(Br)o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID2999814,CN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)C1CCS(=O)(=O)C1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID204149,c1ccc(-c2cn3cccnc3n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID755636,CCOC(=O)C1=C(Cc2ccc(F)cc2)C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID4079217,COC(=O)c1ccc(N2CCC(C)CC2)c(N)c1
+,,,0.0,,,,,,0.0,,,,,,,,CID798823,COC(=O)c1oc2ccc(Cl)cc2c1NC(C)=O
+,,,0.0,,,,0.0,,,,,,,,,,CID3243129,COCCCNC(=O)C1CC(=O)N(Cc2ccc(OC)cc2)C1
+,,,,,,,,0.0,,,,0.0,,,,,CID3241266,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NC3CCCC3)cc2CC1C
+,,,,,,,,,0.0,,,,0.0,,,,CID1622404,COc1ccc(Cl)cc1NC(=O)/C=C\C(=O)O
+,,,0.0,,,0.0,,,,,,,,,,,CID1070243,CCN(CC)C(=O)c1cncc(C(=O)N(CC)CC)c1-c1ccccc1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID2279080,Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OC3CSC3)cc2)cc1
+,0.0,,,,,,,,0.0,,0.0,,0.0,,,,CID3239072,CCn1c(=O)cc(OCC(=O)NCCCN2CC(C)CC(C)C2)c2ccccc21
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1302820,Cc1ccc(NC(=O)COc2ccc(Br)cc2CO)cc1
+,,0.0,,,,,,,,,0.0,,,,,,CID3235780,CC(=O)c1cc(-c2ccc(F)cc2)n(CCC(=O)Nc2cc(C)[nH]n2)c1C
+,,,,,0.0,,,,,,,,,,,,CID669611,COc1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)cc1
+0.0,,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,,CID1154993,CC(C)(C)NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,0.0,CID654635,COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCc2ccccc2)ccc1O
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID654254,O=C(NCc1cccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
+,,,0.0,,,,0.0,0.0,0.0,,,,,,,,CID651706,O=C(NCCNC(=O)c1ccco1)c1cccc(F)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID715137,Cn1c(NCc2ccccc2O)nc2ccccc21
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID653408,CCc1nnc(NC(=O)Cn2nnc(-c3ccccc3F)n2)s1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID4232857,Cc1cc(NC(=O)CSc2cn(C)c3ccccc23)no1
+,,,,,,,,,,,,,0.0,,,,CID1818115,O=C(O)CSC1=N/C(=N\c2cccc(Cl)c2)C2(CCCCC2)N1c1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID5309836,CC(C)c1ccc(C2CC(=O)N3CN(C)CSC3=C2C#N)cc1
+,0.0,,,,,,,0.0,,0.0,,,,,,,CID666446,CCOc1cc(-c2noc(CCC(=O)N3CCOCC3)n2)ccc1OC
+,,,,,,,,,,,,,,0.0,,,CID3324503,CCCCCCCCCCS(=O)(=O)N/N=C/c1ccccc1OC
+,0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0,CID652809,C/C(CCc1oc2ccccc2c1-c1ccc(C)o1)=N\O
+,0.0,0.0,,,,,,,,,,,,,,,CID5390057,CCN1C(=O)/C(=C/Nn2cnnc2)SC1=S
+,,,,,,,,,,,0.0,,,,0.0,,CID3244935,Cc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID43234,CCCC1COC(Cn2cncn2)(c2ccc(Cl)cc2Cl)O1
+,,,,,,,,,,,,,,0.0,,,CID3760251,CCOC(=O)COc1ccc2c(C)cc(=O)oc2c1C(=O)c1ccccc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3171595,CCOc1ccc(Nc2oc3cc(=O)ccc-3cc2C(=O)NCC2CCCO2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2477308,O=C(Nc1cccnc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
+0.0,,,0.0,,,,,,0.0,,,,,,,,CID976290,CC1(C)CC(NC(=O)CCC2CCCC2)CC(C)(C)N1
+,,,,,,,,,0.0,,,,,,,,CID687684,O=C(Cc1n[nH]c(=O)[nH]c1=O)N/N=C/c1cccc(O)c1
+,,,,,,,,,,,,,,0.0,,,CID2511223,CC(C)C(NC(=O)c1ccccc1)C(=O)OCC(=O)/C=C1/N(C)c2ccccc2C1(C)C
+,0.0,,0.0,,,,,,,,,,,,,,CID653585,COc1ccc(Cn2nnnc2CN2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16194906,CCN1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccc(C)cc2)C(=O)C1=O
+,,,,,,,0.0,,,,,0.0,,,,,CID3245170,CCC(C)OC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(N(C)C)cc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID1311001,CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C(=O)OC)CCC2
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+,,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID3243807,COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1OC
+,,,,,,,0.0,,0.0,,,,,,,,CID745587,Oc1ccccc1CN1CCCN(Cc2ccccc2O)C1
+,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID5739681,C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc(C(=O)O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2902740,O=C1C2C(c3ccccc3)C=CC(c3ccccc3)C2C(=O)N1C1CCCCC1
+,,,,,,,,,,,,0.0,,,,,CID2983583,O=C1CC(c2ccncc2)c2cc3c(cc2N1)OCCO3
+,,,,,,,,,,,,,0.0,,,,CID2905629,CCOC(=O)C1CCCN(C(=O)Cc2ccc(Cl)cc2)C1
+,,0.0,,,,,,0.0,0.0,,,,,,,,CID667062,N=c1c2c3c(sc2ncn1CCCN1CCOCC1)CCCCC3
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID3242529,CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2cccc(C)c2)c1N
+,,,,0.0,,,0.0,,,,,,,,,,CID629147,CCCCOc1ccc(N2CC(C(=O)NC(C)C)CC2=O)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID652656,CCn1c(SCC(=O)c2ccccc2)nnc1-c1ccoc1C
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,,CID2056701,CCCNC(=O)N1CCN(c2ncccn2)CC1
+0.0,,,0.0,0.0,,,,,,,,0.0,0.0,,,,CID2999533,C=CCn1c(=O)/c(=C\c2ccc(F)cc2)s/c1=C(/C#N)c1nnc2n1CCCCC2
+0.0,0.0,,,,,,0.0,,,,,,,,,0.0,CID2950608,CCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID5771361,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)CC(=O)NC1CCCCC1
+,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,CID3242354,Cc1ccc(S(=O)(=O)n2nc(OC(=O)C(C)(C)C)cc2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID1333705,CCc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID3237728,CCOC(=O)N1CCC(NC(=O)c2ccc(CNS(=O)(=O)c3ccc(F)cc3)cc2)CC1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID3236045,COc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2334948,O=C(CSc1cccc2cccc(Cl)c12)OCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,0.0,CID974719,CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccccc1
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID654225,COc1ccc(-c2noc(CSc3ccccc3)n2)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID1904929,O=C(O)CCCCCNC(=O)c1ccccc1Br
+,,,,,,,,,,,,,,0.0,,,CID1474583,COc1ccc(CN2CCn3ncc(C(=O)Nc4cc(C)cc(C)c4)c3C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID874548,CC(C)c1ccc(/C=C2\SC(Nc3ccc(F)cc3)=NC2=O)cc1
+,,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,CID3239145,COc1ccc(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c(OC)c1OC
+,0.0,,0.0,,,0.0,,,,,,0.0,0.0,0.0,,0.0,CID2193499,Cc1nc2ccccc2c(=O)n1NC(=O)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2547245,c1ccc(-n2nnnc2NCCc2c[nH]c3ccccc23)cc1
+,,0.0,,,,,,,0.0,,,,,,,,CID5389027,Cn1ncc(N/C=C2\C=CC=CC2=O)c1C(=O)Nc1ccccc1
+,,,0.0,,,,,,,,0.0,,,,,,CID2867498,COc1ccc(NC2CC(=O)N(c3ccccc3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1792463,CC(=O)c1cccc(NC(=S)NC(=O)C(C)C)c1
+0.0,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,CID659671,CCCCCC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
+,,,,,,,,0.0,,,,,,0.0,,,CID707923,COc1ccc(-c2nc3nc(C)cc(=O)n3[nH]2)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID756685,COC(=O)C1CCN(C(=O)Cc2ccc(C)cc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID3245591,Cc1noc(C)c1S(=O)(=O)N(CC(=O)O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2284083,Cc1ccc(SCCNC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID1073056,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(F)cc2)cc1
+0.0,,0.0,,,,,,0.0,,,0.0,,,,,0.0,CID1091094,CC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,,0.0,,,CID4059870,COc1ccc(/C=N/NC(=O)CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(OC)c1
+,,,,,0.0,0.0,,,0.0,,,,,,,,CID2336428,O=C(CSCc1ccco1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID1103953,Cc1c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cccc1[N+](=O)[O-]
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID650153,Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O
+,,,,,,,,,,,0.0,0.0,,,,,CID646450,Cn1c(C(O)c2ccccc2F)nc(Cl)c1Cl
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID1242943,Cc1nc2nc(-c3cccnc3)[nH]n2c(=O)c1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3469719,CC12CCC(C(=O)Nc3ccccc3Cl)(C(Br)C1=O)C2(C)C
+0.0,,,,,,,,,,,,,,,,,CID1378298,Cc1cccc(N2CCN(Cc3c(C)n(C)n(-c4ccccc4)c3=O)CC2)c1C
+,0.0,0.0,,,,,,,,,,,0.0,0.0,,,CID651820,COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID662827,Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2CCN2CCOCC2)n(C)c1=O
+,0.0,,,,0.0,,,0.0,,,0.0,,,,,,CID665585,CCOC(=O)C1CCN(C(C)C(=O)c2c(C)[nH]c3cc(C)ccc23)CC1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID2999064,O=C(OCc1cccs1)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID1471096,COc1ccc(Oc2nc3ccccc3n(C)c2=O)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID234937,O=C(O)CC1Sc2ccccc2NC1=O
+,,,,,,,,0.0,,,,,,,,,CID4840625,CCOc1ccc(NC(=O)CN(C)c2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OCC
+,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID5308813,Cc1cc(NCc2ccc3c(c2)OCO3)n2nc(C)nc2n1
+,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,,CID651026,O=C(Nc1ccccc1-c1nnn(CC(=O)N2CCCc3ccccc32)n1)c1ccco1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID651201,CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3C(C)(C)CC)cc2c1
+,,,,,,,,,,,,,0.0,,,0.0,CID2947397,CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID792508,Cc1ccsc1CN1CCN(c2ccccn2)CC1
+,,0.0,,,0.0,,,,,,,0.0,,,,0.0,CID3236526,O=C(NCc1ccco1)c1ccc2c(=O)n(CCC3=CCCCC3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID1128438,COc1ccc(/C=N/NC(=O)c2cc(-c3cccn3C)n[nH]2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID3127882,COC(=O)C(O)(CC(=O)Nc1ccc(OC)cc1)C(F)(F)F
+,,,,,,,,,,0.0,,,,,,,CID651237,NC(=O)C1CCN(c2nc(C3CC3)nc3c2nnn3Cc2ccccc2)CC1
+,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID3244521,CCOc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1
+,,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,CID649923,N#Cc1ccc2ccn(CC(=O)NC3CCCCCC3)c2c1
+,,,,,,,,,,,,,,0.0,,,CID1008111,COc1ccc(/C=N/NC(=O)c2ccco2)cc1Cn1nc(C)cc1C
+,,,,,0.0,,,,,,,,,,,,CID2208576,COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1311520,CC1(C)CC(=O)c2cc(C(=O)N3CCN(CCO)CC3)c(=O)n(-c3ccc(Cl)cc3)c2C1
+,,,,,,,,,,,0.0,,,,,,CID3700021,O=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]nc2-c2ccccc2)CC1
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID2379261,Cc1noc(C)c1COC(=O)COc1cccc2c1OC(C)(C)C2
+0.0,,,,,0.0,0.0,,,,0.0,,,,,,,CID662959,N#CC(C(=O)OCc1ccccc1)c1nc2ccccc2nc1N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID1565663,Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)cc3)S2)cc1C
+,,,,,,,,,,0.0,,,0.0,,,,CID1440811,COC(=O)c1ccc(NC(=O)CSc2nnnn2C2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4841600,CC12CCC(=O)N1C(C(=O)OCC(=O)Nc1cc(S(=O)(=O)N3CCCCC3)ccc1Cl)CS2
+,,,,,,,,,,0.0,,,,,,,CID2845194,CC1CCC(N2CCN(c3ncccn3)CC2)C1
+,,,,,,,,,,0.0,,,,,,,CID6222410,C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+,,,,,,,,,,,,0.0,,,,,CID691879,Cc1ccc(C(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID5389777,CCN1C(=O)/C(=C\NCCN2CCOCC2)SC1=S
+,,,,,,,,,,,0.0,,,0.0,,,CID646651,O=C(CN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID3236223,COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCCO3)S(=O)(=O)c2c(C)noc2C)cc1
+,,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID1092928,COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1557443,COc1ccccc1/C=C/C=N/N1CCN(Cc2cccc3ccccc23)CC1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3241306,CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
+,,,0.0,,,,,,,,,,,,,0.0,CID3244499,CCOC(=O)C1CCCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)C1
+,,,,,,,,,,,,,0.0,,,,CID2679232,COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC1
+,,,,0.0,,0.0,,,,,,,,,,,CID3243055,CC1CC(C)CN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)C1
+,,,0.0,,,,,,,,,,,,,,CID2383529,Cc1sc2ncn3c(C)nnc3c2c1C
+,,,,,,,0.0,,,,,,,,,,CID3114156,CC(C)(C)C1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1
+,,,,,,,,0.0,,,0.0,0.0,,0.0,,,CID665402,CCN1C(=O)N(C)C(N(O)C(=O)NC)C1(C)C
+,,,,,0.0,,,,,,0.0,,,,,,CID3202427,CCC(C)N(C(=O)Cn1nnc2ccccc21)C(C(=O)Nc1ccc(F)cc1)c1cccc(OC)c1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID950262,CSc1nc(-c2ccc(C)cc2)[nH]c1S(=O)(=O)c1ccccc1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID619350,CSc1nc2sc3c(c2c2nnnn12)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID617576,Clc1ccccc1CSc1nc2ncccc2[nH]1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID650716,CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2ccccn2)s1
+,,,,,,,,,,0.0,,,0.0,,,,CID2851831,O=[N+]([O-])c1ccccc1CNC(Cc1ccccc1)c1ccccc1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID663524,CCC(C)C(NC(=O)NCc1ccccc1Cl)C(=O)OC
+,,0.0,,,,,,,,,,,,,,,CID5390094,COc1ccc(NC(=O)C2=C/C(=C3/C=C(C)C=C(C)C3=O)NN2)cc1Cl
+,,,,,,,,,0.0,0.0,,,0.0,,0.0,,CID648791,COc1ccc(C)cc1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID2112925,COc1cc(CN(C)CC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1OC(F)F
+,,,,,0.0,,,,,,,,,,,,CID838935,Cc1ccc(Sc2cnn(-c3ccccc3)c(=O)c2Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1541680,Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCC3)c(C)c1
+,0.0,,,,,,,,,,,,,,,,CID3243136,C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1
+0.0,0.0,,,,,,,,,0.0,,,,,,0.0,CID2129280,O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,0.0,0.0,,,0.0,0.0,,,CID659485,CCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID1263400,COc1ccc(-n2nnnc2S(=O)(=O)CC(=O)N2CCCCC2)cc1
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID657668,c1ccc(Cc2nnc3n2CCCCC3)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3241857,COc1cccc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1OC
+,,,,,,0.0,,,0.0,,0.0,,,,0.0,,CID645819,COc1ccc(Cn2nnnc2C(c2cc3ccc(OC)cc3[nH]c2=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,0.0,,,0.0,,CID4106465,O=c1cccc2n1CC1CC2CN(C(c2ccccc2)c2sc3ncnn3c2O)C1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3238868,O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID5309694,CCOC(=O)N1CCC(NC(=O)c2ccc3snnc3c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2397614,O=C(COC(=O)c1ccccc1)Nc1ccccc1Br
+,,,,,,,,,,,,,,,1.0,,CID5739634,Cc1cc(Br)c2c(c1)/C(=C1/SC(N3CCCCCC3)=NC1=O)C(=O)N2
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID3241825,COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nsnc45)C3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID1144925,COc1ccc(N(CC(=O)NCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID645414,Cc1cccc(C)c1NC(=O)CS(=O)CC(=O)NC1CCN(Cc2ccccc2)CC1
+,0.0,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,CID2219054,CCCCn1nnc(NC(=O)c2ccco2)n1
+0.0,,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID654917,COc1cc2cc(CN(CCO)S(=O)(=O)c3ccccc3Cl)c(=O)[nH]c2cc1OC
+0.0,,,,,,0.0,,,0.0,,,,,0.0,,,CID655305,COc1cccc(OC)c1C(=O)N1CCN(c2c(Cc3ccccc3)c(C)nc3ncnn23)CC1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID647630,O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccnc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2165103,Cc1n[nH]c(SCC(=O)N2CCCc3ccccc32)nc1=O
+,,,,,,,0.0,,,,,,,,,,CID3244260,CCOC(=O)N1CCC(NC(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)CC1
+,,,,,0.0,,,,,,,,,,,,CID1485309,O=C(NNS(=O)(=O)c1ccccc1)c1cc2cc3ccccc3nc2s1
+,,,0.0,,,0.0,,,,,,,,,,,CID842936,CCC(=O)Nc1c(C)ccc2nsnc12
+,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,0.0,,CID3242888,CCCS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)OCCO3)CC1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID651372,CCCn1c(SCC(=O)c2ccc3c(c2)OCCO3)nnc1C(C)C
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID2894685,COC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccsc1
+,,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID219778,Cn1ncc2c(NCc3ccccc3)ncnc21
+,,,,,,,,,,,,,,0.0,,,CID2776488,O=Cc1ccc(-n2cncn2)cc1
+,0.0,,,0.0,,,,,,0.0,0.0,,,,,,CID2998920,Cc1cc(C(=O)CSC(C)c2nc(=O)c3ccccc3[nH]2)c(C)n1C
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID3239574,COc1ccc(C)cc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1
+,0.0,0.0,,,,,,,0.0,0.0,,,,,,,CID654432,CCC(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2937166,COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCC3)cc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID1211370,Nc1ccccc1C#Cc1ccccc1
+,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0,CID645802,Cc1cc(C)n(CC(O)COc2ccccc2C(=O)Nc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3833553,CCOc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2N)cc1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID2114663,Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1
+,,,,,0.0,,,,,,,,,,,,CID1133676,O=C(CSc1ncccc1C(=O)O)Nc1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3167545,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)n1
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+0.0,0.0,,,,,,0.0,,,,,,,,,,CID5308901,CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3n2)CC1
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+,0.0,,,,,,,,,,,,,,,,CID3243365,Nc1nnc(N2CCCCCC2)s1
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+,0.0,0.0,0.0,,,,,,,,,,,,,,CID654021,COc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccc1-n1cnnn1
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+,,,,,,,,,,,,,0.0,,,,CID3454867,Cc1cc(C(=O)COC(=O)c2ccc(Br)o2)c(C)n1Cc1ccco1
+,,,,,,,,,0.0,,,,,,,,CID723654,CN1CCN(c2ccc(C(=O)c3ccc(F)cc3)cc2)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID939654,CCc1ccccc1NC(=O)NC(C(=O)O)C(C)C
+,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,CID667367,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(Cc3ccccc3)C(=O)O)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID738366,O=C(Cn1cnc2ccccc2c1=O)c1ccc(Cl)cc1
+,,,,0.0,0.0,0.0,,,0.0,,,0.0,,,,,CID677530,O=c1sc2ccccc2n1COc1ccccc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2122833,Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cccs1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,,CID982497,O=C(CSc1nnc2sc3ccccc3n12)NCc1ccc2c(c1)OCO2
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+,,,,0.0,,,,,,0.0,,,,,,,CID3237893,CC(C)OCCCNC(=O)CNC(=O)c1cccs1
+,,,,0.0,,,,,0.0,,,,,,,,CID892835,CSc1cccc(NC(=O)CSc2ccccc2)c1
+0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID648181,Cc1ccc(C)c(N2CCN(C(=O)c3ccccc3Br)CC2)c1
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+,,,,,,,,,,,,,,0.0,,,CID1482280,COC(=O)c1cn(Cc2ccccn2)c(=O)c2ccccc12
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+,0.0,0.0,,,0.0,0.0,,,,,,,0.0,0.0,0.0,0.0,CID798070,CCOc1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID15945353,CCOC1=C/C(=C/C(C(=O)N2CCOCC2)=C2Nc3ccccc3N2)C=C(Cl)C1=O
+,,,,0.0,,,,,,0.0,,,,,,,CID3242514,COc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1
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+,0.0,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID664999,Cc1ccc2c(c1)[nH]c1c(=O)n(CCCN3CCOCC3)cnc12
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+,0.0,,0.0,,,,,,,,,,,,,,CID2979596,CCN1CCN(C(=O)C(C)N(c2ccc(C)cc2)S(C)(=O)=O)CC1
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+,,,,,,,0.0,,,,,,,,,,CID664559,CC1(C)CC(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)C(=O)O1
+,,,,,,,,,,,,0.0,,,,0.0,CID2938079,COc1cc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)[nH]c(=O)n3Cc2ccccc2)ccc1O
+,,,,,,,,,,,,,,0.0,,,CID1511735,Cc1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cnn1C
+,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,CID1389785,NC(=O)C1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,CID2955240,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(OC)c3ccccc23)C1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID3236857,Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1728372,O=C(CN1C(=O)C(=O)c2ccccc21)OCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID1830901,S=c1[nH]nc(Cc2cccs2)n1-c1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID970646,Cc1ccc(Sc2c(C)nn(C(=O)C3CC3)c2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID886368,COc1ccc(CNC(=S)Nc2ccccc2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID5307437,Cc1ccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID5309760,Cn1c(=O)cc(OCC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccccc21
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID3236791,O=C(Nc1ccc2c(c1)OCO2)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID933563,CC(=O)Nc1c(C)ccc2nsnc12
+,,,,,,,,,,,,,,0.0,,,CID843620,CCn1c(-c2cc(C3CC3)nc3ccccc23)n[nH]c1=S
+,,,,,,,,,,,0.0,,,,,,CID996186,Cc1cccc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1
+,,,,,,,,,0.0,,,,,,,,CID2299291,CCOC(=O)C(CCCOc1cccc(CC)c1)C(=O)OCC
+0.0,,,,,,,,,,,,,,,,,CID5293528,O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245133,CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccc(Cl)cc3)ccc2=O)CC1
+,,,0.0,,,,,,,,,,,,0.0,,CID5062709,Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4)CC3)c(O)n2n1
+,,,,0.0,,,,,,,,,,,,,CID662949,Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)C3CC3)c3nc4ccccc4nc23)cc1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID2998447,CS/C(=N\S(=O)(=O)c1cccs1)Nc1ccc(N2CCOCC2)cc1
+0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,,CID666543,CC1(C)NC(=O)N(c2ccccc2Cl)C1(C)NO
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID1247272,Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(-c2ccncc2)s1
+,,,0.0,,,,,,0.0,,,,,,,,CID3242898,O=C(C1CC2CCC1C2)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,,,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID2240997,O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCCCCC1
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID644472,CCC(Sc1nc2ccccc2[nH]1)C(=O)Nc1cc(C)on1
+0.0,,,,,,,,,,,0.0,,0.0,,,0.0,CID2416732,O=C(OCC(=O)N1CCCC1)c1cncc(Br)c1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID2927057,CCOC(=O)C1=C(C)N=c2s/c(=C\C(=O)OC)c(=O)n2C1c1ccc(OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID5347424,COc1ccc2c(c1[N+](=O)[O-])CCC/C2=N/OC(=O)c1ccccc1SC
+,,,,,0.0,,,,,,,,0.0,,,,CID2837233,C/C(=N\NC(=O)C1COc2ccccc2O1)c1cccs1
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID989400,Nc1[nH]c(SCC(=O)NCc2ccco2)nc(=O)c1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID840025,CCOC(=O)c1c(N)sc(N)c1C(=O)OCC
+0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0,,CID666913,CCCc1cc(=O)n2[nH]c(NCc3ccccc3Cl)nc2n1
+,,,,,,,,0.0,,,0.0,,,,,,CID880491,Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID5389656,CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1475485,COc1cc(NC(=O)CSCC(=O)Nc2cccc(C(F)(F)F)c2)c(Cl)cc1Cl
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID2669397,Cc1cc(C)n2nc(C(=O)Oc3ccc4c(c3)OCO4)nc2n1
+,0.0,,0.0,,,,0.0,,,,,,,0.0,0.0,,CID5195263,COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C(C)=O)cc2)cc1
+,0.0,0.0,,0.0,0.0,,,,,,,,,,,,CID652920,Cc1cccc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2860198,Cc1nn(CC(=O)NC(C)c2ccccc2)c(C)c1[N+](=O)[O-]
+,,,,,,,,,0.0,,,,,,,,CID858202,O=C(NCc1cccs1)Nc1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID614081,CCOC(=O)c1c(C)[nH]c(C(=O)OC)c1CCC(=O)OC
+,,0.0,,,,,0.0,,,,,,,,,,CID701825,Cc1ccc(-c2nnn(CC(=O)O)n2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID807814,O=C(c1cccc(F)c1)n1nnc2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID654035,Cc1nc2cc(N3CCN(C)CC3)c(NC(=O)Cc3ccccc3)cc2c(=O)n1Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID667407,CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCC=C(C)C)o1
+0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0,CID3240668,CCOC(=O)CCn1nc(-c2ccc(Cl)cc2)cc1N
+,,,,,,,0.0,,,,,0.0,,,,,CID2165590,CCOC(=O)Nc1sc(C(=O)N(CC)CC)c(C)c1C(=O)OCC
+,,,,,,,,,,,0.0,,,,,,CID1811009,Cc1cc(C)c(NC(=O)CSc2nc3ccc(NC(=O)CSc4nnnn4Cc4ccccc4)cc3s2)c(C)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID4460128,Cc1ccc(S(=O)(=O)C(c2ccccc2)c2c(C)noc2C)cc1
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID3236552,CCCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2Cl)CC1
+,,0.0,0.0,,,,,,,,,,,,,,CID976195,Clc1ccc(SCCn2cncn2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID990389,C=CCn1c(SCC(C)=O)nnc1-c1cc(-c2ccccc2)sc1N
+,,,,,,,,0.0,,,0.0,,0.0,,0.0,,CID3238819,O=c1cc(NCc2ccco2)[nH]c(=O)n1-c1ccc(Br)cc1
+,,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID5307737,COc1ccc(-c2c(C)oc3c(CN4CCCCC4C)c(O)ccc3c2=O)cc1OC
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID658667,c1ccc2c(c1)[nH]c1c(N3CCSCC3)ncnc12
+,,,,,,,,0.0,,0.0,,,0.0,,,0.0,CID934530,Cc1cc(=O)nc(SCc2cccc(Br)c2)[nH]1
+0.0,,,,0.0,,,,,,,0.0,,,,,0.0,CID2225054,Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2ccccc2)n1
+,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID645376,O=C(Cc1cccs1)NCc1ccncc1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,,CID3154521,CCc1cccc(C)c1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID1471663,COC(=O)c1cc(C#N)c(Oc2ccccc2OC)nc1C
+,,,,,,,,,0.0,,,,,,,,CID669865,COc1cc(SC)ccc1C(=O)Nc1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID1440357,Cc1ccccc1NC(=O)CSc1nc2cc3c(cc2cc1C)CCC3
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+,0.0,,,,,0.0,,,,,,,,,,0.0,CID3240228,O=C1NC(=O)C(CC(=O)N(c2ccccc2)C2(C(=O)NC3CCCC3)CCCCC2)N1
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+,,,,,,,,,,,,,0.0,,,,CID2397165,Cc1ccc(Cl)c(NC(=O)CN2CCN(C=O)CC2)c1
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+,0.0,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,CID710309,Cc1cc(C)c(C#N)c(SCC(=O)N2CCCCC2)n1
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+,,,,,,,,,,,,,,0.0,,,CID1721018,O=C1/C(=C\c2cccnc2)Sc2ccccc21
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+,,,,,,,,,0.0,,,,,,,,CID3193576,CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCCC(C)C1
+0.0,0.0,,,,,,,,,0.0,0.0,0.0,,,,,CID649146,COc1ccc(OC)c(C(C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)C(C)C)c1
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID647066,CN(C)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1
+,,,,,,,,,,,,,,0.0,,,CID863273,CCc1ccc(OCc2n[nH]c(=S)n2Cc2ccccc2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID2997559,O=C(NCc1cn2ccsc2n1)Nc1cccc(Cl)c1
+0.0,,,0.0,,,0.0,,,,,,,,,0.0,,CID3115334,CCCCNC(=O)OCCNC(=O)Oc1cccc(C)c1
+,,,,,,,,,,,,,0.0,,,,CID1371384,Cc1ccc(/C=C2/SC(=O)NC2=S)o1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID597406,O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)s1
+0.0,,,,,,,,,,,,,,,,,CID1116954,CCNc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1
+,,,,,,,,,,,,,,0.0,,,CID5222360,Cc1cc(NC(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)no1
+,,,,0.0,,,,,,,0.0,,,,,,CID3241563,CCOC(=O)c1ccccc1NC(=O)N1CCn2c(C)ccc2C1CC
+,,,,,,,,,,,,,0.0,,,,CID890149,Cc1cc(N2CCCC2)ccc1/C=C1/C(=O)N(C)C(=S)N1C
+0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,0.0,CID2991558,CCCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,0.0,,,,,,,,CID9550290,CCC(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID1476007,Nc1nc(Br)c2ccccc2c1-c1ccc(F)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID5308745,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID897509,O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1
+,,,,,,,,0.0,,,0.0,,,,,,CID1292315,O=C(NC(c1ccccc1)c1ccccc1)c1ccc(Br)o1
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+,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,,CID2914913,COc1cc(NC(=O)C(C)Oc2ccccc2)c(C(=O)O)cc1OC
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+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID649405,CCOC(=O)c1cccc(NC(=O)CSc2nnnn2C)c1
+,,,,,,,,,,,0.0,,,,,,CID2396097,Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)Nc1cccc(Cl)c1
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+0.0,,,,,,,,,0.0,,,0.0,,,,0.0,CID2307744,Cc1cccn2c(=O)c(/C=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c(N3CCCC3)nc12
+,,,,,,,,,,,0.0,,,,,,CID1256176,O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc2ccccc2s1
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID3242583,O=C(CCNS(=O)(=O)c1cccc2nsnc12)NC1CCN(Cc2ccccc2)CC1
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+0.0,,,,,0.0,,,,0.0,0.0,0.0,,,,,,CID3239882,CCn1cc(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)c(C)n1
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+0.0,,,,,,,,,,,,,,,,,CID5307190,COc1cccc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1837047,Cc1nc(NC(=O)c2ccccc2)nc2cc3c(cc12)OCO3
+0.0,,0.0,,,,,,,,,,,,,,,CID1086922,COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4)noc3C)s2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID4108282,COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CC(C)OC(C)C2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3237286,CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2344996,Nc1nc2ccc(Oc3ccccc3)cc2s1
+,,,,,,,,,,0.0,,,,,,,CID5050469,CCCCn1c(-c2nn(C)cc2Cl)n[nH]c1=S
+,,,0.0,,0.0,,,,,,,,,,,,CID5309081,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCC3)ccc2N1
+,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,,,CID650141,CCNC(=O)c1sc(-c2ccccc2)nc1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2282018,COC(=O)c1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID1535368,CC(=O)Nc1ccc(S(=O)(=O)N2CCNC(=O)CC2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID658407,Cc1cc(C)nc(N2CCN(c3nc(C)cc(C)n3)CC2)n1
+0.0,,,0.0,,,,,,,,0.0,,0.0,,,0.0,CID755850,CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID3157158,Cc1cc(C)nc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)n1
+,,,0.0,,,0.0,,,,,,,,,,,CID3236533,CCCN(CCC)CCCNC(=O)c1cn(CCOC)c(=O)c2c1c1ccccc1n2C
+,,,,,,,,0.0,,,0.0,0.0,,,0.0,,CID652955,CCCCOc1cccc(C(=O)O)c1
+,,,,,0.0,,,,,,,,,,,,CID2891745,O=C1NC(=O)N(c2ccccc2Cl)C(=O)/C1=C/c1ccccc1
+0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID649066,Nc1ccc(C(=O)OCc2nc3ccccc3[nH]2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID1714051,CCCOC(=O)c1c(N)sc2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID2220966,Cc1c(Cl)ccc2c(C(N)=O)cc(-c3ccccn3)nc12
+,0.0,,,,,,0.0,,,,,0.0,0.0,,,,CID1242044,CC(=O)N1CCN(Cc2nc3cc(NC(=O)C4CCCCC4)ccc3n2C)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2284384,O=[n+]1cc(-c2cccc3ccccc23)n([O-])c2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID3813288,CC1CCCCC1NC1=NC(C)(C)CS1
+,,,,,,,,,,,,,0.0,,,,CID5734740,Cc1ccc(C)c(N/C(N)=N/c2nc(C)cc(C)n2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1904162,O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Cl)cc2)Sc2ccccc21
+0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,CID666360,Cc1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c1C(=O)CC(c1ccco1)C2
+,,,,,,,0.0,,,,,,,,,,CID647975,COc1ccccc1NC(=O)N1CCCC1C(=O)NCc1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID805738,S=C(NCCc1ccccc1)Nc1ccc(Br)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2998918,CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)c1c(C)noc1C)n2CCC
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID3245795,CCn1c(N)c(C(=O)NCc2ccco2)sc1=S
+,0.0,,,,,,,,,,,,,,,,CID5389004,O=C1C=Cc2ccccc2/C1=C/NC12CN3CCN(CN(C3)C1)C2
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID3000050,CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)NCC1CCCCC1)n2C
+,,,,,0.0,,,,,,,,,,,,CID3416713,CCOC(=O)C(C)Sc1ncc(-c2ccc(Cl)cc2)cn1
+1.0,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,CID2998954,CC/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCCC1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID2364058,O=C(Nc1nccs1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID3154107,O=S1(=O)CC(O)C(Nc2ccc(Cl)cc2)C1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2997817,O=C(CSc1nnnn1-c1ccccc1)CC(=O)Nc1ccc(Cl)cc1
+,,,,0.0,,,,,0.0,,0.0,0.0,,0.0,,,CID2999690,CCC(C(=O)OCC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1
+,,,,,,0.0,,,0.0,,,,,,,,CID610852,NC(=O)c1oc2ccc(Cl)cc2c1N
+,,,0.0,0.0,,0.0,,0.0,,,,,,,,,CID2326262,CCCC(=O)Nc1nc(C(=O)OCC)cs1
+,,,,,,,,,,,0.0,,,,,,CID3125195,CCOC(=O)/C(C#N)=C/Nc1ccccc1OC
+,,,,,,,,,,,,,,0.0,,,CID2061000,COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2ccccc2o1
+,,,,,,,,,0.0,,,,,,,,CID2222131,CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2966801,CC(=O)NC1C(=O)N(C)c2ccc(Br)cc21
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID1293889,CCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1
+,,,,,,,,,,,0.0,,,,,,CID974683,COc1ccc(-c2cc(C)nc3nc(N)nn23)cc1
+0.0,,,,0.0,0.0,,,,0.0,,,,,,0.0,,CID3245919,O=S1(=O)CC(NCc2ccccc2)C(Nc2ccc(Cl)cc2)C1
+,0.0,,,,,,,,,,,,,,0.0,,CID2998946,COc1ccccc1NC1=NC(c2ccc(Cl)cc2)N=C(N)N1
+,,,,,,,,,,0.0,,,,,,,CID5310340,Cc1cc(NC(=O)CN2CC3CC(C2)c2cccc(=O)n2C3)nc2c1c(=O)oc1ccccc12
+,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,,,CID2668356,CS(=O)(=O)c1cccc(C(=O)Oc2ccccc2)c1
+,0.0,,,,,,,,,,,,,,,,CID648187,O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(-n2cnnn2)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID2536158,Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCc1ccc(C)n1C
+,,,,,,,,,,,0.0,,,,,,CID1527238,COc1cc2c(cc1OC)C(c1ccc(-c3ccc(Cl)cc3Cl)o1)=NCC2
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5328,Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
+,,,,,0.0,,,,,,,,,,,,CID6624259,CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCC(=O)N2CCCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID889087,COc1ccc(C(C)=O)c(OC(=O)c2ccco2)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID1244354,O=C(Nc1cccnc1)c1ccc(Br)s1
+,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID3242706,O=C(CCN1C(=O)COc2ccccc21)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2105319,CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1
+,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,CID1223781,Cc1cc(C(=O)NCc2cccs2)c(C)o1
+,,,,,0.0,,0.0,,,,,,,,,,CID5308270,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(C)c2)c1C
+0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,CID2408764,c1ccc2sc(SCc3ccc(-c4nnco4)cc3)nc2c1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID3239173,COc1cccc(-n2nnc3c(=O)n(CC(=O)N4CCCc5ccccc54)cnc32)c1
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID652938,CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCN(C)CC3)c12
+,,,,0.0,,,,0.0,,,,,,,,,CID645851,O=C(CSC1=NCCS1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1068834,Cc1ccc(S(=O)(=O)Nc2nc(C)cc(-n3nc(C)cc3C)n2)cc1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID666228,COc1ccc(OC)c(-c2c[n+](=O)c3c(n2[O-])CCCC3)c1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,CID652130,CCCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID3982611,CCOc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NC3=NCCS3)cc2)cc1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID661316,O=C1NCC(COCC2CC=CCC2)O1
+0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0,CID3236679,O=C(CCn1cccc1)NCCc1ccc(Cl)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID1093889,COc1ccc(NC(=O)c2nc3nc(C)cc(C(F)F)n3n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID591202,COC(=O)c1ccc(CSC2=NCCS2)cc1
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,,CID3239974,CC(=O)c1ccc(N2CCN(C(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID4610985,Cc1cc2cc(CNC(=O)C3CCCC3)ccc2n1C
+,,,,,0.0,,,,,,,,0.0,,,,CID648571,CCc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,,CID653666,Cc1ccc(NC(=O)c2cccc(Cl)c2)nc1
+,,,,,0.0,,,,,,,,,,,,CID2890562,Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1Cl
+,0.0,,,,0.0,,,,,,,,0.0,,,,CID647670,CC(C)C(c1nnnn1C1CCCCC1)N1CCc2ccccc2C1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID3241342,Cc1cccc(-n2c(C)nc3cc(C(=O)N4CCC5(CC4)OCCO5)ccc32)c1
+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2183437,CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1
+,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0,,CID28912,O=C(c1cc2ccccc2oc1=O)N1CCCC1
+0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,CID3000163,C=CCn1c(SC(C)C(=O)NCc2ccc3c(c2)OCO3)nnc1C1CCCCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1984268,CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)nnc1-c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID873549,Cc1cc(C)nc(NC(=O)/C=C/c2cccs2)c1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID4118026,N#CCCN1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID3543275,O=C(c1ccco1)N1CCN=C1SCc1ccccc1Cl
+,0.0,,,,0.0,,,,,,,,,,,0.0,CID2284358,CCNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1
+,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,CID5389850,O=C1CC(c2ccccc2)N2NC(NC(=O)C3CCCO3)=NC2=N1
+,,,,,0.0,0.0,,0.0,,,,,,,0.0,0.0,CID647086,CCOc1ccc(NC(=O)CN2CCC(NC(=O)C3CCCCC3)CC2)cc1
+,,,,,,,,,,,,,,,0.0,,CID3240566,COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,,,0.0,,,,,,,,CID9550097,CCN(CC)S(=O)(=O)c1ccc(NC2c3ccccc3C(=O)N2c2ccc(C)cn2)cc1
+0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID3244539,Cn1cc(/C=N/n2cnc3scc(-c4ccccc4)c3c2=O)c2ccccc21
+0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,0.0,,CID1252428,C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccco1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,,CID850126,CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID2583718,COc1cc(OC)cc(C(=O)Nc2nc3ccccc3[nH]2)c1
+,,,,,,,,,,,,,,0.0,,,CID5758845,Cc1c(N2C(=O)/C(=C\C3CC=CCC3)SC2=S)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,,,,,,,,,CID3214226,CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nc2cccnc21
+,,,,,,,,,,,,,,,,0.0,CID2970140,O=C(COc1ccc(N2CC(C(=O)O)CC2=O)cc1)Nc1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,,,0.0,,CID3939743,CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3o2)C1
+,,,,,,,,,,,,,0.0,,,,CID1068533,Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2ccccc2)c(C)c1
+,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,0.0,,CID3235937,CCC(C)(NC(=O)CNC(C)=O)C(=O)NC1CCCCC1
+,,,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,0.0,CID658541,O=C(CCC(=O)N1CCc2ccccc21)Nc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9551241,CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID3242415,Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1c2ccc(F)cc2CCC1C
+,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,CID650830,Cc1ccc2c(c1)c(C)c(C)n2CC(O)Cn1nnc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2140739,CN1C(=O)/C(=C\c2ccc(-c3ccccc3)o2)SC1=S
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID818681,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID598249,CCOC(=O)CSCc1c(C#N)c2ccccc2n1C
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID661766,CN(C)/C=N/c1c(C#N)c(-c2ccccc2)c(-c2ccccc2)n1Cc1ccco1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3242278,CC(C)c1ccc(O)c(NC(=O)c2cncc(Br)c2)c1
+,,0.0,,,0.0,,,,,,,,,,0.0,0.0,CID2882558,O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,0.0,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,,CID655144,CCOC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,,CID658012,COC(=O)CSc1nc(N)nc(C)c1Br
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID647803,COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccc(O)c(OC)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID2915733,CC(CC(=O)NC1CCCC1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2603963,NC(=O)c1ccsc1NC(=O)COC(=O)COc1ccccc1F
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID888503,O=c1c2ccccc2nc(-c2ccccc2)n1-n1cccc1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,,CID751798,COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3[nH]2)n1
+,,,,,,,,,0.0,0.0,,,,,,,CID2249966,Cc1cc(C)cc(OCCCCCNCCO)c1
+,,,,,,,0.0,,,,,,,,,,CID24066,Nc1ccn(C2CCC(CO)O2)c(=O)n1
+,,,,,,,,,,,,0.0,,,,,CID5310252,COC(=O)c1ccsc1NC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,0.0,,,,,,,,0.0,CID1177322,COc1ccc(CCNc2oc(COc3ccc(Br)cc3)nc2C#N)cc1OC
+,0.0,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID644501,CCn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O
+0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,,CID1092651,CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID660774,Cc1nc2cncc(Br)c2n1C
+0.0,,,0.0,,0.0,,,,,,0.0,,,,,,CID649736,CCOc1ccc(-c2nnn(CC(=O)c3ccc4c(c3)OCCO4)n2)cc1
+,,,,,,,,0.0,,,,,,,,,CID672047,Cc1cc(C)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C
+,,,,,,,,,,,,,0.0,,,,CID887413,COC(=O)c1cn(C(=O)c2ccc(C)c(C)c2)c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID709452,CCC12CN3CC(CC)(CN(C1)C3c1cccnc1)C2=O
+0.0,,,,,,,,,,,,,,,,,CID1259542,CCOC(=O)c1ccc(-c2nnc(-c3ccc(Cl)cc3Cl)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID789929,COc1ccc(C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID651515,COc1ccc(OC)c(NC(=O)C2C3C=CC(C3)C2C(=O)NCc2ccccn2)c1
+,,,,,,,,,,,,,0.0,,,,CID826703,S=C1CN=C(c2ccccc2Cl)c2cc(Cl)ccc2N1
+,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,CID2864661,CC1=C(C(=O)OCC2CCCO2)C(c2ccncc2)C2=C(CC(C)(C)CC2=O)N1
+,,,,,0.0,,0.0,,,,,,,,,,CID2860669,CC1(O)CC(=O)N(c2ccccc2)O1
+,,,,,,0.0,,,,,0.0,,,,,,CID2421429,CCCNC(=O)Nc1cc(C)on1
+,,,,,,,,,0.0,,,,,,,,CID653790,O=C(Nc1cccc2c1CCCC2)C1CCN(c2nnnn2-c2ccccc2)CC1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID2091261,CCNC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID4317736,COC(=O)C1C(=O)C=C(Nc2ccc(F)cc2)CC1c1ccc(OC)cc1
+0.0,,0.0,,,,,,,,0.0,0.0,,,,,,CID662372,O=C(OCCCN1CCCC1)C1(c2ccccc2)CCCC1
+0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,,CID681612,O=C(NCc1cccnc1)c1ccc(COc2ccc3c(c2)CCC3)o1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID2843805,CCOC(=O)c1sc(/N=C/N(C)C)c(C(=O)OCC)c1C
+,,,,,,,,0.0,,,,,,,,,CID826220,O=C(O)c1ccc(N(c2ccccc2)c2ccccc2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3220888,COc1cc(OC)cc(C(=O)NC2CCN(CC(=O)Nc3cccc4ccccc34)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID744285,O=C(COc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
+,0.0,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,,,,0.0,CID654501,COc1ccc(OC)c(C(=O)CSc2nnnn2C)c1
+,,,,,,,,,,,,,0.0,,,,CID3122089,O=C1NC(=O)C(=Cc2ccc(-c3cc(Cl)ccc3[N+](=O)[O-])o2)C(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID271561,O=C(Nc1ccccc1)O/N=C(/c1ccccc1)c1ccccn1
+,,,,,,,,0.0,,,,,,0.0,,,CID1850932,CCCC(=O)Nc1c(-c2ccc(OC)cc2)c(=O)c2ccccc2n1C
+,,,,,,,,,,,,,,,0.0,,CID5309094,Cc1noc(C)c1S(=O)(=O)N(CC(=O)N1CCCC1)c1ccc(C(C)C)cc1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID2968347,Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)NCc2ccco2)cc1
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID1914390,O=C(Nc1scc(-c2cccs2)c1C(=O)O)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID3275623,Cc1ccc(S(=O)(=O)N2CCCOC2CNC(=O)C(=O)NCc2cccs2)cc1
+0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID1115131,COc1cc(-c2nnc(SCc3c(F)cccc3Cl)o2)cc(OC)c1OC
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID648862,Cn1ncc2c(Nc3ccc(-c4ccccc4)cc3)ncnc21
+,,,,0.0,,,,,,,,,,,,,CID3245790,CCOC(=O)N1CCN(C(=O)CSCC(=O)/N=c2\sc3cc(OC)ccc3n2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID2831646,O=C(CC(c1ccccc1O)N1CCCCC1)N1CCCCC1
+0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,,0.0,,CID2193049,Cc1cccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1C
+,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,CID801369,Cc1ccc(S(=O)(=O)NCC(=O)N2CCC(C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID788756,Cc1ccc(SCC(=O)Nc2ccccc2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID659655,CC(Sc1nc(N2CCCCC2)c2c(c1C#N)CCCC2)C(=O)O
+,,,,,,,,,,0.0,,,,,,,CID395987,O=c1oc2ccc3ccccc3c2cc1-c1nc2ccccc2o1
+,,,,,,,,,,,,,0.0,,,,CID2346919,CCc1cccc(CC)c1-n1c(-c2cccnc2)n[nH]c1=S
+,,,0.0,,,,,,0.0,,,,0.0,,,0.0,CID1247929,Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)n1C
+,,,,,0.0,,,,,,,,,,,,CID2603081,C=CCn1c(SCC(=O)NCc2ccccc2)nnc1C1CCCCC1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID653067,COc1ccc(C(=O)COC(=O)Cn2nnc3ccccc32)cc1Br
+,,,,,,,,,,,,,,0.0,,,CID3943168,CCOc1nc(NC(C)C)nc(N2CC3CC(C2)c2cccc(=O)n2C3)n1
+,,,,,,,,,,,,,0.0,,,,CID1118251,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3237040,CCOC(=O)CNc1nc(OCC#N)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2404972,CCc1cc(SC#N)cc(C)c1NC(=O)CCl
+,,0.0,,,,,0.0,,,,,,,,,,CID648337,O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID738877,CC(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+0.0,,0.0,,,,,,,,,,,,0.0,,,CID661849,Cc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1298156,CCOc1ccccc1N1CCN(C(=S)Nc2ccc(S(N)(=O)=O)cc2)CC1
+0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,CID654774,CCCn1c(O)c(C(=O)NCc2ccc(OC)c(OC)c2)c(=O)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID2925168,COC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID3986120,CCCCn1c(C(C)NC(=O)CCC)nc2ccccc21
+0.0,0.0,0.0,,,,,,,,,0.0,,0.0,,,,CID658745,CCC1(COC(=O)Nc2cccc(Cl)c2)COC1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID654698,CN(C)C(=O)N1CCN(C(=O)N(C)C)CC1
+,,,,,,,,,,,,,,0.0,,,CID5002102,Cc1c(Cl)cccc1NC(=O)CCCn1cnc([N+](=O)[O-])n1
+,,,,,,,,,,,0.0,,,,,,CID687128,O=C(CCN1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID744337,CCC(=O)/C=C1/Sc2ccccc2N1CC
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2333994,CSc1ncccc1C(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID772356,O=C(CCc1ccccc1)Nc1ccc(F)cc1F
+,,,,,,,,,,,,,0.0,,,,CID2457075,CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)OCO3)cc1
+,,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0,CID976976,COC(=O)c1ccccc1COn1c(=O)c(C)[n+]([O-])c2ccccc21
+,0.0,,,0.0,,,,,,,,,,,,,CID665950,O=C(Nc1ccc2c(c1)nc1n2CCSC1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID16191334,COc1cc(C2CC3CN(c4ccccc4)C(=O)C34CCCN24)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2488598,Cc1cc(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc2n1
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID645174,OC(COc1ccc2ccccc2c1Cl)CN1CCOCC1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID3236439,Cc1ccc(-c2nc(CSCC(=O)NCCN3CCN(Cc4ccccc4)CC3)c(C)o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2430108,CC(=O)c1c(C)[nH]c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C
+,,,,,,,,,0.0,,,,,,,,CID3148114,CC(NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID3229592,CC(NC1CCCC1)C(=O)Nc1ccccc1-c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID788238,CC(N)=C1C(=O)CC(C)(C)CC1=O
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID651286,Cc1ccc(C(=O)CSc2nc(C)cc(SCc3nnc(-c4ccccc4)o3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1245143,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCC2
+,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,CID2933365,CCc1cccc(C)c1NC(=O)C1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2764810,CN(C)/C=C(/C(=O)c1ccccc1)n1cncn1
+,,,,,,,,,,,,,,0.0,,,CID2526749,COc1ccc(-c2n[nH]c(=S)n2N)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID3961833,CCOC(=O)c1c(NC(=O)C(C)N2CCN(C(=O)c3ccco3)CC2)sc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID20992,O=C1C=CC(=O)N1CCCCCCN1C(=O)C=CC1=O
+,,,,,,,,,,,,,,0.0,,,CID6509573,Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID5309481,CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,,,,,,,,,0.0,,,CID1226822,CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1451092,COc1ccc(-c2cnc(SCC(=O)Nc3nc(C(C)(C)C)cs3)n2Cc2ccco2)cc1
+,,,,,,0.0,,,,,,,,,,,CID975853,CCn1c(SC)nnc1-c1nnc(SC)n1CC
+,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,CID653066,CCCCCOC(=O)Cc1c(O)[nH]c2ccccc2c1=O
+,,0.0,,,,,,,,,,,,,,,CID3237551,COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccco1
+,,,,,0.0,,,,,0.0,,,,,,,CID5022034,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C)Oc3ccc(Cl)cc3)cc2)no1
+,,,,,,,,,,,,,,0.0,,,CID2091511,Cc1ccc2nc(CSc3nnc(-c4ccncc4)n3C)cc(=O)n2c1
+,,,,0.0,,,,,,,,,,,,,CID658680,CCc1nc(NCC2CCCO2)c(C#N)c2c1COC(C)(C)C2
+,,,,0.0,0.0,,0.0,,,,,0.0,,,,,CID667035,COc1ccc(OC)c(N2C(=O)NC(=O)C3(Cc4cc(C)ccc4N(C)C3)C2=O)c1
+,,,,,,,,,,0.0,,,,,,,CID2438920,c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2Cc2ccco2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID661541,Cn1c(CSc2ccccc2)c(C#N)c2ccccc21
+,,,0.0,0.0,,,,,0.0,,0.0,,0.0,,0.0,,CID1248997,Cc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1S(=O)(=O)N1CCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2351014,O=C(N/N=C/c1ccccc1Br)c1ccc(CSc2cccc3cccnc23)cc1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,,,CID665815,C=CCN(Cc1cc(OC)ccc1OC)S(=O)(=O)N(C)C
+,,,,,,,,,,,,,,,,0.0,CID2423096,O=C(COC(=O)C1CCC1)Nc1ccc(OC(F)F)cc1
+,,,,,,0.0,,,,,,,,,,,CID3237072,CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccn4)CC3)c1)c1ccccc1O2
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID756025,OCCN1CN=C(Nc2nc3ccccc3o2)NC1
+,,,,,,,,,0.0,,,,,0.0,,,CID3439709,O=C(O)C1C2CCC(O2)C1C(=O)Nc1cnn(Cc2ccccc2)c1
+0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,,0.0,,CID2999504,COc1ccc2c(CC(=O)Nc3nnc(C4CC4)s3)coc2c1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1484666,COc1ccc(Oc2nc(SC)nc3ccsc23)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID3238800,CC(=O)Nc1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1
+,,,,,,,0.0,,,,,,,,,,CID3244737,O=C(O)c1ccc(-c2ccco2)n1Cc1ccccc1
+0.0,,,,,,,,,,,,,,,,0.0,CID732340,O=C(COc1ccc(Br)cc1)N1CCCCCC1
+0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0,,CID3654944,CCCNC(=O)N1CCN(c2nc(C(C)C)c3c(c2C#N)CC(C)(C)OC3)CC1
+,,,,,,,,0.0,,,,,,,,,CID651082,Nc1cccc(-c2nc3ccc(N)cc3s2)c1
+,,,0.0,,,,,0.0,,,,0.0,,0.0,,,CID1356335,COc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
+,,,,,,,,,,,,0.0,,,,,CID665660,Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1
+0.0,0.0,0.0,,,,,0.0,,0.0,,,,,,,0.0,CID3239621,Cc1ncoc1C(=O)NCc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2526869,C=CCn1c(SCc2csc(-c3ccc(C)cc3)n2)nnc1-c1ccccc1OC
+,,,,,,,,,0.0,,,,,,,,CID850255,Cc1cc(Oc2cnn(C(C)(C)C)c(=O)c2Cl)cc(C(C)C)c1
+,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,,,CID668614,Nc1nc(CSc2ccccn2)nc(Nc2ccccc2)n1
+,,,,,,,,,,,,,,,0.0,,CID5309023,CCOc1ccccc1C1CC(c2ccc(F)cc2)N=C2N=C(N)NN21
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID1140896,O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCCN1CCOCC1
+0.0,,,,,,,0.0,,,,,,,0.0,,,CID651324,CCOc1ccccc1NC(=O)N1CCC(n2nnc3cc(C)ccc32)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1015747,COc1ccc(Br)cc1C(=O)Nc1ccc(NC(=O)c2ccco2)cc1
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID350697,O=C(O)C1CCCCC1C(=O)Nc1ccccn1
+,0.0,,,,,,0.0,,,0.0,,,,,0.0,,CID653317,CCc1nnc(NC(=O)Cn2nc(-c3ccccc3OC)ccc2=O)s1
+,0.0,,,,,,0.0,,,,,,,,,,CID741085,O=C(Nc1ccccc1C(=O)O)c1ncn[nH]1
+,,0.0,0.0,,,,,,,,,,,,,,CID791293,COc1cc(CN2CCN(c3ccccc3F)CC2)cc(OC)c1O
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID1360932,O=C(C(c1ccccc1)c1ccccc1)N1CCN(Cc2ccncc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4880702,CCN(CC(=O)NC(C)C)C(=O)C(CCSC)NC(=O)c1cccc(C)c1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID3242546,CC(=O)c1cc(-c2ccccc2)n(CC(=O)NCc2cccs2)c1C
+,,,,,,,,0.0,,,,,,,,,CID4342738,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4OC)c(=S)[nH]c3c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1363554,Cc1cc2nc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)oc2cc1C
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID5390050,CC1=CC(=O)/C(=C2\C=C(C(=O)NCc3ccc4c(c3)OCO4)NN2)C=C1C
+0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,0.0,,,,,CID648538,CCCn1c(O)c(C(=O)NCc2ccncc2)c(=O)c2ccccc21
+,,,,0.0,0.0,,,,,0.0,,,0.0,,,,CID644831,C/N=C1\SC(CC(=O)Nc2sc(C)c(C)c2C(=O)OC)C(=O)N1C
+,,,0.0,,,,0.0,,,,0.0,0.0,,,,,CID654705,CCNc1c(N)c(=O)oc2ccccc12
+0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,0.0,0.0,CID3240970,Cc1ccnc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
+,,,,,,,,,,,,,0.0,,,,CID522191,O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID3240300,CC(C)(C)OC(=O)NCc1nc(N)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2915336,COCC(=O)Nc1ccc([N+](=O)[O-])cc1C
+,,,,,,,,,,0.0,,,,,,,CID3792463,CC1CCCCC1NC1=NCCS1
+,,,,,,,,0.0,,,,,,,0.0,,CID3242005,CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID2998584,O=C1C2C3C=CC(C3)C2C(=O)N1Cc1cccnc1
+,,,,,,,0.0,,0.0,,,,,,,,CID5310025,COc1ccc(CCC(=O)NCCc2cn3c(C)csc3n2)cc1
+0.0,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID3245828,COc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)no1
+0.0,0.0,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID768261,CN(CCc1ccccn1)Cc1ccc(Cl)cc1
+0.0,,,,,,,,,,0.0,,,,0.0,0.0,0.0,CID1507925,O=C(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1cccs1
+0.0,0.0,,,,,,,,,,,,,,,,CID648174,c1ccc2c(c1)CCN(Cc1nnnn1Cc1ccc3c(c1)OCO3)C2
+,,,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,CID2947374,CCOc1ccc(N2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)cc1
+,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,CID2890921,CCC(Sc1ccccn1)C(=O)Nc1nnc(C)s1
+,,,,,,,,,,,,,,0.0,,,CID2303069,COC(=O)C(C)NC(=O)COc1ccccc1
+,,,,,,0.0,,,,,,,,,0.0,,CID649840,Cc1ccc(C)c(-c2nc3cc(N)ccc3o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2271723,CCCOC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID1469710,COc1ccc(NC(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1
+0.0,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID3800152,O=C(COC(=O)C1CC(=O)N(C2CCCCC2)C1)c1ccc(F)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1254624,O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccco1
+,,,,0.0,,,,,0.0,,,,,,,,CID1225717,Cc1nc(NC(=O)c2csc3ccccc23)sc1C
+,,0.0,,,,,,,,,,,,,0.0,,CID2174062,COc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCC(C)CC1
+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID3235621,Cc1ccc(NC(=O)Cn2cnc3c(cnn3C(C)(C)C)c2=O)cc1
+,,0.0,,,,0.0,,,0.0,,,0.0,,,0.0,,CID2970251,COc1cccc2cc(C(=O)NC(C)C3CCCO3)c(=O)oc12
+,,,,,,,,,0.0,0.0,,,,,,,CID2843312,COc1ccc(OC)c(CN2CCCC(CO)C2)c1
+,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,CID752241,Cc1ccc2c(c1)C1(C(=O)N2C)N2CC3(C)CN1CC(C)(C2)C3=O
+0.0,,,,,,,,,,,,,,,,,CID3237543,O=C(C1CCC(=O)N1Cc1ccccc1Cl)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID831705,CCn1cc(/C=N/NC(=O)c2ccccc2Cl)cn1
+,,,,,,,,0.0,,,0.0,,,,,,CID702082,Cc1sc(NC(=O)CSC2=NCCS2)nc1-c1ccccc1
+,,,,,,,,,0.0,,0.0,,,,,,CID735915,CCOC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1
+0.0,0.0,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,CID700307,CC(C)CN1C(=O)c2ccc(C(=O)Nc3nccs3)cc2C1=O
+,,,,,,,,,,,0.0,,,,,,CID2906460,Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2448119,O=C(COC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc2ccccc2s1
+,,,,,,,,,,,,,,0.0,,,CID2766488,Clc1cc(Cl)cc(Nc2ncn[nH]2)c1
+,,,,,,,,0.0,,,,,,,,,CID3242656,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,,,,,,,,,0.0,0.0,CID873196,S=c1[nH]ncn1/N=C/c1ccc(Br)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID2196100,CC(=O)Nc1ccc(N/C=C/C(=O)c2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2892437,CC1CC(C)CN(c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)C1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID730135,O=C(Nc1ccc(Nc2ccccc2)cc1)C1CC1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID5307254,CCOCCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O
+,0.0,,,,,,,,,,,,,0.0,,,CID5309428,CC1CCCCC1NC(=O)CC1Oc2ccccc2NC1=O
+,,,,,,,,,,0.0,,,,,,,CID1395397,Cc1ccc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2335842,COc1cccc(OC)c1C(=O)Nc1nc(COc2ccccc2)cs1
+,,,,,,,,,,,0.0,,,0.0,,,CID1001189,CCOC(=O)c1sc(NC(=O)/C=C/c2cnn(C)c2C)c(C(=O)OCC)c1C
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID976262,COc1ccc(NC(=O)CCC2CCCC2)cc1OC
+,,,,0.0,,,0.0,,0.0,0.0,,,,,,,CID3242047,COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCCC3)cc2c1C
+,,,,,,,,,,,,,0.0,,,,CID873698,COc1ccccc1N1CCN(C(=O)/C=C/c2ccc(C)cc2)CC1
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID1293763,Cc1nnc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCCC3)c2)s1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID659543,COc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1
+,,,,,,0.0,,,,,,,,,0.0,,CID5870,CC12CCC3c4ccc(O)cc4CCC3C1CCC2=O
+0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,0.0,,CID644437,O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)NCc1ccco1
+,0.0,0.0,,,,,,,,,,,,,,,CID3237565,Cc1cccc(-n2nnc(C(=O)NCc3ccco3)c2N)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID5310341,CCS(=O)(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C
+,,,,,,,,,,,,,,0.0,,,CID970182,CCN(C(=O)c1cc2cc(OC)ccc2oc1=O)c1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID2889383,CCCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID699769,COc1ccc(Cc2noc(COc3ccc(Cl)cc3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3221605,CCOCCCNC(=S)N1CCCN(c2nc3cc(C)c(C)cc3cc2C#N)CC1
+,,,,,,,,,,,,,0.0,,,,CID2281988,O=C(COc1ccccc1)NCCSCc1ccccc1Cl
+,0.0,,,,,0.0,,,,,,,,,,,CID1307598,Clc1ccc(-n2ncc3c(NCCN4CCOCC4)ncnc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID9550877,Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1C
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID665496,COc1nc2cc(C)ccc2cc1-c1noc(-c2cccnc2)n1
+,,,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,CID665644,CCOc1ccccc1NC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1
+0.0,0.0,,,,,,,,,,,,,,,0.0,CID554211,Nc1nnc(-c2ccccc2Cl)s1
+,,,,,,,,,,,,,,0.0,,,CID1047584,O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID1132888,CCOc1ccc(N(Cc2ccc(OC)cc2)C(=O)c2ccco2)cc1
+,,,0.0,,,0.0,0.0,,,,,,0.0,,,,CID1255350,COC(=O)c1c(N)sc(C(=O)N2CCOCC2)c1C
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID1023977,CCOC(=O)c1nnn(-c2nonc2N)c1CN(C)Cc1ccccc1
+,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,CID3239866,O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID11989,CSc1nc2ccccc2s1
+,,,,,,,,,,,,,0.0,,,,CID5711794,COc1ccccc1NC(=O)C1=C(C)N=C2N=NNN2C1c1ccccc1OC
+,,,,,,,,,,,0.0,,,,,,CID658687,Nc1ccc2c(c1)N1CCN=C1S2
+,,,0.0,,,,,0.0,,0.0,,0.0,,,0.0,,CID684657,COC(=O)c1c(C)[nH]c(C)c1-c1ccccc1
+,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,CID2212572,Nc1ccc(C(=O)c2ccccc2C(=O)O)cc1Cl
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID1566039,CCCCN(C)Cc1c(C)[nH]c2ccc(OCC)cc2c1=O
+,,,0.0,,,,0.0,,0.0,,0.0,,,,,,CID654542,CC(C)c1cc(C(=O)O)on1
+,,,,,0.0,0.0,,,0.0,,,,,,0.0,,CID3236719,COc1cc(NC(=O)c2cc(C)on2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID903825,NC(=O)c1c(NC(=O)c2cccnc2Cl)sc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1295552,Cc1c(Cl)cccc1NC(=O)Nc1ccn(C)n1
+,,,,,,,,,0.0,,,,,,,0.0,CID658278,CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCC4)CO1
+0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0,,CID3236251,Cc1cc(C)cc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)c1
+,,,,,0.0,,,,,,,,,,,,CID11958502,CCCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
+,,,,,,,,,,0.0,,,,,,,CID803348,Cc1cc(OCC(=O)NCC(C)C)cc(C)c1Br
+,0.0,,,,,,,,,,,,,,,,CID660123,CC(C)Cn1c2nc3ccccc3nc2c2c(=O)n(CCN3CCOCC3)cnc21
+,,,,,,,,,,,0.0,,,,0.0,,CID963777,CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccco1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID5309947,Cn1c(C(=O)N2CCCC2)cc2c(=O)n(C)c3ccccc3c21
+,0.0,,,,0.0,,,,,,,,,,,,CID3241693,CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21
+,,,,,,,,,,,,,0.0,,,,CID5145128,O=C(CSc1nc2ccccc2[nH]1)NCC1CCCO1
+,,,,,,,,,0.0,,,,,,,,CID1346808,COC(=O)c1cc(OC)c(OC)cc1NC(=O)Nc1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID5771797,CCC/C=C(\CCC)C(NC(=O)Cc1ccccc1)c1ccc(C(=O)OC)cc1
+,,,,,,,,,,0.0,,,,,,,CID2948213,CCOC(=O)c1cc(NC(=O)N(C(C)C)C(C)C)c(C)nc1C
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID655653,CN(C(=O)c1cnccn1)c1nnc(-c2cnccn2)s1
+0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID666093,Cc1cc(NCCOCCO)n2ncc(-c3ccc(Cl)cc3)c2n1
+,,,,,,,,,,,,,,,0.0,,CID665630,CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccco2)CC2CCCO2)cc1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID1350038,CC1(C)Cc2c(C#N)c(SCC(=O)c3ccccc3)nc(N3CCOCC3)c2CO1
+,,,,,,,,,,,,,0.0,,,,CID3102320,O=C(NCc1cccnc1)C(=O)N/N=C/c1ccc([N+](=O)[O-])cc1
+,,,0.0,,,,,,,,,,,,,,CID5308926,CC(C)Cc1cc(C(=O)NCc2ccco2)no1
+,,,,,0.0,,,,,0.0,,,,,,,CID1989712,Cc1ccc(C)c(NC(=O)CSc2nnc(CCNC(=O)OC(C)(C)C)o2)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID3241631,CCCS(=O)(=O)N1CCCC(C(=O)NCc2cccnc2)C1
+,,,,,,,,,0.0,,,,0.0,,,,CID3154065,CCC(C)NC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID3154610,CCc1ccc(N2CC34C=CC(O3)C(C(=O)OC(C)C)C4C2=O)cc1
+,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,0.0,0.0,CID3236790,CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID665043,CSc1nc(NCCOCCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4
+,,0.0,0.0,,,,,,0.0,0.0,,,,,,,CID660461,CC(C)NC(=O)N(O)C1N(Cc2ccc3c(c2)OCO3)C(=S)SC1(C)C
+,,,,,,,,,,,,,,0.0,,,CID1264941,Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID4426203,CCN(CC)S(=O)(=O)c1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)ccc1C
+,0.0,,,,,,,0.0,,,,,0.0,,,,CID2989582,COCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C
+,,,,,,,,,,0.0,,,,,,,CID664105,CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(N5CCN(CCO)CC5)ncnc4c23)CO1
+,,,,,,,,,,,,,0.0,0.0,,,CID691746,O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID3188472,Cc1ccc(C(C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)C2COc3ccccc3O2)o1
+,0.0,0.0,,,,,,,,,,,,,,,CID666190,Cc1cc2nc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc(C)c2cc1C
+0.0,,,,,,,,,,,,,,,0.0,,CID5307641,Clc1ccc(Cc2nnc(-c3ccccc3Br)o2)cc1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID817623,O=C(CSc1ccccc1)N1CCN(c2ccccc2)CC1
+0.0,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,CID645527,COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
+0.0,,,,,0.0,0.0,,,,,,,,,,,CID5308160,CCCN1CCN(C(=O)CCCn2c(C)c3cnn(-c4ccccc4)c(=O)c3c2C)CC1
+,,,,,,,0.0,,,,,,,,,,CID4619762,CC1(C)CC(=O)CC(C2(O)C(=O)N(Cc3ccccc3)c3ccccc32)O1
+,,,,,,,,,0.0,,,,,,,,CID2837740,NC12CCc3c(no[n+]3[O-])C1(O)CC(c1ccccc1)=[N+]2[O-]
+,,,,,,,,,,,,,,,0.0,0.0,CID3244763,O=C(O)C1C2CCC(C2)C1C(=O)NCCCn1ccnc1
+0.0,,,0.0,,,,0.0,,,,,,,0.0,,,CID658444,CCCCn1c(-c2ccccc2)nnc1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1312447,COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NC(C)C)c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2122510,Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)OCC(N)=O)cc12
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID660565,CC(C)c1nnc(NC(=O)CC(=O)Nc2ccccc2C(=O)O)s1
+,,,,,,,,,,,,,,0.0,,,CID16192434,COc1cccc(CNC(=O)CCC2CCCN(C(=O)c3cc(C)on3)C2)c1
+,,,,,,,,,,,,,,0.0,,,CID1454040,O=C(c1ccccc1F)N(Cc1nc(=O)c2ccccc2[nH]1)C1CCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2764593,O=C(Oc1ccccc1-c1nnco1)c1ccccc1
+0.0,0.0,,,,,0.0,,,,0.0,,,,,,,CID2092263,CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccco3)ccc21
+,,,,,,,,,,,0.0,,,,,,CID5337449,COc1cc2c(cc1OC)C1(N=C3C2=C(C)NN3c2ccccc2)C(=O)Nc2ccccc21
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID650896,O=C(O)CCn1cnc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID3623770,CN(C)CCNC(=O)C1CCCNC1=O
+,,,,0.0,,,,,,,,,,,,,CID2952787,OC1CNCc2cc3c(cc21)OCCO3
+,,,,,,,,,,,,,,0.0,,,CID969933,CC(C)NC(=S)Nc1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1505942,Cc1ccc(OCc2nc3ccccc3nc2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID3178379,Cc1cc2ccccc2nc1SCC(=O)N1c2ccccc2CC1C
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,,CID714819,Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cccnc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID773470,Clc1ccc(-n2nnnc2-c2ccccc2)cc1Cl
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID775809,CCOc1ccc(OCC)c(S(=O)(=O)N2CCC(C)CC2)c1
+,,,,,,0.0,,,,,,,,,,,CID774762,CS(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
+,,0.0,,,,,,0.0,,,,,,,,,CID2956221,COc1ccc(CN2C(=O)C(O)(CC(=O)c3c(C)n[nH]c3C)c3ccccc32)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1262701,Cc1ccc(OC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c(-n2nc3ccccc3n2)c1
+,,,,,,,,,,,0.0,,,,,,CID2581925,CCc1ccc(Nc2nnc(SCn3nnc4ccccc4c3=O)s2)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID2876179,CCn1c2ccccc2c2nnc(SCN3C(=O)c4ccccc4C3=O)nc21
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID2999972,CCN(CC)S(=O)(=O)c1ccc(NC2CCCc3ccccc32)nc1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID1011846,O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)o1
+,,0.0,,,,,,,,,,0.0,,,,,CID3244109,Cc1cccc(N2CCN(C(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)CC2C)c1
+,,,,0.0,,,,,,,,,,,,,CID3245211,Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)NCC2CCCO2)cc1
+,,,0.0,,,,,0.0,,,,,,,,,CID2102825,CN(C)c1ccc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1
+,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,,CID652014,CCCC(=O)c1cn(CC(=O)OC)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID3631677,O=C(Cn1cncn1)NCc1cccc2ccccc12
+,,,,,,,,,0.0,,,,,,,0.0,CID2978519,Cc1cc(Cl)ccc1N1C(=O)CC(SCCC(=O)O)C1=O
+0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,,CID2312128,C=C(C)c1cccc(C(C)(C)NC(=O)Nn2cnnc2)c1
+0.0,,,,,,,,,0.0,,0.0,,,,,,CID605218,N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccccc1
+0.0,0.0,,0.0,,,,,,,,0.0,0.0,,0.0,,,CID751300,CCCn1c(CCNC(=O)c2cccs2)nc2ccccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID2190686,CCOC(=O)C(=O)Nc1nc(-c2ccccc2)c(CC)s1
+,,,,,,,,,,,,,0.0,,,,CID1777481,Cc1ccc(/N=C2/C(=S)N(c3ccc(C)cc3)C(=N)N2/N=C/c2ccc(Cl)cc2)cc1
+,,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,CID2920519,CC(Oc1ccccc1)C(=O)OCn1nnc2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID4189572,O=C(NC(=S)Nc1ccc(Br)cn1)c1cncc(Br)c1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID787512,CC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2
+,0.0,,,,,,0.0,0.0,0.0,,,,,,,,CID666825,O=c1nccc(NCc2ccco2)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID646892,COCCNC(=O)C(C)OC(=O)c1nsc(Cl)c1Cl
+,,,,0.0,,,,,,,,0.0,,,,,CID3243712,C=CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID2337135,CN(C(=O)/C=C/c1ccco1)c1ccccc1C(=O)O
+,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID1970948,Cn1c(=O)oc2cc(S(=O)(=O)NCCCN3CCCC3=O)ccc21
+,,,,,,,,,,,,,,,,0.0,CID2950862,Cc1nn(CC(O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(C)c1Br
+,,,,,,,,,,,,,0.0,,,,CID15995741,CCOc1ccc(-n2c(=O)c3sccc3n(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID3242379,COc1ccccc1N1CCN(C(=O)C(NS(=O)(=O)c2cccs2)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1188123,O=S(=O)(Nc1ccc(O)c(Sc2nc3ccccc3s2)c1)c1cccc2ccccc12
+,,,,,,,,,,,,,0.0,0.0,,,CID1164175,O=C(Nc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID647739,CCC(=O)Nc1ccc(NC(=O)CSc2nnnn2C(C)C)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID5771437,Fc1ccc2nc3[nH]c4ccccc4c3nc2c1
+,,,,,,,,,,,,,0.0,,,,CID1158973,COc1ccc(Nc2nc(OC)nc(N3CCOCC3)n2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID5308188,O=C(NCc1ccccc1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+,,,,0.0,,,,0.0,,,,,,,,,CID3243738,CCc1nn2c(=O)cc(CSc3nc4sc5c(c4c(=O)n3C)CCCC5)nc2s1
+,,,,,,,,,0.0,,0.0,,,,,,CID705246,COc1ccc(NC(=O)CSc2nncn2C)cc1OC
+,0.0,,,,,,,0.0,,,,0.0,,,,0.0,CID2159423,CCOC(=O)CSc1nnc(CNC(=O)c2ccc(OC)cc2OC)n1C
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID650231,CC1Oc2ccccc2N(CC(=O)NCCc2ccccc2)C1=O
+,,,,,,,0.0,,,,,,,,,,CID5389594,CC/C(Nc1ccc2c(c1)CCC2)=C1/C(=O)NC(=O)N(C2CCCCC2)C1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID782039,C/C=C(\C)CN1CCN(c2ccc(C)cc2)CC1
+,0.0,,,,,,0.0,,,,0.0,,,,,0.0,CID2998914,CCCN(CCC)c1nc(C)cc(C(C#N)c2nc3ccccc3o2)n1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID666811,Cc1cc(C)c2c(n1)nn1c(NCCCN(C)C)cc(C)nc21
+,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID2397006,CCc1nnc(NC(=O)c2nc3nccc(C)n3n2)s1
+,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,CID2967055,O=C(CCC1COc2ccccc2O1)Nc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID722472,O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,0.0,,0.0,,,,CID5308874,Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccc(Br)cc32)c(C)c1
+,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID656376,Cc1ccc(-c2nnc(N(C)C(=O)C3CCCO3)s2)cn1
+,,,,,,,,,,,,,,0.0,,,CID2270699,C=CCN1C(=O)/C(=C\c2ccco2)C(C(=O)OC)=C1C
+,,,,,,,,,,,,,,0.0,,,CID1012266,COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID609555,CC(C)(C)NC(=O)Cn1c(=O)n(CC(=O)NC(C)(C)C)c2ccccc21
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2072949,O=C(c1csc2c1CCCC2)N1CCCCC1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2092311,CSCCC(NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1)c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1479185,O=C(NCCS(=O)c1ccc(Cl)cc1)c1cccc(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID873658,CCOc1ccc2nc(SCc3ccc(Cl)cc3)nc(C)c2c1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID664648,Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCCN2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1487243,C=CCN(N(C)c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID4835550,CCN(CC(=O)NC1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(C)c(C)c1
+,,,,0.0,,,,,,,,,,,,,CID1975622,COC(=O)C1=C(N)Oc2c(c(=O)oc3ccccc23)C12C(=O)N(C)c1ccccc12
+,,,,,,,,0.0,,0.0,,,,,,,CID290685,CNc1c([N+](=O)[O-])ncn1C
+,,,,,,,,,,,0.0,,,,,,CID2062261,CCOC(=O)CC(=O)CSc1nc(C)cc(C)c1C#N
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID4132225,Cc1cccc(-n2ccnc2SCC(=O)Nc2nnc(C)s2)c1
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID1314731,CCn1c(=O)[nH]c2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID4258041,CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID1300305,O=C(NC1=NCCS1)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,CID3237892,COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(SCC(=O)Nc3ccccc3OC)nc2c1
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID2999030,CCn1c(CSc2nnc(C)n2-c2ccccc2)nc2cc(S(=O)(=O)N(C)C)ccc21
+,,,0.0,,,,,,0.0,,,,,,,,CID5310436,Cc1c(C(=O)N2CCCc3ccccc32)sc2nc(-c3ccccc3)cn12
+,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID1093361,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1
+,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0,,CID652352,Cc1sc2c(c1C)C(c1cccs1)=NCC(=O)N2CC(=O)NCc1cccs1
+,0.0,,,,,,,,,,,,,,,,CID5309149,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID2217851,COCCNC(=O)CSCc1c(F)cccc1Cl
+,,,0.0,,,,,,,,,,,,,0.0,CID645957,COc1ccc(OC)c(NC(=O)Cn2c(-c3ccc(Cl)cc3)noc2=O)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID660711,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCCC2)cc1
+0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,CID2524239,Cc1cc(C)n2nc(SCC(=O)Nc3c(C)nn(-c4ccccc4)c3C)nc2n1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID1255446,Cc1cc(OCc2nc(-c3cccnc3)no2)c(C)cc1Br
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2238215,CCN(CC(=O)Nc1ccc(S(N)(=O)=O)cc1)S(=O)(=O)c1cc(C)ccc1OC
+,,0.0,,,,0.0,,,,,,,,,,,CID898195,CCS(=O)(=O)N1CCN(c2ccccc2F)CC1
+,,,,,,,,,,,,,0.0,,,,CID2377208,Cc1nn(-c2ccccc2)c2nc3c(cc12)C(=O)CCC3
+,,,,,,,,,,,,,,0.0,,,CID774008,O=C(Nc1ccccn1)c1ccc(Cl)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,,0.0,,,CID3555113,COc1ccc(NC(=S)Nc2ccc(N)c([N+](=O)[O-])c2)cc1
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID662588,Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccco1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID962780,C(=N/n1cnnc1)\c1cccn1-c1ccccc1
+,,0.0,0.0,,,,0.0,,,0.0,,,,,,,CID648503,CCCn1c(SCC(=O)Nc2cccc(NC(C)=O)c2)nnc1C(C)C
+,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,,,CID660081,COC(=O)c1cc2c(=O)n3ccccc3nc2n(C)c1=N
+,,,,,0.0,,,,,,,,,,,,CID841948,O=C(Cc1ccccc1)NNC(=O)Nc1cccc(Cl)c1
+,,0.0,,,,,,,,,,,,,,,CID2215647,O=C(O)c1ccccc1OCCOCCOc1ccccc1C(=O)O
+,,,,,,,,0.0,,,0.0,,,,,,CID797886,O=C(C1CCCCC1)N(Cc1ccccc1)c1ccccn1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID1287636,Cc1cc(OCC(=O)NCCN2CCOCC2)ccc1Br
+,,,,,,,,,,,,0.0,,,,,CID645323,COc1ccc(Nc2nc(N)nc(CSc3n[nH]c(-c4ccccc4)n3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2547336,O=C(CSc1nncn1-c1ccccc1)c1c[nH]c2ccccc12
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID2128178,COc1ccc2c(CC(=O)OCC(=O)N3CCc4ccccc43)coc2c1
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID3238344,CN1C(=O)c2ccccc2C(C(=O)NCc2ccco2)C1c1c[nH]c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2850023,COc1ccc(C(=O)NC(=S)N2CCSCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1737055,CCOC(=O)C(=O)NCc1ccc(/C=C2\C(=O)C(C(=O)OC)=C(C)N2c2ccc(C)c(C)c2)o1
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID653566,O=C(CN1C(=O)COc2ccccc21)Nc1ccc2c(c1)OCCO2
+,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID650348,O=C(CCCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
+,,,,,,,,,,0.0,,,,,,,CID2496595,CC(C)NC(=O)COc1ncnc2sccc12
+,,,,,,,,,,,,,,,0.0,0.0,CID3244124,Cc1ccccc1CS(=O)(=O)CCC(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3245778,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCc4ccccc4)c(=S)[nH]c3c2)CC1
+0.0,0.0,,,0.0,,,,0.0,,,,,,,0.0,,CID1071736,Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc2c(c1)OCO2
+,,,0.0,,,,,,,,,,,,,,CID661506,Cc1cc(C)n(CC2CC(=O)N(c3ccc(F)c(Cl)c3)C2=O)n1
+,,,,,0.0,,,,,,,,,,,,CID3701194,Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1
+,,,,,,,,,,,,,,,0.0,,CID1245208,CS(=O)(=O)N1CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1
+,,,,,,,,,,,,,0.0,,,,CID1043512,O=c1c2ccccc2nc(CSc2ncnc3nc[nH]c23)n1-c1cccc(C(F)(F)F)c1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3241687,O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID2443327,O=S(=O)(c1cccc(F)c1)N1CCN(C(=S)NCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2196420,O=C(/C=C/Nc1ccc(Oc2ccccc2Cl)cc1)c1ccco1
+,,,,,,,,,0.0,,0.0,,,,0.0,,CID3241935,COc1ccc(OC)c(NC(=O)CCn2cccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID730923,O=C(Nc1ccccc1C(=O)Nc1cccnc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID770699,O=C(N/N=C/c1cccnc1)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID776862,COc1ccc(S(=O)(=O)N2CCOCC2)cc1OC
+,,,0.0,,,0.0,0.0,0.0,,,,,0.0,,0.0,,CID2931238,COc1ccc(OC)c(S(=O)(=O)Nc2cnc3ccccc3c2)c1
+0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,CID2630238,CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CSc1nnnn1C
+,,,,,,,0.0,,0.0,,,,,,,,CID2900748,O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,0.0,,CID2162909,CCOCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID666428,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1
+0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,,,CID646431,Cc1ccnc(N2CCC(C(=O)NC3CCCCCC3)CC2)n1
+,,,,,0.0,,,,,,,,,,,,CID1212494,N=c1oc2ccccc2cc1C(=O)N/N=C/c1ccccc1
+,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,,CID2198419,COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccccc2)n1N
+,0.0,,,,,,,,,,,,,,,,CID2372435,Cc1n[nH]c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc1=O
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID1587413,CC1=C(C)/C(=N/OS(=O)(=O)c2ccccc2)C=CC1=O
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,CID3238597,C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID1263982,Cc1cccn2cc(CSc3ccccc3N)nc12
+,,,,,0.0,,,,,,,,,,,,CID2908635,CC1(C)C(=O)OC(C(=O)c2ccccc2)C(C)(C)C1=O
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID779394,CCOC(=O)N1CCN(c2ccc3nnnn3n2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1616097,O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)Nc1cccc2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID2974685,COc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c([N+](=O)[O-])c1
+0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID646298,Cc1nc2ccc(NC(=O)N3CCC(c4ccccc4)C3)cc2nc1C
+,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,,CID661382,OCCNc1nc(-c2ccccc2)c2ccccc2n1
+,,,,,,,,0.0,,,,,,,,,CID2769170,CC(C)CC(=O)Nc1nc(=S)ss1
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID654997,CCOc1ccc(Cc2nn[nH]n2)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID665956,CCCc1nnc(NC(=O)c2cccc(OC)c2)s1
+,,,,,,,0.0,,,,,,,,0.0,,CID659722,COC(=O)c1c(=O)n(O)c2ccc(OC)cc2[n+]1[O-]
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID647709,OCCNc1ncnc2ccc(Br)cc12
+,,,,0.0,,,,,,,,,,0.0,,,CID4130356,Cc1c(C(=O)NCC2CCCO2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,,CID644919,COCCNC(=O)CN(C(=O)CCC(=O)Nc1ccccn1)c1ccc(F)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID766872,CCCc1nnc(NC(=O)CSc2nc3ccccc3[nH]2)s1
+,,,,0.0,,,,,,,,,,,,0.0,CID3245688,CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2
+,,,0.0,,,,,0.0,,,,,,0.0,,,CID654429,COc1cccc(-c2ccc(=O)n(CC(=O)Nc3cc4c(cc3NC(C)=O)OCCO4)n2)c1
+,,,,,,,,,,,,,0.0,,,,CID800646,Cc1c(Cl)cccc1NC(=S)NCc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID3365953,CC(OC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)C(=O)Nc1ccc(Cl)cn1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID2208130,COc1ccc(N(CC(=O)Nc2ccccc2SC)S(C)(=O)=O)cc1OC
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID2999393,CN1CC(=O)N=C1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID2444737,O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)NC1CCCCC1
+0.0,,,,,,,,,,,,,,,,,CID2968082,O=C1Nc2c(c(=O)[nH]c(=O)n2-c2ccccc2)C1(Nc1ncccn1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID4184898,CCOC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID2839950,CC1=C(C(=O)OCc2ccccc2)C(c2ccsc2)C(C#N)=C(N)O1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID1118369,COc1ccc(C(=O)CN2C3=NCCCN3c3ccccc32)cc1OC
+,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID4361852,O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID651654,CCN(CC)C(=O)CN1C(=O)C2CC=C(Cl)CC2C1=O
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID709905,CC12CN3CC(C)(CN(C1)C3c1cccs1)C2O
+,,,,,,,,,,,,,,0.0,,,CID860501,O=C(Nc1nnc(Cc2ccccc2)s1)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID4415447,CCNC(=S)NNC(=O)c1csc(CC)c1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID3243467,CCN1CCCC1CNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID1316617,CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nn(CC)cc1Br
+,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0,CID654934,CC(C)(C)c1ccc(-c2nnc(SCC(=O)O)n2N)cc1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,CID2224658,COCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,,CID2952839,COc1cc2c3c(c1)C1(C(=O)N3C(C)(C)C=C2C)C(C#N)=C(N)Oc2cc(O)ccc21
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2866167,CCOC(=O)CC1=C(C(=O)OCC)C(c2ccncc2)C(C#N)=C(N)O1
+,,0.0,,,,,,,,0.0,,,,0.0,,,CID3237251,CCOc1ccc(CCNC(=O)C2CCN(C(=O)N(C)C)CC2)cc1OCC
+,,,,,0.0,,,,,,,,,,,,CID5742550,Cc1cccc(N2C(=O)/C(=C/Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)n1
+,,,,0.0,,,,,,,,,0.0,,,,CID2147095,O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID2853608,O=S(=O)(Cc1ccccc1)NCC1CCCO1
+,,,,,,,,0.0,,,,,,,,,CID1872714,CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1362250,C=CCc1ccccc1OCCn1cc(/C=C2/SC(=S)NC2=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID790976,Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-]
+,,,,0.0,,,,,,,,,,,,,CID644528,COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)cc1
+,,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID3240839,CCCCNC(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1329446,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID9550748,COCCNC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)nn2c1C
+,0.0,,,,,,,,,,,,,,,,CID649526,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)Cc2ccc(F)cc2)no1
+0.0,0.0,,,0.0,,,,,,0.0,0.0,,,0.0,0.0,,CID662253,c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cnccn2)c1
+,,,,,,,,,,,,,,0.0,,,CID2999304,O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1
+,0.0,0.0,0.0,,,,,,,0.0,,,,,,,CID3241078,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)NCC1CCCO1
+0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,,,CID648400,COc1ccc(-n2c(SCC(=O)N3CCCCC3C)nnc2-c2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID765844,O=C(O)CCCC(=O)Nc1ccc(Cl)cc1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID664725,COc1nnc(-c2ccc(C(=O)N3CC4CC(C3)c3cccc(=O)n3C4)cc2)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID5737786,CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCC(=O)OC)N(CC(=O)OC)C2=S)cc1
+,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID666719,Cc1occc1-c1nnc(SCC(=O)c2ccc(F)cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID2134372,Cc1ccc(S(=O)(=O)/C(=C/Cl)NC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2536269,CC(C)(C)NC(=O)NC(=O)COC(=O)c1cccc(F)c1
+,,,,,0.0,,,,,,,,,,,,CID2885054,O=C(Oc1ccccc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID1073978,COc1ccc(Cc2c(O)nc(SCC(=O)N3CCCCCC3)[nH]c2=O)cc1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID664163,COCc1ccccc1Cn1cnc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,,,,,,,,,,0.0,,,,CID5307293,O=C1c2ccccc2C(Nc2ccc3nc(-c4cccnc4)[nH]c3c2)N1Cc1ccco1
+,,,0.0,,,,,,,,,,,,,,CID619283,Cc1sc2nc3n(c(=O)c2c1C)NC(=O)CC3
+,,,,,,,,,,,0.0,,,,,,CID650890,CCN(CC)C(=O)Cn1nnc(-c2ccc(C)o2)n1
+,0.0,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID2127009,Cc1cc(C)c(C(=O)CN2C(=O)CCC2=O)cc1C
+0.0,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,,CID2539875,Cc1ccc2cccc(Oc3cnccn3)c2n1
+0.0,,,,,,,,,,,,0.0,,,,,CID2862213,CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)c(Cl)c2)=C(C#N)C1c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1832425,Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C\c3cc(C)n(C)c3C)C2=O)c1
+,,,,,,,,,,,,,,,0.0,,CID5758099,CC(N/C=C1\C=CC=C(O)C1=O)c1ccccc1
+,,,,,,,0.0,0.0,,0.0,,,,0.0,,,CID5310824,CC(O)/C=C/c1ccc2ccccc2n1
+,,,,0.0,,,,,,,,,,,0.0,,CID653970,CC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)c1snc(C(=O)NC2CCCC2)c1N
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID661251,COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1166109,Fc1cccc(Cl)c1Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
+,,,,,,,,,,,0.0,,,,,,CID739041,O=C(O)CSc1nc(=O)cc(-c2ccccc2)[nH]1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID896600,Cc1occc1C(=O)NCc1ccccn1
+,,,0.0,,0.0,,,,,,,,,,,,CID647628,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCc3nnc(-c4ccc(C)cc4)o3)o2)cc1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID3242715,COC(=O)C1=C(NC(=O)c2ccc(C)c(C)c2)CCS1
+0.0,,,,,,,0.0,,,,,,,,,,CID5307097,Cn1c(C(=O)NC2CCCCC2)cc2c(=O)n(C)c3ccccc3c21
+,,,,,,,,,,,,,0.0,,,,CID680195,O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID9551295,Cc1ccc(CCNC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
+,,,,,0.0,,,,,,,,,,,,CID2889173,COC(=O)c1cc(NC(=O)c2ccc3ccccc3c2)cc(C(=O)OC)c1
+,,,,,,,0.0,,,,,,,,,,CID5311203,CCOC(=O)c1ncn2c1C1CCCN1C(=O)c1cc(OC)ccc1-2
+,,,,,,,,,,,,,0.0,,,,CID5759330,CC1(C)Oc2ccc(/C=C/C(=O)N3CCOCC3)c(O)c2C(N2CCOCC2)C1O
+,,,,,,0.0,,,,,,,,,,,CID891628,CCSc1nc(=S)n(CC)c(C)c1C(C)=O
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID891086,S=c1[nH]nc(Cc2ccccc2)n1Cc1ccco1
+,,,,,,,,,,0.0,0.0,,,,0.0,,CID733806,CC(C)=CC(=O)Nc1ccccc1Br
+,,,,,,,,,,,0.0,,,,,,CID1017024,COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccccc1
+,0.0,,,0.0,,,0.0,,,,,,,,,0.0,CID702228,O=c1nc(-c2cccs2)[nH]c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID3154649,CCC(C)N1CC23C=CC(O2)C(C(=O)OC)C3C1=O
+0.0,,,0.0,,0.0,,,,0.0,,,,,,,,CID656263,Cc1n[nH]c(SCC(=O)NCc2cccs2)nc1=O
+,,,,,,,,,0.0,,,,,,,,CID1483382,CNC(=O)c1ccc(-c2ccc(OC)cc2)s1
+0.0,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID5307765,CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID2970624,CSc1ccccc1NC(=O)C1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2906400,O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F
+,,,,,,,,0.0,,,,,,,,,CID3773883,CON/C=N/C(=O)NOCc1ncc(C(F)(F)F)cc1Cl
+0.0,,,0.0,,,,,,,,,,,,,,CID5309729,CCOC(=O)C1CCCN(c2c(N3CCC(N4CCCCC4)CC3)c(=O)c2=O)C1
+,,,0.0,,,,0.0,,,,,,,,,,CID660194,C=CCNc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCCCC
+,,0.0,,0.0,,,,,,,,,0.0,,,,CID2937844,COC(=O)C1=C(C)N=c2s/c(=C\c3ccoc3)c(=O)n2C1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID589404,Nn1c(COc2cccc(Cl)c2)nc2ccccc2c1=O
+,,,0.0,0.0,,,,,,,,,,,,,CID4399342,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nnc(C)s3)C2)cc1
+,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID2961335,COc1ccc(-c2nnc(SC(C)C(=O)Nc3nccs3)n2-c2ccccc2)cc1OC
+,,,,,0.0,,,,,0.0,,,,,,,CID2423469,CNC(=S)NN(c1ccccc1)c1ccccc1
+,0.0,0.0,,,,,,0.0,0.0,,,,,,,,CID3239284,COc1ccc(C(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1442664,CCCc1nc(SCC(=O)c2ccc(OC)cc2)c2ccccc2n1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID649397,COCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1
+,,,0.0,,,,,,,,,,,,0.0,,CID731839,CC(C)=CC(=O)N1CCCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID5209980,Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cs1
+,,,0.0,,,0.0,,,,,,,,,,,CID752807,NC(=O)c1cccc2c3c([nH]c12)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID2307917,O=C(NCc1ccncc1)c1cc2ccccc2nc1Cl
+,,0.0,,,,,,,0.0,,,,,,,,CID2930680,CC(NC(=O)C1C2C=CC(C2)C1C(=O)O)c1ccccc1
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID2736920,Cc1cc2c(ccc3c2no[n+]3[O-])nn1
+,,,,,,0.0,,,,,,,,,,,CID1150890,COc1ccc(CCNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID16187044,O=c1c2nnn(-c3ccccc3)c2ncn1C/C=C/c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1084660,CC(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1
+,,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,CID2492038,CCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc(C)c(C)c2c1=O
+,,,,,0.0,,,,,,,,,,,,CID854555,COC(=O)c1c(C)oc2ccc(OCC(=O)c3ccccc3)cc12
+,,,,,,,,,,0.0,,,,,,,CID3152214,COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID3200690,O=C(NC1CCCCC1)C(c1ccc(F)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1
+,,,,,,,,,0.0,,,,,,,,CID1476741,Cc1ccc(Cn2ccc(-c3cnc(-c4ccccc4)s3)n2)cc1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID647924,CCSc1nc2ccccc2n1CCC(=O)O
+,,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID566349,O=C(Cc1cccs1)Nc1ccc2c(c1)C(=O)OC2
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID828752,CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(C)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID653741,CC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID839551,COc1cc(NC(=O)CSc2ccccc2)c(C(=O)O)cc1OC
+,,,,,,,,,,,0.0,,,,0.0,,CID658210,N/C(CCCN1CCCCC1)=N\O
+,0.0,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,CID2857923,CC1(C)CC(=O)C(C#N)=C(NCCCO)C1
+,,,,,,,,,,,,,0.0,,,,CID2898037,O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
+,,,,,,0.0,,,0.0,,,,,,,,CID907763,COC(=O)C(C(C)C)n1c(C)c(C(C)=O)c(C(C)=O)c1C
+,,,,,,,,,,,,,,0.0,,,CID2090861,Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3Cl)c2c1C
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID2066628,CCCOC(=O)Nc1cc(OC)c(Cl)cc1OC
+,,,,,,,,,,,0.0,,,0.0,,,CID1410254,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccoc3)C2C1
+0.0,,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID646209,CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCCCC1
+0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,CID824050,COc1ccc(Br)cc1C(=O)Nc1nnn(C)n1
+,,,,,,,,,0.0,,,,,0.0,,,CID1093136,Cc1ccc(OCCn2c(=O)sc3ccccc32)cc1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID650705,Cc1ccc(S(=O)(=O)NC2=NCN(C3CCN(Cc4ccccc4)CC3)CN2)cc1
+,,,,,,,,,0.0,,0.0,,,,,0.0,CID2955655,CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CN1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID5307586,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccn3)ccc21
+,,,,,,,,,,0.0,,,,,,,CID5685352,CCOC(=O)C1=C(c2cscn2)/C(=C2\C=C(CC)C(O)=CC2=O)NN1
+,,,,,,,,0.0,,0.0,,,,,,,CID3168071,COc1ccc(NC(=O)CSc2nc(=O)cc(NS(=O)(=O)c3ccc(C)cc3)[nH]2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2936808,CNC(=O)C1CC(=O)N(Cc2ccc(OC)c(OC)c2)/C(=N/c2ccc(OC)cc2)S1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID3241469,CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(F)cc3)n2n1
+,,,,,,,,,,,,,0.0,,,,CID1583581,Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=S)o2)c([N+](=O)[O-])c1
+,,,,0.0,,,,0.0,,,,,,,,,CID2682441,O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)N1CCOCC1
+,,,,,0.0,,,0.0,,,,,,,,,CID9551020,Cc1cccc(OCC(=O)Nc2cccc3nsnc23)c1
+,0.0,,,,,0.0,,,,,0.0,,,,,0.0,CID3245347,CCCc1ccc(C(C)NC(=O)c2cnccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2336024,COc1ccc(CC(=O)OCC(=O)Nc2cccc(Br)c2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3243606,O=C(CCN1CCN(C(=O)c2ccco2)CC1)Nc1ccc(F)cc1
+,,,,,,0.0,,0.0,,,,,0.0,,0.0,,CID1163207,O=C(Nc1ccc(Cl)cc1)N(Cc1cccs1)Cc1cccs1
+,,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID663367,O=C(NCc1ccc(F)cc1)NC(Cc1ccccc1)C(=O)O
+,,,0.0,,,,,0.0,,,,,,,,,CID3240252,O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID967885,COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID4456982,COc1cc(/C(C)=N/N2CCOCC2)cc(OC)c1OC
+,0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,0.0,,,CID655013,Cc1cc(NC(=O)CSc2ncn(-c3ccccc3)n2)no1
+,,,,,,,,,,,,,,0.0,,,CID1503274,O=C(NC(=O)c1ccccc1)OCCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID1011913,Cc1ccc(OC(=O)CCC(=O)Nc2ccc(Br)cc2)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID2764765,COC(=O)c1sc2cnccc2c1N
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID650724,CC(=O)NC1CCC(C(=O)O)(c2ccccc2)C1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID661324,Nc1nc(CSc2n[nH]c(-c3ccccc3)n2)nc(Nc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID5709973,CCO/C(O)=C1/C(=O)c2ccccc2N(C)C1=O
+,,,,,0.0,,,,,,,,,,,,CID2892040,CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(OC(=O)c2ccco2)c(OC)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID648854,COCCn1nnnc1C(c1cc2cc(OC)ccc2[nH]c1=O)N1CCC(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID892364,S=C(NC1CCCC1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1311289,S=C(NCCc1ccccn1)Nc1ccccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID655691,Cc1ccc2cc(CN(CCN3CCOCC3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1C
+,,,,0.0,0.0,,0.0,,,,,,,,,0.0,CID2897594,CCC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1cccnc1
+,,,,,,0.0,,,,,,,,,,,CID1289158,Fc1ccccc1N1CCN(Cc2nc(-c3ccc(Cl)cc3Cl)no2)CC1
+,,,0.0,,,0.0,0.0,0.0,,,,,,,0.0,,CID659973,CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C(C(=O)OC)C(=O)N1
+0.0,,,,0.0,,,,,,0.0,0.0,0.0,,,,,CID660531,Cc1ccccc1OCc1nc2ccccc2c(=O)n1NC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1471768,CSc1ccc(C#N)cc1NC(=O)c1cccc(Cl)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID2998839,N#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1
+0.0,,,,,,,,,,0.0,,,,,,,CID894150,CCc1ccc(OCC(=O)N(C)C)c(Br)c1
+,,,,,,,,,0.0,,,,,,,,CID3156984,CC(C)N1CC(C(=O)Nc2ccccc2)CC1=O
+0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID649215,O=C(CSc1n[nH]c(C2CCCC2)n1)NC1CCCC1
+,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,,CID2998104,O=C(NCc1ccncc1)C12CC3CC(CC(C3)C1)C2
+0.0,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,CID1088156,CCOC(=O)c1oc2ccccc2c1CN1CCN(C(=O)c2ccccc2)CC1
+,0.0,,,,,,,,,,,,,,,,CID5389677,CCCCc1cc(=O)oc2c(CN(C)C)c(O)c(Cl)cc12
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID758295,S=c1[nH]nc(-c2ccncc2)n1Cc1ccco1
+,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2123972,COc1cc(-c2nnc(COC(=O)CSc3cc(C)c4ccccc4n3)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2352325,COc1ccc(/C=N/NC(=O)c2ccc(CSc3nc(C)cc(C)n3)cc2)cc1O
+,,,,,,,,,,,,,,0.0,,,CID750519,COc1ccc(OCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1282221,O=C(CSc1ncccn1)N/N=C/c1cccc(OC2CSC2)c1
+,,,,,,,,,,0.0,,,,,,,CID739803,COc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4881943,CCc1ccc(N2CC(C(=O)Nc3nnc(CC)s3)CC2=O)cc1
+0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID892623,CCn1ncc(Cl)c1C(=O)Nc1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID2029291,CCCc1nnc2c(N(C)S(=O)(=O)c3ccccc3)nc3ccccc3n12
+,,,,,,,0.0,,,,,0.0,,0.0,0.0,0.0,CID3158993,COc1ccccc1NC(=O)C1(C)Cc2ccccc2C(=O)O1
+0.0,,,0.0,0.0,,0.0,,,,,,,,0.0,,,CID2999944,COc1ccc(C)cc1-n1nnnc1SCc1cn2ccsc2n1
+,,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID662017,COCCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12
+,,,0.0,,,,,,,,,,,,,,CID5389144,O=C(O)C1=CC2=NC(c3ccccc3)CC(C(F)(F)F)N2N1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3245060,O=C(NC1CCCCC1)N1CCCCCCC1
+,,,,,,,0.0,,,,,,,,,,CID5389428,Cc1cc(N2C(=O)C(=O)/C(=C(/O)c3ccccc3)C2c2cccs2)no1
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID942821,CC(C)CC(NC(=O)Nc1ccccc1F)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID3251511,Cc1cc2cc(CNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)ccc2n1C
+,,0.0,0.0,,,,0.0,,,0.0,,,,,,,CID659902,CC1CCCCN1c1nc(-c2ccncc2)nc2ccccc12
+,0.0,,,,,,,,,0.0,,0.0,,,,0.0,CID1523486,CC(=O)Nc1sc2c(c1CN1CCN(c3ccccn3)CC1)CCCC2
+,0.0,,,,,,,,,,0.0,,,,,,CID651731,CN1CCN(c2nc3nonc3nc2N2CCN(C)CC2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1540666,CC1CCN(S(=O)(=O)c2ccc3c(c2)C(=NO)c2cc(S(=O)(=O)N4CCC(C)CC4)ccc2-3)CC1
+,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,CID660167,O=C1c2sc3nc4c(c(=O)n3c2C(=O)N1c1ccccc1)CCC4
+,,,,,,0.0,,,,,,,,,,,CID3244150,N#CCCn1ncc2ccccc21
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID1506925,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
+,,,,,,,,,,0.0,,,0.0,,,,CID2120260,COc1cccc(NC(=O)COC(=O)c2c(-c3ccccc3)noc2C)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2382321,CC(C)NC(=O)c1cc(-c2ccco2)nn1-c1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID646647,COc1cc(C(Nc2ccc3c(c2)OCO3)C(=O)NC2CCCCC2)cc(OC)c1OC
+,,0.0,,,,,,,,0.0,,0.0,,0.0,,0.0,CID1021967,CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1
+0.0,,0.0,,,0.0,,,,,,0.0,,,,,,CID653611,CCC(C)(C)NC(=O)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
+,,,,0.0,0.0,,,,,,,,,,,,CID652256,CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN4CCCC4C3)cc2)CC1
+,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,CID2983576,CCNC(=O)CC1C(=O)N(c2ccccc2)C(=O)N1CCC(C)C
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID664175,COc1cc2c(C(=O)N3CCN(C)CC3)c(C)n(C)c2cc1Br
+0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,CID954212,COc1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID1124495,CN1CCN(CC(=O)N(Cc2c(C#N)c3ccccc3n2C)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID774079,NC(=O)C1CCN(C(=O)c2ccccc2F)CC1
+,,,,,0.0,,,,,,,,,,,,CID779381,Cc1cc(C)nc(SCC(=O)c2cccs2)n1
+,,0.0,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,CID3240355,CC(C)(C)n1nc2c(c1NC(=O)COc1ccc(Cl)cc1)CSC2
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2999183,Cn1nnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID827925,Cn1c(=O)n(/N=C/c2ccccc2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID5399007,Cc1cc(C)c2c(=O)nc(SCC(=O)N3CCOCC3)[nH]c2n1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID746928,CN(C)c1ccnc(NCc2ccccc2)c1C#N
+,,0.0,,0.0,,,,,,,0.0,,,,,,CID1105044,COc1ccccc1N1CCN(C(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID6465663,COc1ccc(NC(=O)Nc2ccc(CC(=O)O)cc2)cc1
+0.0,,,,,,,0.0,,0.0,,0.0,0.0,,,,,CID654849,CCOc1ccc(-c2nnn(CC(=O)Nc3cccc(OC)c3)n2)cc1OCC
+,,,,,,,,,,,,,0.0,,,,CID2335922,Cc1ccc(Cl)cc1NC(=O)COC(=O)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID947342,Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1
+,,,,0.0,,,,,,,,,,,,,CID667219,CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1
+,,,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,,CID651088,CCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(Cl)cc1)C1CCCC1
+,,,,,0.0,,0.0,,,,,,,,,,CID5389475,COc1cccc(C2C=C(c3ccc(OC)cc3OC)N=C3N=NNN32)c1
+0.0,,,,,0.0,,,,,,,,,,,,CID663568,CCC(C)n1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID2334933,O=C(COC(=O)CSc1ccc2ccccc2c1Br)NC1CC1
+,,,,,,0.0,,,,,,,,,,,CID664534,Cc1ccc(C(=O)NCCCNCCCNC(=O)c2ccc(C)nc2)cn1
+,,,,0.0,,,,,,,,,,,,,CID662603,Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1
+,0.0,,0.0,0.0,,,,0.0,,,,,,,,,CID1509786,Cc1cc(C)n(-c2nc3ccccc3n3nnnc23)n1
+,,,0.0,,,,,0.0,,,0.0,,,,,,CID731812,CC(C)=CC(=O)Nc1ccccc1C(N)=O
+0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,CID664877,COc1ccc(N2CCN(c3oc(-c4ccc(OC)c(OC)c4)nc3C#N)CC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5134532,CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(F)cc1)C2
+,,,,,,,0.0,,,,,0.0,,,,,CID3590647,O=C(O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,,,,0.0,,,,,,,,,CID5711666,CC1=C(C(N)=O)C(c2ccc(Cl)cc2Cl)N2NC=NC2=N1
+,,0.0,0.0,,,,,0.0,0.0,,,,,,,,CID650861,CC1(C(=O)O)CCC(C(=O)N2CCOCC2)C1(C)C
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,CID665458,Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCCOc2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID6105300,Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)c(C)c1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID646116,O=C(O)c1cc2ccccc2n1-c1ccccc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID886941,COc1ccccc1/C=C/C(=O)N1CCOCC1
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID2958417,O=C(Nc1nnc(C2CCCO2)s1)c1cccs1
+,,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,CID654357,CC(C)C(OC(=O)c1cccs1)C(=O)NCc1cccs1
+0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,0.0,,CID649956,CCCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID1482609,Cc1nn2c(-c3ccccn3)ccnc2c1Br
+,0.0,0.0,0.0,,,,,0.0,,,,,,,,,CID2999659,Cc1cc(NC(c2cccnc2)c2c(C)[nH]c3ccccc23)no1
+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID652453,CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2276112,CCCCC1(C)OC(=O)C(=Cc2ccc(N(CC)CC)cc2)C(=O)O1
+,,,,,0.0,,,,,,,,,,,,CID870176,Cc1cc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1
+,,,,,0.0,,,,,0.0,0.0,,,0.0,,,CID998877,Cc1cc(C)c2c(n1)sc1c(=O)n(Cc3ccccc3Cl)nnc12
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID5309270,CCN(Cc1ccccc1)C(=O)Cn1cc2c(n1)CCCC2
+,,,,,,,,,,,0.0,,,0.0,,,CID1226441,Cc1ccc(-c2cc(C(=O)N/N=C/c3cnn(C)c3C)c3ccccc3n2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID3123320,Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)O)n2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2510967,CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,,0.0,,,CID795024,CC(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1210778,O=C(CNS(=O)(=O)c1ccc(Br)cc1)N1CCOCC1
+0.0,,,,0.0,,,,,,,,0.0,,0.0,,0.0,CID645171,COc1ccccc1OCc1nnc(SCC(=O)c2cc(Cl)ccc2OC)o1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID648650,CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(F)cc3)o2)sc(C(C)=O)c1C
+,,,,,,,,,,,,,,0.0,,,CID5031375,CCOc1cc(C2C3=C(CCCC3=O)Nc3ccc4ncccc4c32)ccc1O
+,,0.0,,,,,0.0,,,,,,,,,,CID3237886,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCCC2)C3C1=O
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID3239004,Cn1/c(=N/C(=O)CSCC(=O)N2CCCCC2)sc2ccccc21
+,,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,CID767690,O=C(O)c1cccc(S(=O)(=O)N2CCCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID1169035,COc1ccccc1NC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID2763914,COC(=O)C1CCN(c2ccc(Cl)nn2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1442464,CC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
+,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,CID2179503,COCc1nnc(NC(=O)CCc2ccccc2)s1
+,,,,,,,,,,0.0,,,,,0.0,,CID5308206,Cc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1
+,,,0.0,,,,,,,,0.0,0.0,,,,0.0,CID654157,Cn1c(C(=O)N2CCCc3ccccc32)cc2sccc21
+,,,0.0,,,,,,,,,,,,,,CID589480,CC(=O)Nc1cnc2ccccc2n1
+0.0,,,,,,,,,,0.0,0.0,0.0,,,,0.0,CID660522,CC(C)OC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
+,,,,,,,0.0,,,,0.0,,,,0.0,0.0,CID3148960,CC1(C)CCCC2=C1CC1C(=O)N(O)C(=O)C1C2
+,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID559920,CCOc1ccc(C(=O)NCCCN(CC)CC)cc1
+,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,CID666974,Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccncc3)cc2c1
+,0.0,,0.0,,,,0.0,0.0,,,,,,0.0,,,CID655869,CCOC(=O)c1cc2occc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID665678,COc1ccc(CCn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)cc1
+0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID661313,Cc1cc(C)c(C#N)c(Nc2ccccc2Cl)n1
+,,,,,,,,,,0.0,,,,,,,CID2998491,Cc1cc(NC(=O)CN2C(=O)C3CC=CCC3C2=O)no1
+,,,,0.0,,,,,,,,,,,,,CID3242061,NC(=O)C1(N2CCCCC2)CCN(C(=O)c2cccn3c(=O)c4cc(Cl)ccc4nc23)CC1
+,0.0,,,,,,,,,,,,,,,,CID3242463,COc1ccc(-n2ncc3c(N4CCCc5ccccc54)ncnc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID1591371,CCCCNC(=O)/C=C/c1ccc(OC)c(Br)c1
+0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,CID644830,CCOc1cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(OCC)cc1-n1cnnn1
+,,,,,,,,,,,,,,0.0,,,CID3434958,CCCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O
+,0.0,,0.0,,,1.0,,,,,,,,,,,CID3241170,Nc1c(C(=O)NCc2ccco2)nnn1-c1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3687615,CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(c1=O)SC(C)C2
+,0.0,,,,,,,,0.0,,,,0.0,,,,CID771649,COc1ccc(Cl)c(NCCC(=O)O)c1
+,,,0.0,,,,,,,,,,,,,,CID1340783,O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID709882,CN(C(=O)Oc1ccc(Cl)c2cccnc12)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID893042,CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(N)cc1
+0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,CID667163,Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)OC(C)C)cc1
+0.0,,,,,,,0.0,,0.0,,,,,,,,CID2217162,O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)on1
+,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,CID700539,COc1ccccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
+,,,,,0.0,,,0.0,,,,,,,,,CID777341,O=C(CN1CCCCC1)N1c2ccccc2CCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID984844,O=C(CSc1ccc2ccccc2n1)N1CCC(c2noc3ccc(F)cc23)CC1
+,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,CID652674,CCn1c(COc2ccccc2OC)nnc1SCC#N
+,,,,,,,,,,,,,,,0.0,0.0,CID3243444,Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cl
+0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,,,CID3236133,COc1ccc(NC(=O)N(C2CCCCC2)C(C)c2cccnc2)c(OC)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID683998,COC(=O)CCC(=O)Nc1cccc(Br)c1
+,,0.0,,,,,,,,,,0.0,,,,,CID1263478,O=C1c2ccncc2C(=O)N1C1CCCCC1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID746058,COc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1
+,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0,CID1339819,O=C(Cc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2191625,Cc1cccc(NC(=O)/C(=C\c2ccco2)NC(=O)c2cccs2)c1
+,,,0.0,,,,,,,,,,,,,,CID2229604,O=C(O)c1ccc2c(c1)C(=O)N(c1n[nH]c(-c3ccccc3)n1)C2=O
+,,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,CID2594257,CCN1CCc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2C1
+,,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID665143,COC(=O)c1ccccc1NC(=O)N1CSCC1C(=O)OC
+0.0,,,,,,,,0.0,0.0,,,,0.0,,,,CID2166338,CCOc1ccc(OCc2ccc(C(=O)NCc3ccncc3)o2)cc1
+,,,,,,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID973587,COc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID5389576,CC(NCCC1=CCCCC1)=C1C(=O)N(C)C(=O)N(C)C1=O
+,0.0,0.0,,,,,,0.0,,,,,,0.0,,,CID3238887,CC(C)c1cc(C(=O)NCc2cccnc2)no1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID3236680,COc1ccc2c(c1)CCc1c(C(=O)N3CCOCC3)noc1-2
+,,,,,0.0,,,,,,,,,0.0,,,CID3548231,CC(C)c1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID935646,O=C(OCc1ccccc1Cl)c1ccc(-n2cnnc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID231403,O=C1NCCN1Cc1ccccc1
+,,,,,0.0,,,,0.0,,,,,,,,CID664807,COC(=O)C(NC(=O)NC(C)CCc1ccccc1)C(C)C
+,,,,,,,,,,,,,,0.0,,,CID3217413,CCOC(=O)C1(C)NC(c2ccco2)C2C(=O)N(CC)C(=O)C21
+,,,,,,,,,,,,,0.0,0.0,,,CID1910276,CN(C)c1ccc(/N=C/c2nc(-c3ccccc3)oc2OC(=O)c2ccccc2)cc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID755331,N#Cc1cn(Cc2ccccc2)c2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID3116656,O=C(CNC(=O)c1cccs1)OCC(=O)c1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,,CID3403165,CCOc1cc2c(cc1OCC)C(c1ccc(O)c(OC)c1)NCC2
+,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,CID1909832,CC(C)(C)C(=O)/C=C(\N)c1ccncc1
+,,,,,,0.0,,0.0,,,,,,,,,CID744370,CCOC(=O)/C=C(\C)Sc1cc(=O)oc2ccccc12
+0.0,,,,,,,,,,,,,,,,,CID2862215,CC(=O)C1=C(C)NC(SCC(=O)c2cc(Cl)ccc2Cl)=C(C#N)C1c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2480906,Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)S(C)(=O)=O)cc1
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID664166,COc1ccc(CCCc2nnc(SCC(=O)Nc3ncc(C)s3)o2)cc1
+,,,,,,,,,,,,0.0,,,,,CID1636776,O=C1C(=CNCCN2CCOCC2)C(=O)c2ccccc21
+,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,0.0,0.0,CID756298,CC(C)(C)n1nc2c(c1NC(=O)c1ccccc1F)CS(=O)C2
+,,,,,,0.0,,,0.0,0.0,,,,,0.0,,CID886966,CC(C)COc1ccc(C(=O)NCc2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3210614,O=C(NC1CCCCC1)C(c1ccc2ncccc2c1)N(Cc1ccc(F)cc1)C(=O)c1ccc2c(c1)OCCO2
+,,,,0.0,,,0.0,0.0,,,,,,,0.0,,CID665927,COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccncc2)cc1OC
+0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,,,CID5307519,Cc1ccccc1C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3
+,,,0.0,,,,,,,,,,,,,,CID652101,COC(=O)C1(CO)NC(c2cccs2)C2C(=O)N(c3ccccc3)C(=O)C21
+,,0.0,,,,,,,0.0,,,,,0.0,,,CID644879,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(c2nnnn2-c2ccccc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID2134226,COc1ccc(C2=NCN(c3ccc(C)cc3)C(=S)N2)cc1
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID2591156,Cc1cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cs2)no1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID2978114,Cc1ccc(SC(C)c2nc(-c3ccncc3)no2)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID1000603,COc1cc(C(=O)Nc2ccc3c(c2)OCCO3)ccc1OC(F)F
+,,,,,,,,,,,,,0.0,,,,CID4136404,O=C(O)c1cccnc1SCc1cccc(Cl)c1
+0.0,,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,CID650857,O=C(CSc1nc2ccccc2n1CC(=O)N1CCCC1)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID5310796,O=C(c1cccc2c1-c1ccccc1/C2=N\O)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID896285,Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID1471874,Cc1noc(C)c1CS(=O)(=O)Cc1ccc(Cl)cc1
+,,,0.0,,0.0,,,,,,,,,,0.0,,CID2928717,O=CN(CCN(C=O)CN1CCCCC1)CN1CCCCC1
+,,,,0.0,,,,0.0,,,,,,,,,CID934505,CSc1nsc(SCC(=O)N2CCc3ccccc32)n1
+,,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,CID2086366,Cc1sc2ncnc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID5307957,Clc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID2733401,COc1ccc(C(=O)O)cc1F
+,,,,,,,,0.0,,0.0,,,,,,,CID1520654,Brc1ccc(-c2noc(COc3ccc4ccccc4c3)n2)o1
+,,,,,,,0.0,,,,,,,,,,CID4057143,CCC(=O)N1C(C(=O)N2CCCC2)CSC1c1ccc(OC)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID1093372,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1Cl
+,,,,,,0.0,,,,,,,,,0.0,,CID664707,CCOc1ccc(-c2[nH]nc3c2C(c2cccnc2)C(C#N)=C(N)O3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2947684,CCC(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
+,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,,CID2999897,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)C1
+,,,,,0.0,,,,,,,,0.0,,,,CID11957302,CC(NC(=O)Cn1cncn1)c1ccccc1
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+,0.0,,,,,,,0.0,0.0,,,,,,,,CID1038782,COc1cccc2cc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)c(=O)oc12
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+0.0,0.0,,,,0.0,,0.0,,,,,,,,,,CID646025,CCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1347156,O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4366681,CN1c2ccccc2C(C)(C)C12C=Nc1c(cc(N3CCOCC3)c3ccccc13)O2
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID1749332,CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)CCC3=O)cc21
+,,,,,,,,,,,,,,0.0,,,CID2207339,Cc1c(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cccc1[N+](=O)[O-]
+,,,,0.0,,,,,,,0.0,,,,,,CID2999938,CSCCC(NC(=O)c1ccco1)C(=O)OC(C)C(=O)NC(=O)NC1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID3244856,O=c1cc(Nc2ccc3c(c2)OCCO3)[nH]c(=O)n1-c1ccc(Br)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2160329,Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CS(=O)C3)cc1
+,,,,0.0,,,0.0,,0.0,,0.0,,,,,,CID3237682,CCOc1cc(C2C(C(=O)OC)=C(C)N=C3SC(C)C(=O)N32)ccc1OC(C)=O
+,,,,,0.0,,,,,,,,,,,,CID834592,CSc1ccc(CNc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2876784,CCOC(=O)c1ccc(N2C(=O)CSC23C(=O)Nc2ccccc23)cc1
+,,,,,,,,,,0.0,,,,,,,CID3190067,CCC(C(=O)NC(C)(C)C)N(C(=O)Cn1nnc(-c2cccs2)n1)c1cnc2ccccc2c1
+,,,,,,,0.0,,,,,0.0,,,,,CID5308089,CCOC(=O)CN1Cc2cccc(C(=O)O)c2C1=O
+,,,,,,,,,,,0.0,,,,,,CID875407,Cn1c(-c2ccc(C=O)s2)nc2c3ccccc3c3ccccc3c21
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID1715263,CCCCC(=O)Nc1nnc(C)s1
+,,,,,,,,,,,0.0,,,,,,CID1482732,O=C(NCCc1ccccn1)c1cc(C(=O)C2CCCCC2)c[nH]1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,,CID2296299,C=CCNC(=O)C1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,CID644805,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3)cc2)no1
+0.0,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,0.0,CID547407,CN1CC2(C(=O)c3ccccc3)CN(C)CC(C(=O)c3ccccc3)(C1)C2
+,,,,,0.0,,,,,,,,,,,,CID5308577,CC(CCc1ccco1)NC(=O)Cn1nc(Cc2ccncc2)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID3229130,COc1ccccc1C(c1nnnn1C(C)(C)C)N1CCCc2ccccc21
+,,,,,0.0,,,0.0,,,,,,0.0,,,CID1437821,COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C)cc3)CC2)cc1
+,,,,,,,,,,0.0,,,,,0.0,,CID787198,Cc1cccc(CN2CCN(C(=O)c3ccccc3F)CC2)c1
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID2369923,O=C(COC(=O)c1ccc[nH]c1=O)NC1CCCC1
+,,,,,,,,,,0.0,0.0,0.0,,,0.0,,CID650484,CC(C)C(c1nnnn1Cc1ccccc1)N(CCCO)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
+,,,,,,,,,,,0.0,,,,,,CID727351,Cc1nc(=S)c2ccccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2512509,CC(=O)c1cccc(S(=O)(=O)N2CCC(C(=O)O)CC2)c1
+,0.0,0.0,,,,,,,0.0,,,0.0,,,,,CID3237316,CCn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21
+,0.0,,,,,0.0,,,,,,,,0.0,0.0,,CID3242147,COc1nc(NCCc2ccc(OC)c(OC)c2)nc(NC(C)(C)CO)n1
+,,,,,,,,,,,,,,0.0,,,CID9548166,COC(=O)C(Cc1ccccc1)NC(=O)OC1C(=O)c2ccc(OC)cc2OC1c1ccc2c(c1)OCO2
+,0.0,,,,,,,0.0,,,,,,0.0,,,CID3243243,COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3nnc(C)s3)c3ccccc32)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID5310866,CN(C)S(=O)(=O)c1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCCCC3)C2c2cccnc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID645747,OC1(c2cccc(F)c2)CCN(Cc2ccncc2)CC1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3244349,NC(=O)c1cc(S(=O)(=O)NC2CCCCC2)co1
+,,,,,,,0.0,0.0,,,,,0.0,,0.0,,CID561426,O=C(O)c1ccccc1S(=O)(=O)Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3029922,Cc1ccc(-c2ccccc2)n1-c1ccc(O)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID226199,O=C(O)c1ccc(-c2ccccc2)[nH]1
+0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,CID653157,Cn1c(C(=O)OC(C(=O)NC2CCCCC2)c2ccncc2)cc2sccc21
+,,,,,0.0,,,,,,,,,,,,CID258996,COc1ccc(C(=S)N2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2368280,Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(Cc3ccccc3)c2)c1
+,,,,,,,,,,0.0,,,,,,,CID5389927,Cc1c(O)c(CN2CCCC2)cc2c3c(c(=O)oc12)CCCC3
+,,,,,,,,,0.0,,,,,,,,CID1296309,Cc1ccc(C(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID2966106,O=[N+]1C=C(c2ccc(Oc3ccccc3)cc2)N([O-])C2CCCCC21
+,0.0,0.0,,,,,,0.0,0.0,,,,,,,,CID658662,CCN1CCc2c(C#N)c(NCc3ccccc3)nc(NCCO)c2C1
+,,,,,,,,,,0.0,,,0.0,,,,CID2085173,Cc1nc2ccc(NC(=O)c3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)cc2s1
+,,,,,,,,0.0,,,,,,,,,CID659593,CCC(NC(=O)NCCCn1ccnc1)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,0.0,,,,,,,,CID707278,COC(=O)c1oc2ccc(Cl)cc2c1-n1cccc1
+,0.0,,,,,,,,,,,,,,,,CID648387,Fc1ccc2c(c1)nnn2C1CCN(Cc2ccccc2)CC1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID2117682,CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)Nc1ccccc1OC
+,,,,,,,0.0,,,,,,,,,,CID5389227,O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/NCc1ccc2c(c1)OCO2
+,,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID1242007,CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)O)c3)cc12
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID3238603,CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCc4ccccc4C3)ccc21
+,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID757234,COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID3245012,CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)O
+,,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID2925127,NC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2O)c2ccccc21
+,,,,0.0,,,,,,,,0.0,,,,,CID3238379,Cn1c(=O)cc(SCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID657436,Cc1[nH]nc2c1C(=O)CCC2
+0.0,,,,,,,,,,,,,,,,,CID5307349,CCOC(=O)N1CCC(Nc2c(N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)c2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID2441503,O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2941124,CCC(=O)Nc1cc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)ccc1N1CCOCC1
+0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID1144627,Cc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID3645626,O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)NC1CCS(=O)(=O)C1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,CID974848,Nc1nncn1C(=O)CCCN1C(=O)c2ccccc2C1=O
+,,,,,,,0.0,,0.0,,,,,,,,CID2836660,CCOC(=O)C(C)c1n[nH]c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,0.0,,,CID833601,Cc1cccc(NC(=S)NC(=O)CCc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID733624,Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,,CID651765,O=C(CN(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
+,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,CID1312458,CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccccc1
+,,0.0,,,0.0,,,,,,,,,,,,CID657575,O=C(N1CCN(CCO)CC1)N1c2ccccc2C=Cc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1351404,Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)c2ccccc2)c1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID795627,O=C(NCc1cccnc1)c1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID2369859,CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)c(Cl)c1
+,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,CID666129,O=C(Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1)c1ccco1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID6324548,Cc1cc(NCc2ccco2)[nH]c2cc(=O)ccc1-2
+,,,,,,,0.0,,,0.0,,,,,,,CID1255551,O=C1CSC2=NCN(c3ccc4c(c3)OCO4)CN12
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,,CID1303417,COc1ccc(N2CCN(C(=O)COc3ccc4ccccc4c3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1281358,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID2158911,COc1ccccc1-c1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)o1
+,,,,,,,0.0,,,0.0,,,,,,,CID650961,O=C(OC(C(=O)NCC1CCCO1)c1ccccc1F)c1ccco1
+,,,,,,,,,,,,,,,,0.0,CID2085680,Cc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)no1
+,,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID581852,O=C(CCc1ccccc1)Nc1ccc(Cl)cn1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID674546,COc1ccccc1OCC(=O)N1CCNC1=O
+,,,,,,,,,,,,,,0.0,,,CID2858509,O=C1C2CC=CCC2C(=O)N1c1ccc(Cc2ccncc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID742133,Cn1cnc2c1c(=O)n(Cc1c(Cl)cccc1Cl)c(=O)n2C
+,,,,,,0.0,,,,,,,,,,,CID5389824,O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCOCC3)c(O)ccc12
+,,,,,,,,,,,,,0.0,0.0,,,CID2836626,Cc1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1
+,,,,,,,,,,,,0.0,,,,,CID648035,Cc1cc(NC(=O)Cn2nc(-c3ccccc3F)ccc2=O)ccc1-n1cnnn1
+,,,,,,,,,,,,,0.0,,,,CID1728325,Cc1ccc(C(=O)NC(=S)NNS(=O)(=O)c2ccccc2)cc1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID661113,COC(=O)c1cc(Br)c(=O)n(-c2ccccn2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2066742,Cc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2C)cc1C
+0.0,,,,,,,0.0,,,,,,,,,,CID5308613,O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,,0.0,,,,,CID2999438,CCN(C(=O)COC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O)C1CCS(=O)(=O)C1
+,,,,,,,,0.0,,,,,,,,,CID598594,CCOC(=O)N1CCN(CC(=O)Nc2ccc(C)cc2)CC1
+,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,CID3243293,COc1cc(C(=O)NCc2nnc(SCC(=O)NCc3ccccc3)o2)cc(OC)c1OC
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID971167,O=C(NCc1ccccn1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID3224567,O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)Nc1ccc(C(=O)NC2CC2)cc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID853224,O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1
+,,,,,,,,,,,,,,,0.0,,CID666367,COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3F)CC2)n1
+,,,,,,,,,,,,,,,,0.0,CID3243452,CCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,CID656163,Cc1sc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C#N)c1C
+,,,,,,,,,,,,,,0.0,,,CID2388776,Cc1nnc(SCC(=O)Nc2ccc(N(C)C)cc2)n(N)c1=O
+,,,,,,,,,,,,,,,,0.0,CID2211956,O=C(Nc1ccncc1)Nc1ccc(F)cc1F
+,,0.0,,,,,0.0,,,,,,,,,,CID5310628,CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1O
+,,,0.0,,,0.0,,0.0,,,,,,,0.0,,CID650727,Cc1cc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)no1
+,,,,,,,,,,,,,0.0,,,,CID901743,CCO/C(C)=C1\N=C(c2ccc(Cl)cc2)OC1=O
+,,,,,,,,,,,,,0.0,,,,CID1476508,O=C(O)c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID648488,Clc1ccc(Cn2nnc(-c3ccc(N4CCOCC4)cc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16190272,CC(=O)Nc1ccc2nc(CN3CCN(Cc4ccc(F)cc4)C(CCO)C3)ccc2c1
+,,,,,0.0,,,,,,,,,0.0,,,CID3624387,Cc1ccc(CSc2nc3ccccc3c(=O)n2CCCC(=O)NCc2ccco2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID5060198,CCOC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1
+,,,,,0.0,,,,,0.0,,,,,,,CID2433328,CCOC(=O)/C=C1\SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID745957,N#Cc1c(-c2ccc3c(c2)OCO3)csc1N
+0.0,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,,CID975599,Cn1ccnc1SCC(=O)Nc1ccc2c(c1)COC2=O
+,,,,0.0,,,,,,,,,,,0.0,,CID2963161,Cc1ccc(N2CC(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)CC2=O)cc1
+0.0,0.0,,,,,,,,,,0.0,0.0,,,,,CID664401,N#Cc1nc(Cc2ccccc2)oc1NCc1cccnc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2998744,Cc1cc(NC(=O)COC(=O)C2COc3ccccc3O2)no1
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID651619,COc1ccc(Nc2nc(N)nc(CN3CCOCC3)n2)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3241116,Cc1nc2sc(C(c3ccco3)N3CCC4(CC3)OCCO4)c(O)n2n1
+,0.0,,,0.0,,,,,,,0.0,,,,0.0,,CID3241650,Cc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
+,,,,,,0.0,,,0.0,,,0.0,,0.0,,,CID2436481,CCCNC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5389231,COC(=O)c1ccc(C2/C(=C(/O)c3ccc(OC)cc3)C(=O)C(=O)N2CC2CCCO2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1862450,Cc1occc1-c1nnc(SCC(=O)Nc2nc3ccccc3s2)o1
+,,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,CID2956626,CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)cc3C)cc12
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID3243678,Cc1ccc(C2(C(F)(F)F)NC(=O)N3CCN=C3S2)cc1
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID5307789,Cc1cc(Nc2ccccc2Br)n2nc(C)nc2n1
+,,,,,,,,,,0.0,,,,0.0,,,CID2558141,COc1cc(CC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc(OC)c1OC
+,0.0,,,,,,,,,,,,,0.0,0.0,,CID862116,O=C(c1cnccn1)N1CCc2ccccc21
+0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,,,CID1247474,Cc1onc(-c2ccccc2)c1C(=O)N1CCN(CCc2ccccc2)CC1
+0.0,,,,,0.0,,,,0.0,,,,,,0.0,,CID3245357,O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2nnc(N3CCCC3=O)s2)CC1
+,,,,,,0.0,,,,,,,,,,,CID647690,CC1=C(C(=O)N2CCOCC2)C(c2ccccc2F)C2=C(CC(C)(C)CC2=O)N1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID654990,CCOc1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccoc1C
+,,,,,0.0,,,,,,,,,,,,CID1570218,O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc2ccccc2oc1=O
+,,0.0,0.0,0.0,,,0.0,0.0,0.0,0.0,,0.0,,,,,CID666757,COc1cc(C(=O)Nc2c(-c3ccccn3)c(=O)c3ccccc3n2C)cc(OC)c1OC
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2766903,C=CCOc1ccc(Br)cc1/C=N/O
+,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,0.0,0.0,,CID1247264,COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CCCCC3)CC2)cc1OC
+,,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,CID654046,COc1ccc(N2CC(C(=O)OCC(=O)c3cccc(OC)c3)CC2=O)cc1
+,,,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,CID1122342,Cc1cccc(NC(=O)c2ccccc2O)c1C
+,,,,,,,,,,,0.0,,,,0.0,,CID5771466,COc1ccc(OC)c(C2C(C(N)=O)=C(C)N=C3N=C(c4cccc(Cl)c4)NN32)c1
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+,0.0,,,,,,,,,,,,,,,,CID652374,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)CC1
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+,0.0,,0.0,,,,,,,,,,,,,,CID3235820,CCCCNC(=O)CCSc1nc2nc(C)cc(C)n2n1
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+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2998534,CN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1
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+,0.0,,,0.0,,,,,,,,,,,,,CID3245706,O=C(CSc1nc2ccsc2c(=O)n1Cc1ccccc1)NCc1ccco1
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+,,,,,,,,,0.0,,0.0,,,,,,CID851338,Cc1cccc(NC(=O)CCSc2nncn2C)c1
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+,,,,,,,,0.0,,,,,,,,,CID2212821,Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2ccccc2o1
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+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID2997780,C1=CCC(/C=N/n2cnnc2)CC1
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+,,,,,0.0,,,,,,,,,,,,CID800183,Cc1cccc(NC(=S)NCc2cccs2)c1C
+,0.0,,,,,,0.0,,,,0.0,,,,,0.0,CID3239226,O=c1[nH]ncc2c3ccccc3n(Cc3ccc(F)cc3)c12
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+,,,,,,,,,,,,,0.0,,,,CID962040,O=C(CCC(=O)OCc1ccc(Cl)cc1)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3242189,CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1
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+,0.0,,0.0,,0.0,,,,,,,,,,,,CID3242973,C=CCNC(=O)c1oc2ccc(S(=O)(=O)N(CC)CC)cc2c1C
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+,,,,,,,,,,,0.0,,,,0.0,,CID651713,CC(C)(C)NC(=O)C(c1cccs1)N(CC1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1
+,,,0.0,,,,,,,,,,,,,,CID655377,CN1C(=O)N(C)C2(CC1(C)C)CC(C)(C)N(C)C(=O)N2C
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+0.0,,,,,,,,,,,0.0,,,,0.0,,CID5307583,COc1cccc(C2CC(c3ccccc3Cl)N=C3N=CNN32)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID690681,O=C(O)c1ccc(CSCc2ccco2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID1526572,Cc1cc(NC(=O)C(C)(C)C)no1
+0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,0.0,CID866671,COc1ccc(NC(=O)CSc2nccn2-c2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID865353,Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID2830273,CC(=O)NC(O)C(=O)c1ccccc1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID661054,Cc1c(NC(=O)CSC2=C(C#N)C(c3ccccc3F)CC(=O)N2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,0.0,,CID2917521,CN(C)c1ccc(C2C3C(=O)NC(=O)C3ON2c2ccc(Cl)cc2)cc1
+0.0,,,,,,,,0.0,,,0.0,0.0,,,,,CID649106,COc1cc(OC)cc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2ccno2)c1
+,,,,,,,,,,,,,,0.0,,,CID1163120,O=C(N/C(=C/C=C/c1ccccc1)C(=O)N1CCOCC1)c1ccccc1Br
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID644390,CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2Cl)CC1
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,,CID755971,CCOc1ccc(CNc2ccc(N3CCCC3)cc2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID800583,COc1ccc(CNC(=S)Nc2cc(C)cc(C)c2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3242133,CCn1c(=O)cc(OCC(=O)N2CCCCCC2)c2ccccc21
+,,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,,CID2219889,CCCC(=O)Nc1ccccc1NC(=O)CN(C)S(=O)(=O)c1ccccc1
+,,,,,0.0,,0.0,0.0,,,,0.0,,,,,CID3243389,CCOC(=O)C1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID3235722,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c(OC)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID909832,Cc1ccc2nc(N3CCCCC3)c(C=O)c(=O)n2c1
+,,,,,,0.0,,,,,,,0.0,,,,CID658875,Clc1ccc(COc2ccccn2)c(Cl)c1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID3240642,CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(C)c3ccccc23)CC1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID645397,Cc1cc2cc(CN(CC3CCCO3)C(=O)c3cnccn3)c(=O)[nH]c2cc1C
+,,,,,,,,,,,,,,0.0,,,CID6466831,COC(=O)c1ccccc1NC(=O)NC1CCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID690671,Cn1cnnc1SCc1nc(N)nc(Nc2ccccc2)n1
+0.0,,,0.0,0.0,,,,,0.0,,,,,,,,CID652112,CCC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1csnn1)c1cccc(F)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID2998070,COc1cc(C(=O)OCC(=O)c2c[nH]c3ccccc23)ccc1OCC(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1489460,CC1(C)OC(=O)C(=CSc2ccc(C(C)(C)C)cc2)C(=O)O1
+,,,,,,,,,,,,,0.0,,,,CID6018908,CC(=O)C1=NN(c2ccccc2)C2(S1)S/C(=C\c1ccccc1)C(=O)N2c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID3243830,CSC1=NCCN1C(=O)c1c(F)cccc1F
+,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID653922,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2CCO)c(OC)c1
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+,,,,,,,,0.0,,,,,0.0,0.0,,,CID2916046,Cc1cccc(N2C(=O)CC(Sc3nnc(C)s3)C2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID5308079,O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2553847,Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)N1c2ccccc2NC(=O)C1(C)C
+,,,,,,,,0.0,,0.0,,,,,,,CID898185,CCc1cccc(NC(=O)COc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1741763,O=C(NCCCN1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1
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+,,,,0.0,,0.0,,,,,,,,,,,CID2963668,Cc1ccc(C(=O)NC2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID5389325,CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN3CCOCC3)C2c2ccncc2)cc1
+0.0,,0.0,,,,,,0.0,,,,,0.0,,,0.0,CID3238995,CCOC(=O)c1[nH]c(C)c(C(=O)NCC2CCCO2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID2386859,O=C(COC(=O)Cn1nnc2ccccc21)Nc1ccccc1Br
+,,,,,,,,,,,,,,,0.0,,CID894694,CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)C)c1
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID3240265,O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
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+,,,,,,,,0.0,,,,,,0.0,,,CID4362772,O=C(CO/N=C/c1ccccc1)N1c2ccccc2Oc2ccccc21
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+,,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID1037128,CCOC(=O)c1c(NC(=O)c2cccs2)sc2c1CCN(C(=O)OCC)C2
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+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID646836,COc1ccccc1-c1nnn(CC#N)n1
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID682580,COC(=O)c1cc(Cl)c(NC(=O)c2ccco2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID1364330,O=C(CN1C(=O)S/C(=C/c2ccccc2F)C1=O)Nc1cccc(O)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1341065,CN(CCC(=O)Nc1ccc(Br)cc1)Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2945189,CCN(CC)CC(=O)Nc1ccc(Oc2ccc(NC(=O)CN(CC)CC)cc2)cc1
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+0.0,,,,,,,,,,,,,0.0,,,,CID574510,Cc1nc(CN2CCN(C(=O)c3ccc(Br)cc3)CC2)cs1
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+,,,,0.0,,,,,0.0,,,,,0.0,,0.0,CID2349149,O=S(=O)(c1cc(F)cc(F)c1)N1CCN(c2ncccn2)CC1
+0.0,,,,0.0,,,,,,,,0.0,,0.0,,,CID1090998,COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
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+,,,,,,,,,,,0.0,,,,,,CID1454456,Cc1ccc(NC2=NCC(=O)N2CCc2ccccc2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID3436414,Cc1sc2ncn(CC(=O)NCC(=O)N(C)C3CCCCC3)c(=O)c2c1C
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID662674,COc1ccc(C(=O)Cn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
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+,0.0,,,,,,,,,,,,,,,,CID3241241,CCOCCn1c(=O)c2c(nc3n2CCN3c2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2951446,O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N(Cc1ccccc1)Cc1ccccc1
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+0.0,,,,,,,,,,,,0.0,,,,,CID3243341,COc1cc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC
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+,,,,,,,,,,,0.0,,,,,,CID973150,COc1cccc(NC(=O)CN2CCC(C)CC2)c1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2116834,COc1cccc(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
+,,,,,,,0.0,,,,,,,,,,CID3237285,O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID730639,CCCC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID3244089,CCN(CC)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID662986,Cc1ccnc(SCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,0.0,,,,,,,,0.0,,,,,,CID822828,CCOC(=O)c1cnn2c(C)cc(-c3ccc(F)cc3)nc12
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID648720,Cc1nn(-c2cc(C)c3ccccc3n2)c2c1CCC2
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID935535,CCOC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID3239900,Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)N1CCC2(CC1)OCCO2
+,,,,,,0.0,,,,,0.0,,,0.0,,0.0,CID2969359,O=C1OCCC1Sc1nc(-c2ccccc2)cs1
+0.0,,,,,,,,,,,,0.0,,,,,CID3236081,O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(=O)N2CCOCC2)ccc1N1CCCCC1
+0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,,CID647702,COc1cc(C(=O)Nc2c(C)cc(C)cc2C)c(-n2cnnn2)cc1OC
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID650810,N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1ccsc1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID649887,Cc1cc(C)n(C(=O)CCC(=O)NCc2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2828200,CSc1nc(=O)n(-c2ccc3ccccc3c2)c(C)c1C(C)=O
+0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,CID648717,Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)cc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID11958873,CCCOc1ccc(N2C(=O)CC(S/C(N)=N/N=C(\C)c3cccs3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1473648,COC(=O)c1nn(-c2ccc(OC)cc2)c(=O)cc1Oc1cccc(Cl)c1
+,,,,,,,,,,,,0.0,,,,,CID655569,Cc1cc(C)nc(N2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)n1
+,,,,0.0,,0.0,,0.0,,,0.0,,,,,,CID2566942,C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3cccs3)c2c1=O
+,,,0.0,,,,,,,,,,,,,,CID2363075,O=C(CCS(=O)(=O)c1ccc(Cl)cc1)OCC(=O)N1CCCCC1
+0.0,,0.0,0.0,,,0.0,,,,0.0,,,,,,,CID2220148,N#Cc1c(NC(=O)CCn2cnc3ccccc3c2=O)oc(-c2ccccc2)c1-c1ccccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID4300483,N#CC(/C(=N/S(=O)(=O)c1cccs1)c1ccccc1)c1nc2ccccc2[nH]1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID652257,O=C(c1ccco1)N1CCC(n2nnc3ccccc32)CC1
+,,,,,,,,0.0,,,,,,,,,CID698501,S=c1nc(-c2ccc(Br)cc2)oc2c1CCCC2
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,,CID2948030,Cn1c(=O)c2cn3c(c2n(C)c1=O)C(c1ccccc1)CC(c1ccccc1)=N3
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3237830,CCOC(=O)N1CCC(NC(=O)c2cc(C(=O)NCc3ccc(F)cc3)ccc2CO)CC1
+,,,,,,,,,,,,,,0.0,,,CID2916857,OCCNc1nc(N2CCCC2)nc(N2CCCC2)n1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID3245011,CCOC(=O)N1CCC(NC(=O)CCc2c(C)nc3ncnn3c2C)CC1
+,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,CID653960,COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2c(C)cccc2C)cc1
+,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,CID2545623,CCCNC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3647020,CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccc(Br)cc1
+,0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,CID930473,Cc1ccc(-c2cc(C)nc3ncnn23)cc1
+,,,,,,,,0.0,,,,,,,,,CID2227866,CC(C)NC(=O)c1ccccc1NC(=O)CS(=O)(=O)Cc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID3136370,CC(NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2)c1ccccc1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID2927222,COc1cc(C(=O)Nc2cc(C)c(OCC(=O)N3CCOCC3)c(C)c2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2847199,CCOC(=O)C1=C(CC)NC2=C(C(=O)CCC2)C1c1ccc(OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID273360,Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID6324555,CCOc1ccc2[nH]cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c2c1
+,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,,CID3240464,O=C(CNS(=O)(=O)c1cccc2nsnc12)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2487512,COc1ccc(CNC(=O)COC(=O)Cc2ccsc2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID852345,CCC(=O)Nc1nc(-c2ccccc2)ns1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,,CID2958945,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC1C(=O)O
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID2562653,CC(NS(=O)(=O)c1ccccc1F)C(=O)OCC(=O)N1CCc2ccccc21
+,,,,,,,,,,,0.0,,,,0.0,,CID663930,COC(=O)C(CCSC)NC(=O)NCc1ccc(S(N)(=O)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID11957203,Cc1ccc(CNc2nc3ccccc3n3cnnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1480654,O=c1c(-c2ccnn2-c2cccc(Cl)c2)cnc2n1CCS2
+,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,CID3238247,COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cnc[nH]4)CC3)sc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1304014,Cc1cccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CCCC4)c1
+0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,CID773424,O=C(Nc1ccc2nsnc2c1)c1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID760888,COc1ccc2nc(C)c3cc(C)oc3c2c1
+,,,,0.0,,,,,0.0,,,,,,,,CID663185,O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccs1)c1cccs1
+,0.0,0.0,,,,,,,0.0,,,,,0.0,,,CID759661,Cc1nc2ccccc2c(=O)n1/N=C/c1ccccn1
+,,,,,,,0.0,,,,,,,,,,CID3241286,Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID3156932,CCc1ccc(N2CC(C(=O)NCc3ccco3)CC2=O)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2999221,CC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCCOC(C)C
+,,,,,,0.0,,,,,,,,,,,CID739097,Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1
+,,,,,,,,0.0,,,,,,,,,CID1326034,COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1521908,Cc1ccsc1/C=C1\SC(=S)N(CC(C)C)C1=O
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID662518,Clc1ccccc1-c1nnc2sc(-c3ccco3)nn12
+,,,,,,,,,,0.0,,,,0.0,,,CID3300777,COc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)C(C)C)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID1765268,Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1C)CCCC3
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID2967884,COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID654317,O=C(O)c1ccccc1C(=O)NCc1cccnc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID665919,CC1(C)CC(=O)C2=C(C1)NC(=O)CC2C(=O)NCc1ccc(F)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID4197620,COc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID794839,S=c1[nH]nc(-c2cccc(Br)c2)o1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID801271,CN(C)c1ccc(NC(=S)c2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID628390,O=[N+]([O-])c1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)s1
+,,,,,,,,,,,0.0,,,,,,CID296041,CCOC(=O)C(=CNc1cccc(N)n1)C(=O)OCC
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID875432,CCc1c(C)c2c(C)[nH]n(-c3ccccc3)c-2nc1=O
+,,,,,,,,,,,0.0,,,,,,CID1490188,FC(F)(F)c1cccc(Cn2nnnc2-c2cc(Cl)cc(Cl)c2)c1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID2999299,C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,,,,CID660535,C=CCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
+,0.0,0.0,,,,,,,,,,,,,,,CID3240366,CCOC(=O)N1CCN(C(=O)c2ccc3nc4cc(Cl)ccc4c(=O)n3c2)CC1
+,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID667121,Cc1cc(C)c2c(CN3CCN(C)CC3)cc(=O)oc2c1
+,,,,,,,,,,,,,,0.0,,,CID5397270,O=c1c(-c2ccc3c(c2)OCCO3)coc2cc(O)cc(O)c12
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+,0.0,,,,,,,,,,,,,,,,CID3000064,CCCCn1c(N)c(N(CCC(C)C)C(=O)COC(=O)c2ccco2)c(=O)[nH]c1=O
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+,,,,,,,,,,,0.0,,,,,,CID7101881,CN(Cc1ccccc1)C(=O)C1CCC(=O)N1Cc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID4879619,CC(=O)NCCC(=O)Nc1cc(F)ccc1C
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+,0.0,,,,,0.0,,,,,,,,,,,CID1256253,Cn1ncc(C#N)c1NC(=O)c1nn2cccnc2c1Cl
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+0.0,,,,,,,0.0,,,,,,,,,,CID2938063,COc1cc2c(cc1OC)C(c1ccccc1)N(C(=O)c1ccco1)CC2
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+,,,,,,,,,,,,,0.0,,,,CID5104085,Cc1nc2c(C(=O)NCc3ccc4c(c3)OCO4)cnn2c(C)c1Cc1ccc(F)cc1Cl
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+,0.0,,,,,,0.0,,0.0,,,,,,,,CID2164243,CCCCOc1ccc(NC(=O)CSc2nnnn2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID1975399,Cc1nc2ccccc2c(=O)n1CCN1CCOCC1
+0.0,,,,,,0.0,,,,,,,,,,,CID2523521,Cc1c(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID665369,CCCCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O
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+,,,,,,,,,,,0.0,,,,,,CID9551615,CN1C(=S)SC(/[N+]([O-])=C\c2ccccc2)C1(C)C
+,,,,,,,,,,,,,,0.0,,,CID2514026,COC(=O)c1c(NC(=O)CSc2nc3nc(C)cc(C)n3n2)sc(C)c1C
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+,,,,,,,,,,,,,,0.0,,,CID2366506,O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID756730,CCN(c1ccc(OC)cc1)c1ncnc2nc[nH]c12
+,,,,,,,,0.0,,,,,,,,,CID1482002,C/C(=N\OC(=O)N(C)C)c1ncc(C(F)(F)F)cc1N1CCOCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1387000,CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(Cc1ccccc1)C3
+,,,,0.0,,,,,,,,,,,,,CID559643,CCOC(=O)c1[nH]c(C(=O)O)c(CCN(CC)CC)c1C
+,,,,,,,,,,,,,,0.0,,,CID9547736,Cn1c(N)c(C(=O)COC(=O)c2cc(C3CC3)nc3ccccc23)c(=O)n(Cc2ccccc2)c1=O
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+,,,,,,,,,,,0.0,,0.0,,,,CID2874370,O=c1nc(N/N=C/c2ccccc2)[nH]c2ccccc12
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID654221,CCS(=O)(=O)N1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID1476944,CC(=O)COc1ncn(-c2ccccc2)n1
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+,,,,,,,,,,,,,,0.0,,,CID2561884,Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1
+,,,,,,,,0.0,,0.0,,,,,,,CID1915472,CCc1nc(OCC(=O)c2ccccc2)c(C#N)c2c1COC(C)(C)C2
+,,,,,,,,0.0,0.0,,,,0.0,,,0.0,CID646058,CCNc1nc(-c2ccc(Cl)cc2)cs1
+,,,,,0.0,,,,,,,,,,,,CID5398488,CCOc1ccc(Nc2[nH]c(=O)sc2C=C2C=CC(=O)C=C2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3241311,CCOC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1
+,,,,,,,,,,,,,0.0,,,,CID1050562,COC(=O)c1c(NC(=O)c2ccccc2)sc(Cc2ccccc2)c1C
+0.0,,,,,,0.0,,,,,,,,,,,CID3245184,COc1ccc(-c2cc(CCCC(=O)NCCc3cc(OC)ccc3OC)no2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1450035,O=C(Nc1cccn(Cc2ccccc2)c1=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2945381,O=C(Nc1ccc([N+](=O)[O-])cc1)c1nc[nH]c1C(=O)Nc1ccc(F)cc1
+,,,0.0,,,,,,,,,,,,,,CID3237627,CCOC(=O)CCCn1nc(C)n2c(cc3sccc32)c1=O
+,,,,,,,,,,,,,,0.0,,,CID4202488,Cc1cc(=O)nc(CCl)[nH]1
+,,,,,,,0.0,,,,,0.0,,,,,CID2077531,Cc1sc2ncnc(NCc3ccco3)c2c1C
+,,0.0,,0.0,,,,,,,,,,,,,CID650516,CCc1ccccc1NC(=O)N1C2CCCC1CC(NC(C)=O)C2
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID779846,CC(C)(C)Nc1c(N)c(=O)oc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID3411886,CCN(CCO)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3
+,,,,,,,,,,,,,,0.0,,,CID3371316,Cc1cc(C(=O)N/N=C/c2ccc(N(C)C)cc2)c2ccccc2n1
+0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,,CID1001344,Cc1cccc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)c1C
+,0.0,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,0.0,CID2226351,COc1cccc(C(=O)N(Cc2nc(-c3ccc(C)cc3)no2)C(C)C)c1
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+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2772052,O=C(O)C1C2C=CC3(CN(C4CCCC4)C(=O)C13)O2
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+,,,0.0,0.0,0.0,,,,,0.0,,,,,,,CID3244444,CCn1cc(C(=O)NCc2ccco2)c(=O)c2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21
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+,0.0,,,,,,,0.0,,,,,,,,,CID3236874,CCCS(=O)(=O)N1CCC(C(=O)NCCCOCC)CC1
+,,,,,,,0.0,,,,,,,,,,CID2827709,Cc1cccc(N2C(=O)CC(N3CCOCC3)C2=O)c1
+,,,,0.0,,,,,,,,0.0,,,,,CID3237522,COC(=O)c1cn(NC(=O)c2cccc(N(C)C)c2)c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID4363979,O=S(=O)(c1ccc(Cl)cc1)c1snnc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2768211,CO/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID5916737,O=C(Nc1ccc(/C=C/c2nc3ccccc3o2)cc1)c1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,,0.0,,,CID2107050,CC(=O)c1ccc(N2CCN(C(=S)Nc3cccc(Cl)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1351262,O=C(Nc1ccccc1)c1ccc(-c2ccccc2Cl)o1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,,CID1328862,Cc1cc(OCC(=O)NCCN2CCOCC2)cc(C)c1Br
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID2953194,CC1CCCCC1NC(=O)CSc1nnc(N)s1
+,,,,,,0.0,,,,,,,0.0,,0.0,,CID5307925,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCC(N3CCCCC3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID4875581,O=C(CCCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2
+,0.0,,,,,,,0.0,0.0,,,0.0,,,,,CID1301937,CCOC(=O)c1c(C#N)c(SCC(=O)Nc2ccc(OC)cc2)nc2c1CN(CC)CC2
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+,0.0,,,,,,,,,,,,,0.0,,,CID3238424,Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
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+,0.0,0.0,0.0,,,,,,,,,,,,,,CID1249242,Cc1ccc(Nc2nc(N)nc(CC#N)n2)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1586661,O=C(N/N=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1cnccn1
+,,,,,,,,,,,,,,0.0,,,CID11958623,CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3cc(Cl)ccc3C)n2)s1
+,,,,,,,,,,0.0,,,,,,,CID1079610,O=C(c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCN(Cc2ccccc2)CC1
+,,,,0.0,,,,,,,,,0.0,,0.0,0.0,CID659660,CCCCOc1ccc(-c2nnc(N)s2)cc1
+,,,0.0,,,0.0,,,,,,,,0.0,0.0,0.0,CID652470,CN(C)c1cccc(-c2nnc(SCCCC#N)o2)c1
+,,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,0.0,CID1077813,CC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2477129,O=C(CCc1nc(=O)c2ccccc2[nH]1)NCc1cccc(Cl)c1
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,,CID867737,Cc1cc(C)n(-c2cc(-c3ccccc3)nc(C)n2)n1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID888955,CN(C)CCSc1nnc2sc3ccccc3n12
+,,,,,,,,0.0,,,0.0,,,,,,CID1082045,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccnc1
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+,,,,,0.0,,,,,,,,,,,,CID2292972,Cc1ccc(NC(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,0.0,,0.0,,,CID5389830,Cc1nc2ccccn2c1/C(O)=C1\C(=O)C(=O)N(CCN(C)C)C1c1cccnc1
+,,,,0.0,,,,,0.0,,,,,0.0,,,CID647455,O=c1ccsn1Cc1ccccc1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,,CID646854,CCn1c(CNc2ccccc2Cl)nnc1SCC(=O)NCc1ccccc1
+0.0,,,0.0,,,,,0.0,,0.0,,0.0,,,,,CID705937,COC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)cc1O
+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID834436,COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccnc1
+,,,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,CID895701,O=C(OCN1C(=O)c2ccccc2C1=O)c1cccs1
+,,0.0,,,,,,,0.0,0.0,,,0.0,,,,CID663504,CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3
+,,,,,,,,,,,,,,0.0,,,CID788456,CCCc1nn(C(=O)c2ccccc2)c2c1C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,0.0,,,,CID2064128,COC(=O)c1cc(C(=O)OC)cc(-n2c(C)cc(C=O)c2C)c1
+,,,,,,,,,,,0.0,,,,0.0,,CID657884,CN1C2C=C3C(C#N)=C(N)C(C#N)(C#N)C(c4ccc(Cl)cc4)C3C1CC2
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+,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0,CID2608481,Cc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(C)o1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID750947,N#Cc1cc2c(=O)n3ccccc3nc2n(CCCn2ccnc2)c1=N
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+,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID648381,CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cccnc1
+,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID2889550,CC(=O)Nc1ccc(N2CCN(C(C)=O)CC2)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID5309571,Cc1cccc(CN2CCC(CNC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)CC2)c1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3241194,Cc1c(C(=O)OC2CCCCC2)[nH]c2c1C(=O)CC(C)(C)C2
+,,,,,0.0,,,,,,0.0,,,,,,CID868191,c1cnc(NC2CCCCCC2)nc1
+,,,,,0.0,,,,,,,,,,,,CID5731269,CCc1nnc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3ccc(C)cc3)cc2)s1
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+,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID970657,CCC(=O)n1nc(-c2ccccc2)nc1NCc1ccccc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID838547,Cc1ccc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)cc1C
+,,0.0,,,,,,,,,,,,,,,CID3235694,CCOC(=O)N1CCN(C(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)noc2C)CC1
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+,,,,,,,,,,,,,0.0,,,,CID2520723,COc1ccc([N+](=O)[O-])cc1NC(=O)CCC(=O)c1cccs1
+,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,CID966833,COC(=O)c1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID4384243,COc1ccc(/C=N/NC(=O)c2ccc3ccccc3c2)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID687659,Cc1n[nH]c(=S)n(/N=C/c2ccccn2)c1=O
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID1290684,c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID2303947,N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID1316451,COc1ccc(C(=O)Nc2ccccc2C(=O)NCCN2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2450368,CCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID660185,O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,,,,,,0.0,,,,,CID3245426,O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)NC2CCCC2)o1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID665455,CCN(CC)C(=O)CSc1ncnc2c1cnn2Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2284838,C=CCc1ccc(OCCCOc2ccc(C)c(C)c2)c(OC)c1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID1240313,CCOc1ccccc1N1CCN(Cc2ccc(OC)c(OC)c2OC)CC1
+,,,,,0.0,,,,,,,,,,,,CID4127214,O=C(c1ccco1)c1cn(Cc2ccccc2)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1352611,C=CCN1C(=O)/C(=C\c2ccc(OC)cc2)S/C1=N\c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1441417,CN1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(F)cc4)nn23)CC1
+,,,,,0.0,0.0,,,,0.0,,,,,,0.0,CID645198,CC1CCCC(C)N1C(=O)CSc1nnc(CSc2ncccn2)n1C
+,,,,,0.0,,,,,,,,,,0.0,,CID5307175,CCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)cc2)oc1C
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID666467,Cc1ccc(-c2nnc3sc(C4COc5ccccc5O4)nn23)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID713015,COc1ccc(Nc2ncccc2C(=O)Nc2ccccc2)cc1
+0.0,,0.0,,,,,,,,,0.0,,,,,0.0,CID1356159,N#Cc1c(/N=C/N2CCCC2)oc(-c2ccccc2)c1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID617529,O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2767910,Cc1ccc(Oc2ncc(-c3ccc(Cl)cc3)cn2)cc1
+,,,,,,,,0.0,,,,,,,,,CID98283,O=C(O)C(O)(c1ccccc1)C1CCCC1
+,,,,,,,0.0,,,,,,,,,,CID664294,COc1ccc(NC(=O)CN2CCC3(O)CCCCC3C2c2ccccc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID591795,N#CC(c1ccc(Cl)cc1)N1CCOCC1
+,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID767435,CCCc1c(C)c2cc(C)ccc2[nH]c1=O
+0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,,CID3240251,Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID661871,CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2411471,CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cc3ccncc3)cc2)cc1
+,,0.0,,0.0,0.0,,,,,,,,,,,0.0,CID655459,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3C)cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID884205,CC(C)=C1SC(N2CCN(c3ccc(Cl)cc3)CC2)=NC1=O
+,,,,,0.0,0.0,,,,,,,,,,,CID2078656,COc1ccc2oc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c(C)c2c1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID652259,CCCn1c(SCC(=O)Nc2nc(C)c(C(=O)OC)s2)nnc1C(C)C
+0.0,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,CID1247372,Cc1occc1C(=O)Nc1cccc(C(=O)NCc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID614207,O=C1C(=Cc2ccco2)C(=O)c2ccccc21
+,,,,,,,,,,,,0.0,,0.0,,,CID5308922,Cc1c(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,0.0,,,,,,,CID3227177,Cc1ccc(C)c2c(SC(C)C(=O)NCc3ccco3)nc(-c3ccccc3)nc12
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID2897699,O=C(NCc1cccnc1)C1COc2ccccc2O1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID3235753,CCOC(=O)N1CCN(C(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)CC1
+0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID1371669,Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)c(C)c1
+,0.0,,,0.0,0.0,,,,,,,0.0,,,0.0,,CID3245345,Cn1c(=O)cc(OCCCC(=O)Nc2ccccn2)c2ccccc21
+,,,,,,,0.0,,,,,,,,,0.0,CID3245922,CCC(NS(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O)C12CC3CC(CC(C3)C1)C2
+,,,,,0.0,,,,,,,,,,,,CID1048732,COc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3ccccc3)cc2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3236802,CN1CCN(c2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)CC1
+,,,,,,,,,,,,,0.0,,,,CID829178,S=C(NCc1ccco1)N/N=C/c1ccccc1Cl
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID718529,CCC(=O)NCCN1CCN(C(=O)CC)CC1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID724942,CCN(CC)C(=O)c1c(NC(=O)c2ccccc2)sc(C)c1C
+,,,,,,0.0,,,0.0,,,,,,,,CID1257106,Cc1ccc2nc(-c3ccccn3)cc(C(=O)N3CCN(c4ncccn4)CC3)c2c1
+,,,,0.0,,,,,,,,,,,,0.0,CID654688,COCC(C)NC(=O)CCS(=O)(=O)c1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1
+,,0.0,0.0,,,,,,,,,,,,,,CID659093,COc1ccc(C(NC(=O)c2ccco2)c2ccc(OC)c(OC)c2)cc1OC
+0.0,,,,0.0,,0.0,,,,,,0.0,,,,,CID651036,O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl)Nc1ccccn1
+,,,,0.0,,0.0,,,,0.0,,,,0.0,,,CID991780,O=S(=O)(c1cccc2c(S(=O)(=O)N3CCCC3)cccc12)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID2940172,Cc1ccc(SCC(=O)N(C)C2CCS(=O)(=O)C2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID1245716,CCc1noc(C)c1C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID3227974,Clc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID658919,CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(OC)cc23)CC1
+,,,,,,,,,,0.0,,,,,,,CID5133136,Cc1nc2ncnn2c(C)c1Cc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID5347096,CC(/C=C1\SC(=S)N(C(Cc2ccccc2)C(=O)O)C1=O)=C\c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID824954,O=c1cc(O)oc2c3c(n(-c4ccccc4)c(=O)c12)CCCCC3
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID2124287,Cc1noc(C)c1COC(=O)c1cc(C)n(-c2ccccc2)c1C
+,,,,,0.0,,,,,0.0,,,,,,,CID665518,Cc1cc(C)n(-c2nc(NCCCO)c3c4c(sc3n2)CCCC4)n1
+,,,,,,,0.0,0.0,0.0,0.0,,,,,,,CID2998057,Cc1cccc(C(=O)c2ccccc2C(=O)O)c1O
+,,,,,,,,,,,,,,0.0,,,CID2429565,CCc1cccc(CC)c1NC(=S)NCCc1ccc(O)c(O)c1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID681893,COC(=O)c1ccccc1NC(=O)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID5413753,C=CCC1=CC=C/C(=C\Nc2ncccc2O)C1=O
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID2999934,Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2OC(C)C)cc1
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+,0.0,,,,,,,,,,,,,,,,CID5389028,Cc1ccc(N/C=C\C(=O)C2C(=O)CC(C)(C)CC2=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2364878,O=C(COC(=O)c1cccc(Br)c1)NCCc1ccc(F)cc1
+,0.0,,,,0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,CID651831,COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1-c1ccc(OC)cc1
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+0.0,,,,,,,,0.0,,,,,,0.0,,,CID1244333,O=C(Nc1c(F)cc(F)cc1Br)c1cccnc1
+,,,0.0,,,,,,,0.0,,,,,,,CID5389605,CCc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
+,,,,,,,,,,,,,,0.0,,,CID1177253,O=C(/C=C/c1cccs1)Nc1scc(-c2ccccc2)c1C(=O)O
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID647160,COc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(OC)c1
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+,,0.0,,0.0,,,,,,0.0,,,0.0,,,,CID2999488,O=C(CC1Sc2ccccc2NC1=O)Nc1cccc(-c2nnc3n2CCCCC3)c1
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+,,,,,,,,,,,,,,0.0,,,CID15935061,CC1=C/C(=N/NC(=O)c2ccccc2)C=CC1=O
+,,,,,,,,,,,,,0.0,,,,CID1490067,Cc1occc(=O)c1OCc1c(F)cccc1Cl
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+,,,,,0.0,,,,,0.0,,,,,,,CID2321919,Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c(=O)n(-c2ccccc2)n1C
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID2063466,O=C(Cc1ccc(Br)cc1)c1ccc(O)cc1O
+,,,,,,,,,,,,,,0.0,,,CID2461769,CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID2869082,C/N=C(/Nc1ccc(C(=O)OC)cc1)SC1CC(=O)N(c2ccccc2F)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3175250,Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCCc4ccccc43)c(=O)[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID2375908,CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)O)ccc1OC
+,,,,,,,,,,,,,,1.0,,,CID743706,COc1ccc(C(=O)n2nnc3ccccc32)cc1OC
+,,,,0.0,0.0,,0.0,0.0,,,,,,,,,CID3241173,COc1ccc(-c2cc(C(=O)N3CC4(C)CC3CC(C)(C)C4)no2)cc1
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+,,,,,0.0,,,,,,0.0,,0.0,,0.0,,CID5389480,Cc1c(C)c2cc(Cl)c(O)c(CN3CCCCC3)c2oc1=O
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID2945376,COc1cccc(C(C#N)N2CCCCC2)c1O
+,,,,,,,,,,,,,0.0,,,,CID1243118,CC(C)C(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2572931,CC(C)(C)NC(=O)CSc1nncn1-c1ccccc1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID1067741,O=c1c2ccccc2nc(CSc2nnnn2-c2ccccc2)n1-c1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,,CID974727,C=CCC(CC=C)(C(=O)O)c1ccccc1
+,,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID3244026,CC1CCCCN1C(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21
+,,,,,,,,,0.0,,,,,,,,CID3133624,Cc1nn(-c2cc(C)c3ccccc3n2)c2c1C1C(C2)C1(C)C
+,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,CID1246707,Cc1cc(C(=O)Nc2ccc3c(c2)OCO3)cs1
+0.0,0.0,,,,0.0,,,,,,,,0.0,,,,CID659698,O=c1/c(=C/c2cccn2-c2ccccc2)sc2nc3ccccc3n12
+,,,,,,,,,,,,0.0,,,,,CID2870733,Cc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(C)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID2442472,Cc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1C
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID3298053,COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID228533,CC(=O)Oc1ccc(S(=O)(=O)c2ccc(OC(C)=O)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2504398,Cc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)no1
+,,,,,,,,,,0.0,,,,,,,CID3192888,O=C(Nc1nnc(COc2ccccc2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,0.0,,,,,,,,,,,,,0.0,,,CID916311,CCCc1nnc(SCC(=O)O)n1/N=C/c1ccc2c(c1)OCO2
+,0.0,,,,,,0.0,,,,,,,,,,CID3245146,COc1cccc(Nc2ncc(C(=O)O)c3ccccc23)c1
+,,,,,,,,,,,,,,,,0.0,CID2832419,Cc1ccc(N2C(=O)C3C(C2=O)C2C=CC3C23CC3)cc1
+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID3239537,O=C(Nc1ccccc1C(F)(F)F)N1CCC(N2CCCCC2)CC1
+,,,,,,0.0,,,0.0,,,,,,,,CID645885,Cc1cc(C)c2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID2226212,Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCC3)ccc2C)cc1C
+,,,,,,,,,,0.0,,0.0,,0.0,,,CID2998012,COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1
+0.0,,,,,0.0,0.0,,,,,,,,,0.0,,CID666480,Cn1c(CCN2CCCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
+,,,,,,,,0.0,,,,,,,,,CID3240595,CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2cccc(OC)c2)CC1
+,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,CID646700,CCc1ccccc1NC(=O)C(C#N)Cc1cccnc1
+,,,,,,,,,,0.0,,0.0,,,,,CID5771400,CC1=C(C(=O)Nc2ccccn2)C(c2ccccc2)N2NC=NC2=N1
+,,,0.0,0.0,,,0.0,0.0,,,,,,,,,CID3241094,COc1ccc(CCNC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID915709,COc1ccccc1N1CC=C(c2cccc([N+](=O)[O-])c2)NC1=O
+,,,,,0.0,,,,,,,,,,,,CID1363967,O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccs1
+,,,,,,,,0.0,,,,,,,,0.0,CID2166842,COc1cc(NC(=O)CCCC(=O)OCC(F)(F)C(F)F)nc(OC)n1
+,,,,,0.0,,,,,,,,,,,,CID2888012,CCc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID1151907,COC(=O)c1ccc(CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)o1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3245851,CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
+,,,,,,,,,,,0.0,,,,,,CID1262560,O=C(CSCc1c(Cl)cccc1Cl)NN1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID707786,Cc1c(/N=C/c2ccc(Br)s2)cccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID1347240,Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccs4)c3)nc2c1
+,,,,,,,,0.0,,,,,,,,0.0,CID3239578,COc1ccc(NC(=O)C(F)(OC)C(F)(F)F)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID9551090,CN(CC(=O)N1CCN(c2ccccc2F)CC1)S(=O)(=O)c1cnc[nH]1
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID870960,CN1C[N+]([O-])=C(c2ccccc2)C1(C)C
+0.0,,,,,,,,,,,,0.0,,,,,CID5309764,COc1cccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)c1
+,,,,,,,,,,,,,0.0,,,,CID2565158,O=C(COc1ccc(Br)cc1Cl)NC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID765951,Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccco1
+,,,,,,,,,,,,,,,0.0,,CID1212198,COc1cc(C)nc(N(Cc2ccccc2)S(=O)(=O)c2ccccc2)n1
+,,,0.0,,,,,,0.0,,,,,,,,CID3239576,c1ccc2c(c1)nc(Nc1ccc3c(c1)OCO3)c1nnnn12
+,,,,,,,,0.0,,0.0,,,,,,,CID5742504,C/C(N)=C(/C#N)C(=O)CSc1ncnc2ccccc12
+,,0.0,,,,,,,0.0,,0.0,,,,,,CID2998663,CSC1=C(C#N)C(c2cccs2)CC(=O)N1C
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID792513,Clc1nnc2ccc(-c3ccccc3)nn12
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID797499,O/N=C1\CCCc2oc3c(c21)CCCC3
+,,,,,,,,,0.0,,,,0.0,,,,CID831961,COC(=O)c1sccc1NC(=O)c1sccc1C
+,,,,,0.0,,,,,0.0,,,,,,,CID2296268,C=CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID2998796,CCOC(=O)C1=C(CC)Nc2ccccc2N=C1NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2571410,O=C(CCCc1cccs1)Nc1ccc2c(c1)OCO2
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID1917214,CCC(=O)/N=C(\N)Nc1nc(C)c2cc(OC)ccc2n1
+,,,,,0.0,0.0,,,,,,,,,,,CID5769015,Cc1ccc(C)c(/C(O)=C2\C(=O)C(=O)N(CCCn3ccnc3)C2c2ccncc2)c1
+,,,,,,,,,,0.0,,,,,,,CID3158800,CCOc1ccc(C2NC(=O)C(C#N)=C(S)N2c2ccc(C)cc2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID4877178,CC(OC(=O)CN1C(=O)NC(C)(C)C1=O)C(=O)c1ccccc1
+,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID3236760,COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1OC
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID834221,CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1
+0.0,0.0,,,,,,,,,,,,,,,,CID4137690,O=C(COc1ccc(=O)n(-c2ccccc2)n1)Nc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID2963680,CCOC(=O)C1(O)CSc2nc3sc(C(=O)O)c(C)c3c(=O)n21
+,0.0,,,,,,,,0.0,0.0,,,,,,,CID652756,COc1ccc(CC(=O)NC2CCN(Cc3nnnn3C(C)(C)C)CC2)cc1OC
+,,,,,,,,,0.0,,,,,0.0,,,CID2501103,Cc1ccc(OCc2nc(-c3ccccn3)n[nH]2)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID1622521,Cc1cc(C)cc(OCCCC(=O)O)c1
+0.0,,,,,,,,,,,0.0,0.0,,,,,CID1314910,COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)Cn1nc(C)c2ccccc2c1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID3120512,CC1(C)OC(=O)N(c2ccccc2)C12C=Cc1cc(Br)ccc1O2
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID648240,CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(Cl)c1O
+,,,,,,,,,,,0.0,,,,,,CID4677340,CCCCNC(=S)NNC(=O)c1csc2ccccc12
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID662544,CCc1ccccc1NC(=O)CSc1nnc(-c2ccco2)n1N
+,,,,,0.0,,,,,,,,,,,,CID3126542,CC1CCCN(C(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)C1
+,,,,,,,,,,,,,,0.0,,,CID4135999,O=C(Cc1ccc(Br)cc1)OCC(=O)N1CCc2ccccc2C1
+,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID3239998,COc1cc(C2=NOC(C(=O)N3CCCc4ccccc43)C2)cc(OC)c1OC
+0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID663893,CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2ccncc2)n1
+,,,,,,,,0.0,,,,,,,,,CID2953357,O=C1N(Nc2ccccc2)C(c2ccc(Br)cc2)C12CCCC2
+,,,,,,,,,0.0,,,,0.0,,,,CID868614,COc1ccc(CCC(=O)Nc2cc(Cl)ccc2OC)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2908326,CSC1=C(C#N)C(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID3422817,Cc1ccc(CCN2CC(C(=O)NCc3cccnc3)CC2=O)cc1
+,0.0,,,,0.0,0.0,,,,,0.0,,,,,,CID646164,CCOC(=O)CSC1=C(C#N)C(C)C2=C(CCCC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID828552,Cc1ccc(-c2nc(N)n(C(=O)c3ccco3)n2)cc1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID3235975,O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccn2)CC1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310131,Cc1nc(CCNC(=O)COc2ccccc2)cs1
+,,,,,,,,,,,,,0.0,,,,CID2967948,Cn1nnnc1SC1CC(=O)N(c2ccccc2)C1=O
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+,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,0.0,CID2159444,CCN(CC)S(=O)(=O)c1ccc(C(=O)NCc2nnc(SCC(=O)OC)n2C)cc1
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+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2272991,CCOC(=O)c1c(NC(=O)CSc2nc(=O)c(C)n[nH]2)sc2c1CCCC2
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+,,,,,,,,,0.0,,,,,,,,CID3145807,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCCC1
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+,,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID3243936,COc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1
+0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,,,CID972862,COc1ccc(-c2cc(=O)n(-c3nc4ccccc4[nH]3)[nH]2)cc1
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+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,CID958620,Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)CC(C)C
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+,,,,,,,,,0.0,,,,0.0,,,,CID2889882,C=CCNC(=O)C(C)Sc1ccc(Cl)cc1
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+,0.0,,,,,,,,,,,,,,,0.0,CID700801,Cc1nc(=S)n(-c2ccccc2)[nH]1
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+0.0,,,,,0.0,,,,,,,,,,,0.0,CID1457216,O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(F)cc1
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+,,,,,,,,,,,0.0,,,,,,CID2290548,O=C(CCCOc1ccccc1)Nc1ccc(Br)cc1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID1252123,COC(=O)Nc1ncc(CN2C(=O)c3ccccc3C2=O)s1
+,,,,,,,0.0,0.0,,,,,,0.0,,0.0,CID3235645,O=C(Cn1cnc2c(oc3ccccc32)c1=O)N1CCN(c2ccccc2)CC1
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+,,,,,,,,,0.0,,,,,,,,CID2942489,COc1ccc(N(CC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)S(C)(=O)=O)cc1OC
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+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID4190893,COc1cccc(NC(=O)CSc2nc3c(c(=O)n2C)SC(C)C3)c1
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+,,0.0,,,,,,,,,,,,,,0.0,CID655683,O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C1CCCC1)OCCO3
+,,,,,,,,,,,,,,0.0,,,CID180957,O=[N+]([O-])/C=C1\NCCN1Cc1ccc(Cl)nc1
+,,,,,,,,,,,,,,0.0,,,CID4882811,Cc1nn(Cc2ccccc2)c(C)c1C(=O)OCC(=O)NC1CCS(=O)(=O)C1
+,,,,,,,,0.0,,,,0.0,,,,,CID3239640,COc1ccc(C(NC(=O)CNC(C)=O)C(=O)Nc2ccc3c(c2)OCCO3)cc1
+0.0,,,,,,,,,,,,0.0,0.0,0.0,,,CID654925,c1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID2348339,C(=N/n1cnnc1)\c1ccc(N2CCOCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID654841,COc1cc(Cl)c(S(=O)(=O)NCCCN2CCOCC2)cc1Cl
+,,,,,,0.0,0.0,,,,,,,0.0,,0.0,CID2612965,O=C(CSCC(=O)N1CCCCC1)OCC(=O)c1c[nH]c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID5201776,CC(=O)c1c(C)nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)n1O
+,,,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,,CID871915,CC(=O)c1cccc(NC(=O)Cc2cccs2)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID2117250,Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1=O
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+,,,,,,,,,0.0,,,,,,,,CID9550463,N/C(COc1ccc(F)cc1)=N\NC(=O)c1cccnc1Oc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2893538,CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1cccc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID16193994,COC(=O)c1nnn(CC(=O)NC(=O)Nc2cccc(Cl)c2C)c1C(=O)OC
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID849618,CCOc1ccc2nc(NS(C)(=O)=O)sc2c1
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID854239,NS(=O)(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID5389521,C/C(NCCN1CCOCC1)=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID1077792,COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID1247385,Cc1cc(C(=O)Nc2ccccn2)no1
+,,,,,,,,,,0.0,,,,,,,CID3237811,O=C(Cn1c(=O)n(CCCC(=O)NC2CCCC2)c(=O)c2ccccc21)NCCC1=CCCCC1
+,,0.0,,0.0,,,,,,,,,,,,,CID3243454,CCC(Sc1nc(=O)cc(N)n1CCc1ccccc1)C(=O)Nc1ccccc1C#N
+0.0,,,,,,,,,,,,,0.0,,0.0,,CID1017018,Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1N1CCOCC1
+,,,,,,,,,,,,,0.0,,0.0,,CID895975,COC(=O)c1cc(NC(=O)C2CC2)cc(C(=O)OC)c1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID3239001,N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1ccc(OC(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3236388,CCOC(=O)c1nnn(CC(=O)Nc2cccc(F)c2)c1C(=O)OCC
+,,,,,,,,,,,,,0.0,,,,CID3850056,Cc1nn(C)c(Oc2cccc(Cl)c2)c1C#N
+,,0.0,,,0.0,,,,,,,,,,,,CID3238919,CSCCC(NC(=O)C1CCC(C)CC1)C(=O)NCCN1CCOCC1
+,,,,,,,,,0.0,,0.0,,,,,,CID1483667,CNC(=O)c1sc(-c2ccc(Cl)cc2)nc1C
+,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID649528,CCOC(=O)c1c(NC(=O)CSc2nnc(CNc3ccc(OC)cc3)n2C)sc(C)c1C
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID5309164,Cc1cccc(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4cccc5cccnc45)C3)CC2)c1C
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0,CID647080,O=C(CSc1ccccn1)N1CCN(C(=O)CSc2ccccn2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID973222,CCC(C)(C)c1ccc(OCCN2C(=O)NC(C)(C)C2=O)cc1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID649269,Cc1cccc(NC(=O)N2CCC(NC(=O)c3ccccc3C)CC2)c1
+,0.0,,,,,,,0.0,0.0,,,,,0.0,0.0,,CID977497,COC(=O)c1ccc(NC(=O)CS(=O)(=O)Cc2ccccc2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID666743,Cc1cc(C(F)(F)F)nc(SCc2ccc(C(=O)O)o2)n1
+,,,,,,,,,0.0,,,,,,,,CID1293322,CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID675424,Cc1ccc(S(=O)(=O)CC(=O)NC2CC2)cc1
+0.0,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,CID661504,Cc1ccc(-c2nc3ccccc3c(=O)n2-n2cccc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID2867735,Cc1onc(-c2ccccc2)c1C(=O)N1CC(C)OC(C)C1
+,,,,,,,,,,,,,,0.0,,,CID2513220,N#C/C(=C/c1cn[nH]c1-c1ccc(Br)cc1)C(=O)O
+,,,,,,,,,,,0.0,,,,,,CID1893860,CCNc1nc(NC(C)C)nc(OCCOC(=O)Nc2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID3141123,C/C(CCc1ccc2c(c1)OCO2)=N\NC1=NC(=O)CC(C(=O)Nc2ccc(Cl)cc2)S1
+,,,,,,,,,,,,,,0.0,,,CID981111,O=S(=O)(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,,0.0,,CID654626,c1cnc(NC2C3CC4CC(C3)CC2C4)nc1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3241128,CCCOc1ccc(OC(=O)c2ccc(Br)o2)cc1
+,,0.0,,,,,,,,,,,,,,,CID666512,CCC(=O)Nc1cc(=O)nc2nc[nH]n12
+,,,,,,,,,,,,0.0,,,,0.0,CID3244889,CCOC(=O)N1CCN(C(=O)CN2C(=O)CC(C)(C)S(=O)(=O)c3ccccc32)CC1
+,0.0,,,,,,,,,,,,,,,,CID5307965,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)Nc2cc(F)ccc2F)c(C)o1
+,,,,,,,,,,,0.0,,,,,,CID3172393,Cc1ccc2cc(CN(Cc3ccco3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C
+,,,,,0.0,,,,,,,,,,,,CID1480702,CCn1c(-c2ccc3ncccc3c2)n[nH]c1=S
+,,,,0.0,,,,,,,,0.0,,,,,CID1125110,COc1ccc(C)cc1S(=O)(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2OC)CC1
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID655362,COc1ccc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)c2ncccc12
+,,,,,,,,,,,,,,0.0,,,CID2431670,CCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2OC)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1274192,COC(=O)CCC(=O)Nc1nnc(C(F)(F)F)s1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID1835336,Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(N3CCN(C)CC3)nc3c(C)cccn3c2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID5308590,CCn1c(=O)c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c2ccccc21
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID709138,COc1nc(C#N)nc(N(C)C)n1
+,,,,,,,,,0.0,,,,,0.0,,,CID1313390,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1)c1ccc2c(c1)OCCO2
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID666637,c1ccc(Cc2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID653416,COc1ccc(CNC(=O)c2csnn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2469084,CN(C)C(=O)COC(=O)c1ccccc1Sc1ccccc1C#N
+,,,,,,,,,,,0.0,,,0.0,,,CID1113270,COc1cc(/C=N/NC(=O)c2ccncc2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID4891818,Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2cccc(Cl)c2)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2210762,O=C(O)Cc1ccc(NC(=S)Nc2cccc(Cl)c2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2381190,CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(C)c1C
+0.0,0.0,,,,,0.0,,,,,,0.0,,,,,CID649283,COc1ccc(-c2noc(C3CCCN(C(=O)c4ccccc4OC)C3)n2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID215639,O=c1[nH]cnc2scc(-c3ccccc3)c12
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID644690,COc1cc(NC(=O)c2ccco2)c(OC)cc1NC(=O)CCC(=O)Nc1ccccc1C
+,,,,,,,,,,,,,,0.0,,,CID2766044,COC(=O)CC(c1ccc(C(C)C)cc1)n1cccc1
+,,,0.0,0.0,,,,,,,,,,,,,CID4092553,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1
+,,,,,,,,0.0,,,,,,,,,CID777240,CC(C)CCNc1cc(=O)n(C)c(=O)n1C
+,,,,,0.0,,,,,,,,,,0.0,,CID755066,C=CCn1c(=O)n(CC=C)c2cc(C)ccc21
+,,,,,,,,,,0.0,,,,,,,CID4694173,COc1cccc(Nc2nc(CC(C)=O)ns2)c1
+,,,,,0.0,,,,,,,,,,,,CID1584587,CCOC(=O)CCCN1C(=O)/C(=C\c2cccs2)SC1=S
+,,,,,,,,,,,,,,0.0,,,CID2365755,COC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccco1
+,,,0.0,,,,,,,,,,,,,,CID661267,Cc1ccc(-n2ncc3c(NCCCN4CCCC4=O)ncnc32)c(C)c1
+0.0,,,0.0,,,,0.0,,,0.0,,,,,,0.0,CID645929,CC(C)(C)NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C1CCCCC1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID5310337,COc1cccc(NC(=O)CSc2ccc3nnc(-c4ccncc4)n3n2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID984840,COc1ccc(-c2nc(NC(=O)CSc3nnc4ccccn34)ns2)cc1
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+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID648835,NC(=O)C1CCN(c2ncnc3c(-c4ccccc4)nsc23)CC1
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+,0.0,,,,,,0.0,,,0.0,,,,,,,CID650396,Cc1ccc(C(C)n2cc(C(=O)NCc3cccnc3)nn2)cc1
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+0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,,CID655479,CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2CC)s1
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID2947486,O=C(Nc1ccon1)c1sc2cc(F)ccc2c1Cl
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,0.0,CID3236815,COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID1311120,COc1cc(S(=O)(=O)N2CCCCC2)ccc1NC(=O)Cc1ccccc1
+0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,,0.0,CID2234360,CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cn1
+,,,,,,,,0.0,,,0.0,,,,,,CID1459213,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)c3ccccc3)cc2c1
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+,0.0,,,,,,,,,,,,,,,,CID5308091,COc1ccc(NC2c3ccccc3C(=O)N2Cc2ccco2)cc1OC
+,0.0,0.0,,,,,,0.0,,,0.0,0.0,,,0.0,,CID2952944,CCOC(=O)C1CCCN(C(=O)CS(=O)(=O)Cc2ccccc2)C1
+,,,,,,,,0.0,,,,,,,,,CID960954,CC(C)(C)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID987999,Cc1cc(C=C2C(=O)NC(=S)NC2=O)c(C)n1-c1ccc2c(c1)OCO2
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+,,,,,,,0.0,,,,,0.0,,,,,CID777911,CCC(=O)c1ccc(N2CCCCCC2)c(F)c1
+,,,0.0,0.0,,,,,,,,,,,,,CID95552,Cc1ccc(NCC(O)C(O)C(O)CO)cc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2274868,CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccccn2)C1=O
+,0.0,,,,,,,,,,,,,,,,CID4899142,Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2ccccc2Cl)n(C)c1=O
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+,,,,,0.0,,,,,,,,,,,,CID3216049,O=C(CN(C(=O)CSc1nc2ccccc2o1)c1ccccc1)NC1CCCCC1
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+,,,,,,,,,,,,,0.0,,,,CID1016575,Cc1ccccc1NC(=S)NC(=O)c1cncc(Br)c1
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+,,,,,,,,,,,,,,0.0,,,CID756083,Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C
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+,,,,,,,,0.0,,,,,,0.0,,,CID3000142,CNc1sc(C(=O)c2cccs2)c(N)c1-c1nc2ccccc2s1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID2997997,CN1CCC(N(C)C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)CC1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID645754,Cc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCO4)nc2c1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID651973,CCOC(=O)c1[nH]c2ccc(C)cc2c1/N=C(\C)N(C)C
+0.0,,,0.0,,0.0,,,0.0,,,,,,,,,CID645631,O=C(Oc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1)c1ccco1
+0.0,0.0,,,0.0,,,,,,0.0,,,0.0,,0.0,,CID2621339,Cc1cc(-n2c(C)cc(C(=O)CSc3nnnn3-c3ccccc3)c2C)no1
+0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,,CID664248,COc1ccc(Nc2ncc3c(n2)CC(c2ccccc2)CC3=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3190081,CC(C)(C)NC(=O)C(c1ccc(O)cc1)N(Cc1ccco1)C(=O)Cn1nnc(-c2cccs2)n1
+,,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,CID658137,CCCSc1nc(N2CCOCC2)c2c(c1C#N)CCCC2
+,0.0,,,,,0.0,0.0,,0.0,,,,,,,0.0,CID2359065,O=C(Nc1nc(-c2ccccn2)cs1)C1CC1
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+,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,0.0,,CID893978,Cc1nc2cc(NC(=O)NCc3ccco3)ccc2n1C
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID3236010,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccccc1)N1CCCC1
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+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID2160979,O=C(COc1ccc(F)cc1)N(CC1=CCS(=O)(=O)C1)c1ccccc1
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+0.0,,,,,,,,,,,,0.0,0.0,,,,CID4564556,CCC(=O)Nc1nc2ccc3nc(C)sc3c2s1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,0.0,CID3244427,O=C(C1CC1)N1CCN=C1SCc1ccc(Cl)cc1
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+,,,,,0.0,,,,,,,,,,,,CID3589268,CN(C(=O)c1ccc2c(c1)C(=O)N(CCC1=CCCCC1)C2=O)C1CCCCC1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID683821,Cc1nn(Cc2ccccc2)c(N)c1C#N
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+,,,,,,,,,,,,,0.0,,,,CID1432093,Cc1ccc(CSc2nnc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)o2)cc1
+0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,CID744635,CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1
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+,0.0,,,,,,,,,,,0.0,,,,,CID2155056,CCCCN(c1ccccc1)c1ncnc2nc[nH]c12
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+,0.0,,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,CID768864,COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1
+,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,,CID970962,COc1ccc(NC(=O)N2CCCC2)cc1OC
+,,0.0,,,,,,0.0,,,,0.0,,,0.0,0.0,CID664512,COc1ccc(Cn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC
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+,,0.0,,,,,,,0.0,,,,,,,,CID659920,Cn1c(N2CCN(c3ccccn3)CC2)nc2c1c(=O)n(Cc1ccccc1Cl)c(=O)n2C
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID3242450,CC(C)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)no1
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+,,,,,,,,,,,,,0.0,,,,CID2325630,COc1cccc(/C=C(\C(=O)O)c2ccccc2)c1
+,,,,0.0,,,,,,,,,,,,,CID2886664,CCN(CC)C(=O)CSc1nsc(SCC(=O)N(CC)CC)c1C#N
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID3242471,NC(=O)c1cc2ccc(=O)cc-2oc1NCc1ccccc1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID2997941,Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3576264,Cc1ccc(S(=O)(=O)c2c(C)cc(-c3ccccc3)[nH]c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2317140,COc1ccc(OCCNS(=O)(=O)Cc2ccccc2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID662879,Cc1cccc(C)c1NC(=O)CSc1nnc(C(C)NC(=O)OC(C)(C)C)o1
+,,,,,,,,,,,,,,0.0,,,CID2122413,O=C(COC(=O)COc1ccccc1)NCc1ccccc1
+,0.0,0.0,,,,,,,,,,,,,,,CID1148538,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccccc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1487437,C=CCn1nc(-c2ccccc2)c2c(C)onc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID3121367,CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,CID901250,O=C(CS(=O)(=O)Cc1ccccc1)Nc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID1487595,O=C1c2ccsc2SCCN1Cc1ccc(Cl)cc1
+,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,CID2908475,O=C(NC1CCS(=O)(=O)C1)c1ccccc1C(=O)c1ccccc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID871935,O=C(COc1ccccc1)Nc1ncccn1
+,,,,,,,,,,,0.0,,,,,,CID2964002,O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)N1CCN(c2ccccc2)CC1
+0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID619028,O=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID737908,CCC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,,CID1007769,Cn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nnc1-c1ccco1
+,,,,,0.0,,,,0.0,,,,,,,,CID619307,CCC(C)(c1ccc(C=O)s1)c1ccc(C=O)s1
+,,,,0.0,,,0.0,0.0,,,0.0,,,,,,CID655136,c1ccc2c3c(cc(N4CCOCC4)c2c1)OC1(N2CCOCC2)CCCCC1O3
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID1376683,CCOc1nc(CC)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
+,,,,,,,,,0.0,0.0,,,,,,,CID5309955,CC(C)(C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
+,,,,,0.0,,,,,,,0.0,,,,,CID2925272,CCOc1ccc(N2CC(C(=O)Nc3ncccc3C)CC2=O)cc1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,,CID2531056,c1cc2c(cc1Nc1nc(-c3ccc4c(c3)OCO4)cs1)OCCO2
+,,,,,,,,,0.0,,,,,,,,CID782439,COc1ccc(CN2CCOCC2)cc1
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+,0.0,0.0,,,,,,,1.0,,0.0,0.0,,,0.0,,CID855426,O=C(Nc1nccs1)c1ccc2nccnc2c1
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+,,,,,,,,,,,,,,0.0,,,CID4390735,COc1ccc(S(=O)(=O)N2CCC(C(=O)OCC(=O)c3ccccc3)CC2)cc1[N+](=O)[O-]
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+,,,,,,,,,,,,,,0.0,,,CID901547,Cc1csc(C(=O)O)c1-c1c(C)csc1C(=O)O
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+,0.0,,,,,,,,0.0,,,,,,,,CID3239614,COc1cccc(-n2nnc3c(=O)n(Cc4ccc(F)cc4)cnc32)c1
+,,,,,,,,,,,,,,0.0,,,CID848457,Nc1[nH]c(SCC(=O)NC2CCCC2)nc(=O)c1-c1ccccc1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID648918,CC(=O)N(CC1CCCO1)c1nnc(-c2cnccn2)s1
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+,,,,,0.0,,,,,,,,,,,,CID990688,CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(C(C)=O)cc4)nnc3c2c1-c1ccc(OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID947379,CCCC(=O)Nc1sc(C)c(C)c1C(=O)Nc1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID5308136,COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
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+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID2997787,O=C(CSc1ccc2c(c1)OCCO2)NCc1ccco1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID849810,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1ccco1
+,0.0,,,,,,0.0,,,0.0,,,,0.0,,0.0,CID5307662,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCN2CCOCC2)c(C)o1
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+,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID3241721,CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)Nc1ccccc1OC
+,,,0.0,,,,,,,,,,,,0.0,,CID646040,CS(=O)(=O)Nc1cccc(C(=O)CC2(O)C(=O)Nc3ccccc32)c1
+0.0,,,,0.0,0.0,,,,,,,,,,0.0,,CID2498659,Cc1ccccc1CSCC(=O)NC(=O)NCc1ccco1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID3243974,Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1
+,,,,,,0.0,,,,,,,,,,,CID660434,Cc1cccc(C)c1NC(=O)CSCC(=O)c1ccc(O)c(O)c1
+,,,,,,,,,,,0.0,,,,,,CID3437919,Cc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)s1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2768490,Cc1ccc(-n2ncc(C#N)c2/N=C/N(C)C)cc1
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+,0.0,,,,,,,,0.0,0.0,0.0,,,,0.0,,CID658703,N#Cc1c(NCc2ccccc2)ccnc1NCc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3094489,O=[N+]([O-])c1ccc(N/N=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID799748,Cc1ccccc1N1CCN(C(=S)c2ccc([N+](=O)[O-])cc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID2940993,COc1ccc(N2CCN(c3nc(NCCc4ccc(OC)c(OC)c4)nc(OC)n3)CC2)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID649352,CCNC(=O)C1CC(=O)N(Cc2ccc(F)cc2)/C(=N/c2ccc(OC)cc2)S1
+0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,,CID3237724,CCc1c(C(=O)NCc2ccc3c(c2)OCO3)[nH]c(C)c1C(C)=O
+0.0,,,,,,0.0,,,,,,,,,,,CID658797,CCCCn1c(NC(=O)c2ccccc2Cl)c(C#N)c2nc3ccccc3nc21
+,0.0,,,,,,,,,,,,0.0,,,,CID341408,O=S(=O)(Nc1ccccc1Cl)c1ccc(F)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID645459,COc1ccc(CCNC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1OC
+,,,,0.0,0.0,,,,0.0,1.0,,0.0,0.0,,,,CID2527506,Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1
+0.0,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID650312,Cc1cc(N2CCC(C(=O)NC3CCCCC3)CC2)nc(-c2ccccc2)n1
+,,,,,,,0.0,,,,,,,,,0.0,CID5308871,CCOc1ccc(C2Oc3nc(SC)nnc3-c3ccccc3N2C(C)=O)cc1OC
+,,,,,0.0,,,,,,,,,,0.0,,CID2283856,Cc1ccc(C(=O)NCCNC(=O)CN2CCCC2)cc1
+,0.0,,,,,,,,0.0,,,0.0,,,0.0,,CID2940850,O=C(C1CC(=O)N(c2ccccc2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1
+,,,,,,,,0.0,,,,,,,,,CID700001,COc1ccc2cc(C(=O)NCC(=O)O)sc(=O)c2c1OC
+,,,,,,,,,,,0.0,,,,,,CID993360,Cc1ccc(OCCn2c(CCNC(=O)C(C)C)nc3ccccc32)cc1
+,,,,,,,,,0.0,,,,,,,,CID829059,COc1ccccc1/C=C1C(=N/O)/C2CCN/1CC2
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID9595210,CCCC[n+]1cc(/N=C(\[O-])OC)on1
+,,,,,0.0,,,,,,,,,0.0,,,CID666838,CCn1c(-c2ccc(N(C)C)cc2)nc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID3238407,CCOC(=O)N1CCN(c2c(N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(=O)c2=O)CC1
+,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,,CID747469,CC(=O)c1ccc(-n2nncc2C(C)(C)C)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID660153,COC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N
+0.0,,,,,,,,,0.0,,,0.0,,,,0.0,CID2148464,Cn1c(NC(=O)c2ccc(Cl)cc2Cl)cc(=O)n(C)c1=O
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2952410,Cn1c(NCCCO)nc2ccccc21
+0.0,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,0.0,CID1243679,COC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2ccc(Cl)cc2)o1
+,,,,,,,0.0,,,,,,,,,,CID1222,CC(N)(C(=O)O)c1ccc(C(=O)O)cc1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID655409,O=C(Cc1cccs1)Nn1c(Cc2cccs2)nc2ccccc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID2998991,O=C(O)CNC1=NCCCCC1
+,,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,CID648676,CCOC(=O)c1cc2sccc2n1CC(=O)N1CCCC1
+,0.0,,,,,,,,,,,0.0,,,,,CID656262,CCc1nn(CC(=O)O)c(=O)c2ccccc12
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID2083459,Cc1ccc(F)cc1NC(=O)c1cccc(N(C)C)c1
+0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,CID373687,O=c1nc[nH]c2c1sc(=S)n2-c1ccccc1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,0.0,0.0,CID2362845,COC(=O)c1ccc(NC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID651647,CCCC1(C(=O)OC)NC(c2cc(OC)c(OC)c(OC)c2)C2C(=O)N(CC)C(=O)C21
+,,,0.0,,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID2975715,CC(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1
+,,,,,0.0,,,,,,,,,,,,CID3635397,CCOC(=O)C1=C(OCc2ccc(Cl)cc2)C2C=C(C)C=CC2N=C1
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID651025,CCCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(OC)ccc3OC)C2C1
+,,0.0,,,,,,,,,,,,,,,CID727712,NC(=O)CCS(=O)(=O)CCN1CCCCC1
+,,,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,CID903516,Cc1ccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)o1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID2999241,N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(CC2CCCO2)c1=O
+,,,,,0.0,,,,,,,,,,,,CID875958,CCc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3852093,O=C(Cc1ccccc1)c1c[nH]c(C(=O)NCCCn2ccnc2)c1
+,,,,,,,,0.0,,,,,,,,,CID945164,Cc1nc2c([nH]c3ccc(Br)cc32)s1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,,0.0,CID3242821,O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)N1CCN(c2ccccc2Cl)CC1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2093949,COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1
+0.0,,,,,,,,,,,,,,,,,CID784220,COc1ccc(NCc2ccc(OC)c(OC)c2)cc1
+,,,,,,,,,,,,0.0,,,,,CID2999779,Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2CC2CCCO2)cc1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID649618,O=C(Nc1cccc2ccccc12)c1cnccn1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID803153,CCOc1ccc(C(=O)Nc2ccncc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3299924,O=C(NNS(=O)(=O)c1ccc2ccccc2c1)C1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2083276,Cc1cc(NC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
+,,,,,0.0,,,,,,,,,,,,CID737674,CC(=O)c1cccc(NC(=O)CN2CCOCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID5730485,C/C=C/c1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID1933725,CCOc1cc2oc(=O)c3c(c2cc1Cl)CCC3
+,,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,CID3116865,Cc1ccc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)o1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID3238779,COc1ccccc1CNS(=O)(=O)c1c(C)noc1C
+,,,,,,0.0,,,,,,,,,0.0,,CID2332460,CCOC(=O)c1[nH]nc(N)c1NC(=O)c1ccc(Cl)cc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID1073560,N#C/C(=C\c1cn(Cc2ccccc2)c2ccccc12)C(=O)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID74969,COc1cccc(OCC(=O)O)c1
+,,,,,,,0.0,0.0,,0.0,,,,,,0.0,CID650263,CCOC(=O)C1(CC)NC(c2ccco2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21
+,0.0,,,,,,,,,,,,,,,,CID5307582,c1ccc(CN2CCN(CCCNc3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID651386,COc1ccc(C(c2nnnn2C2CCCCC2)N2CCN(c3ccccc3F)CC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3242933,COc1ccc(Cl)cc1S(=O)(=O)N1CCN(CC(=O)C(C)(C)C)CC1
+,,,,,,,,,,0.0,,,,,0.0,,CID659114,Cc1sc(C(=O)NCc2cccnc2)c2nc(C)n(CC(=O)NCc3cccnc3)c(=O)c12
+,,,,,,,,,,,,,,0.0,,,CID1910311,Cc1nc(Nc2nc(=O)cc(CSc3nc4ccccc4[nH]3)[nH]2)nc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID2999161,COc1ccc(N2CCN(C(=O)CN3C(=O)C4CC=CCC4C3=O)CC2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3160407,Cc1ccc2nc(C(C)O)[nH]c2c1
+,,,,,,,,,0.0,,,,,,,,CID2147556,CN(C)S(=O)(=O)N1CCN(C(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2910055,COc1ccc(NC(=O)C(CC(=O)O)Cc2ccc(C)cc2)cc1
+,,,0.0,0.0,,,,,,,0.0,,,,,,CID821362,CC1(C)CC(=O)c2c(O)cc(O)cc2O1
+,,,,,,,,0.0,,,,,,,,,CID2787183,CC(C)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID1798703,Cc1ccc(CSCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)cc1
+,,,0.0,,,0.0,,,,,,,,0.0,,,CID2837731,Nc1ccc(C2CCCc3nonc32)c2nonc12
+,,,,,,,,,,,,,,0.0,,,CID3644532,N#CCC(=O)N/N=C/c1cccc(Oc2ccccc2)c1
+0.0,0.0,,,,,,,,0.0,,,0.0,,,,,CID5307096,Cn1cccc1Cc1nnc(SCC(=O)Nc2ccccc2F)n1CCc1ccccc1
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID658707,CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C1c1cccnc1
+,,0.0,,,,,,,,,,0.0,,,,,CID5738848,C=CCn1c(SC/C=C/c2ccccc2)nnc1-c1sc(N)nc1C
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID2262203,CCOc1ccc(N(CC(=O)NCCSc2ccccn2)S(C)(=O)=O)cc1
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID2928915,COc1ccc(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)cc1
+,,,,,,,,,,0.0,,,,,,,CID1319379,Cc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2454274,c1cnc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)cn1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID705822,Brc1cccc(-c2nc(-c3ccncc3)no2)c1
+,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,0.0,,CID2196292,CCCc1cc(=O)nc(SCC(=O)Nc2cc3c(cc2C(C)=O)OCO3)[nH]1
+,,,,,0.0,,,,,,,,,,0.0,,CID877471,COc1cc(C(=O)O)cc(OC)c1OCc1cc(C(=O)O)oc1C
+,,,,,,,,,,,,,0.0,,,,CID752812,Cn1c(CO)c(-c2ccccc2)c2cc([N+](=O)[O-])ccc21
+,,,,,0.0,,0.0,,,,0.0,,,,0.0,,CID2999391,CCN(CC)CCCC(C)NC1=NCCCCC1
+,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,CID1007772,CCn1c(SCC(=O)NCc2cccs2)nnc1-c1cccs1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID5308647,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1F
+,,,,,0.0,0.0,,,,0.0,0.0,,,,,,CID655816,Cc1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
+,,,,,,0.0,,,,,,,,,,,CID2788237,CCOCCOC(=O)C(C)Sc1n[nH]c(=O)[nH]c1=O
+,,,,0.0,,,,0.0,,,,,,,,,CID971203,CSc1cccc(NC(=O)CSc2nnc(C)s2)c1
+,,,,,,,,,0.0,,,,,,,,CID4204315,O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NC1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID5389450,C=CCOc1cccc(C2/C(=C(/O)c3ccc(F)cc3)C(=O)C(=O)N2CCN2CCOCC2)c1
+0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,,CID652926,O=C(CCC(=O)N(c1ccccc1)C(C(=O)NC1CCCC1)c1ccncc1)Nc1cccnc1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2354951,Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(C)on2)c1
+,,,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,CID2978869,COc1ccc(OC)c(NC(=O)C23CCC(C)(C(=O)C2)C3(C)C)c1
+,,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID5389311,Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccs2)cnn1-c1ccccc1
+0.0,,0.0,,,,,,,,,0.0,,,,0.0,,CID646852,CC(C)(C)n1nnnc1C(c1cccs1)N1CCCC2(CCCCC2)C1
+,,,,,,,,,,0.0,0.0,,,,,,CID3868055,O=C(NCCO)c1cc2c(s1)CCC2
+,,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID649973,CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cccc(C)c2)c1
+,,,,,,,,,,0.0,,,,,,,CID647609,Nc1nonc1-c1nc2ccccc2n1CC(=O)NC1CCCC1
+,,,,,,,,0.0,0.0,,,,,,,,CID1933256,O=C(/C=C/c1ccccc1)NC(=S)NNC(=O)Cc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2231292,COC(=O)c1cc(C(=O)OC)n(Cc2ccc(Cl)cc2Cl)n1
+,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,CID807924,CCOc1ccccc1N(CC(=O)O)S(=O)(=O)c1ccccc1
+,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID3245521,COc1ccc(N(CC(=O)N2c3ccccc3CC2C)S(=O)(=O)c2c(C)noc2C)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3240935,COc1ccc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)c(C(=O)O)cn3n2)cc1
+,,,,0.0,,0.0,0.0,,,,,,,,,0.0,CID3244645,CC1CCCC(NC(=O)CCn2c(=O)oc3ccccc32)C1C
+,,,,,0.0,,,,,,,,,,,,CID2208147,Cc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(Cl)cc3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID4884316,O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CC(=O)N(Cc2ccccc2)C1
+,,,,,,,,,0.0,,,,,,,,CID2340723,COc1ccc(CNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID658751,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCN(c2ccccc2)CC1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID4909,CCC1(c2ccccc2)C(=O)NCNC1=O
+,,,,0.0,,,,,,,,,,,,,CID2949729,CCOc1ccc(NC(=O)CC2NCCNC2=O)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID662828,C=CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1ccccn1
+0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,CID664463,CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3cc(F)ccc3OC)CC2)s1
+,,0.0,0.0,,,,,,,,,,,0.0,0.0,,CID5308281,CCOC(=O)N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)CC1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID2998276,CN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N/c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID4585437,O=C1CSCN1c1ccc(Cl)c(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID7372360,COc1ccc(N2CCN(C(=O)CCc3nc(-c4ccc(C)cc4)no3)CC2)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID696535,CCOc1ccc2[nH]c(C)c(CN(C)C)c(=O)c2c1
+,,,,,,,,,,,,,0.0,,,,CID1448653,COc1cccc(N2CCN(CC(=O)Nc3ccc(-n4cnnn4)cc3)CC2)c1
+,,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,,CID2146366,Cc1ccc(CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)o1
+,0.0,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID650738,CCCCC(=O)N(CCOC)c1nnc(-c2ccc(OC)cc2)s1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID659588,O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1-c1cccnc1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2886387,CCOC(=O)C1Cn2c(nc3c(c2=O)C(C)(C)Cc2ccccc2-3)S1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID658728,CC(C)(C)S(=O)(=O)c1c(C(=O)O)cccc1C(=O)O
+,,,,,,,,0.0,,,,,,,,,CID2219049,CCCCn1nnc(NC(=O)CCC)n1
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,0.0,CID649621,O=C(CCn1nnc2ccccc21)N1CCC(O)(c2cccc(F)c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1481603,CSc1nc2ccccc2cc1/C=C(\C#N)c1cccc(C)c1
+,,,,,,,0.0,,,,,,,,,,CID3744541,Cn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2
+,,,,,,,,,,,0.0,,,,,,CID3347951,CNC(=O)C(Sc1nc(C)nc2c1oc1ccccc12)C(C)=O
+,,,,0.0,,,,,,,,,,,,,CID645368,CC(=O)c1ccc(NC2CC(O)C(O)CO2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5347819,O=C(C1=CC2=NC(c3ccc(F)cc3)CC(C(F)(F)F)N2N1)N1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID3809586,Cc1ccc(CNC(=O)CS(=O)CC(=O)O)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2898508,CCOC(=O)C(C(=O)NCC1CCCO1)C1CCCCC1
+,0.0,,,,,0.0,,0.0,,,,,,,0.0,,CID644957,Cc1ccc2c3c(c(SCC(=O)Nc4nonc4C)nc2c1)CCCC3
+,,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID653639,O=C(O)c1ccccc1-c1nc(=O)c2ccccc2[nH]1
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3238613,COC(=O)CCC(C(=O)O)N1C(=O)c2ccccc2C1=O
+,,,,,0.0,,0.0,,0.0,0.0,,,,,,0.0,CID654222,CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2
+,0.0,,,,,,,,,,,,,,,0.0,CID3239581,Cc1cc(NC(=O)Nc2cccs2)no1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID783336,OCCN(Cc1ccccc1)Cc1ccccc1Cl
+,0.0,,0.0,,,,,0.0,,0.0,,,,,,,CID654583,COc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3cccs3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID9551843,CN(CCCNC(=O)C1=CN/C(=C\N=O)C=C1)CCCN(C)Cc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID656255,O=C(Cn1nc(Cl)nc1Cl)N1CCCCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID6324552,O=C1C=CC=C/C1=C1\C=C(C(=O)N2CCCC2)NO1
+,,,,,,,,,,,,,0.0,,,,CID786990,Cc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)ccc1[N+](=O)[O-]
+,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,0.0,CID2853673,COC(=O)C1=C(C)NC(=O)CC1c1cccc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID1186342,CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)CCN1C(=O)c2ccccc2C1=O
+0.0,0.0,,,,,,,,,0.0,0.0,,,,,,CID645562,CCOC(=O)C1CCN(Cc2cn[nH]c2-c2ccc(C)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2233705,COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC(C)C)cc2)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID3239424,CCOc1ccc(C(=O)Nc2cccnc2)cc1Br
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID200283,O=C(c1ccccc1)n1ccc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID786577,CCCn1c(N2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,0.0,,,,,,,,,,0.0,,,,0.0,0.0,CID1262282,Cn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID2997581,CC1CCCCN1CC(=O)Nc1sc2c(c1C#N)CCC2
+,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,CID659419,C=C(C)C1Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C1
+,,,,,,,,,,,,,,0.0,,,CID1284026,COc1ccc(CNC(=O)CN(Cc2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,0.0,,,,0.0,,,0.0,,,CID657697,CCCCOC(=O)Cn1c(=O)c2c(nc3n2CCCCN3c2ccc(C)cc2)n(C)c1=O
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID976348,COC(=O)COc1cccc(NC(=O)c2ccc(C)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2925455,COc1cc2c(cc1NC(=O)CSc1nc3cc(Cl)ccc3s1)oc1ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2507219,CC(=O)Nc1ccc(C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1
+,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,CID2283724,O=C(NCCSCc1ccco1)Nc1ccccc1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3244469,CCOC(=O)N1CCN(C(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID649167,CCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID938529,Clc1ccccc1-c1nn2c(COc3ccccc3)nnc2s1
+,,,,,,,,,,,,,,0.0,,,CID776274,O=C(NCc1cccnc1)c1ccc(Cl)cc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID5061369,CCCCNC(=S)NNC(=O)c1csc(C(C)C)c1
+0.0,0.0,0.0,,,,,,,0.0,,,,,,,,CID3239417,Cc1nc2sc(C(c3cccc(F)c3)N3CCCC(C)C3)c(O)n2n1
+,,,,,,,,0.0,,,,,,,0.0,,CID3237215,CCCN(CCC)S(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2
+,,,,0.0,,,0.0,,,,,,,,,,CID2336012,COC(=O)CNC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+0.0,0.0,,0.0,0.0,,,,,,,0.0,,,0.0,,,CID2999203,Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NCCCn3ccnc3)cc12
+,,,,,0.0,,,,,,,,,,,,CID2878309,O=C1CSC2(C(=O)Nc3ccccc32)N1c1cccc(Cl)c1
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID3244688,O=C(CCC1N=C2c3ccccc3N=C(SCc3cccc(Cl)c3)N2C1=O)NCc1ccco1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID71827,Cc1cccc(Nc2ncccc2C(=O)O)c1C
+,,,,,,,,,,,,0.0,,,,,CID2539361,O=C(OCn1nnc2ccccc2c1=O)c1ccc2c(=O)n3c(nc2c1)CCC3
+0.0,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2153104,Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCN(c5ccccc5)CC4)nc2-3)cc1
+,,,,,,,,,,,,,,,0.0,,CID3244933,CC1(C)CC(=O)C2=C(C1)N(c1ccccc1C#N)C(N)=C(C#N)C2c1cccs1
+,,,0.0,,,,0.0,,,,,,,,,,CID653460,Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)CCC(=O)O)nc2c1
+,,,,,,,,0.0,,,,0.0,,,,,CID2429887,O=C(OCC(=O)N1CCCCCC1)c1n[nH]c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID4880464,N=C1SC(c2ccccc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1
+,,,,,,,,,,0.0,,,,,0.0,,CID660712,Cc1cc(=O)oc(C)c1C(=O)NCCC1=CCCCC1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID3239799,Cc1nccn1CCc1n[nH]c(=S)n1Cc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID753193,CC1CCN(C(=O)Nc2ccc3nsnc3c2)CC1
+,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID3240723,O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)NCc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,,,,,,CID2968941,CCOC(=O)N1CCN(C(=O)COc2ccc(S(=O)(=O)NCC(C)C)cc2C)CC1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2957027,COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)ccc1Cl
+,,0.0,,0.0,0.0,0.0,,,,,,,,,,,CID2873127,COC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cccs1
+,,,,,,,,,,,,,,,0.0,,CID1309065,O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2)CC1
+,,,,,,0.0,,,,,,,,,,,CID4128655,O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Br)ccc2N1
+,,,,,,,,,0.0,,,,,,,,CID2980031,CCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID1784164,Cc1ccc(Cn2ncc3c(NCCCN4CCOCC4)ncnc32)cc1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID3846477,C=CCSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID650193,O=C(Cn1c(C(=O)N2CCN(C3CCCCC3)CC2)cc2sccc21)c1ccccc1
+0.0,0.0,,1.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,,CID1245776,Cc1occc1C(=O)Nc1nnc(-c2ccncc2)s1
+0.0,,,,,,,,,,,,,,,,0.0,CID3241384,CCc1ccc(-c2nc(CN3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)c(C)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4134924,Cc1ccc(CS(=O)(=O)CCC(=O)NCCC(C)C)cc1
+,,,,,,,,,,0.0,,,,,,,CID2590975,CCOc1ccccc1NC(=O)Cc1coc2cc(C)ccc12
+,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID2789524,COc1ccc(CCNc2nc(=O)[nH]nc2C)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2940776,COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID3181195,CCCCn1c(SCC(=O)N(C)C)nnc1-c1ccncc1
+,,,,,,,,,0.0,,,,,,,,CID687351,Cn1c(N)c(C#N)c2c(c1=S)COC(C)(C)C2
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID5310240,O=C(NCc1ccco1)c1cnc2ccccn2c1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID2009147,Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCc1ccccc1F
+,,,,,,,,,,0.0,,,,,,,CID890786,O=C(CCN1C(=O)c2ccccc2C1=O)Oc1ccc2ccccc2c1
+,0.0,,,0.0,,,,0.0,,0.0,0.0,0.0,,,,,CID3241897,O=C(CCNS(=O)(=O)c1cccc2nonc12)N1CCN(c2cccc(Cl)c2)CC1
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID2190717,CCOC(=O)/C(C(=O)c1ccccc1)=C(/N)NCc1ccco1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID654672,CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)N1CCCc2ccccc21
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID908253,Nc1ncnc2c1ncn2CCN1CCCCC1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID3237732,COc1cccc(-n2nnc3c(=O)n(CC(=O)NC4CCCC4)cnc32)c1
+,,,,,,,,,,,,,,0.0,,,CID2790383,Cc1ccc(/C=N/Nc2cn[nH]c(=O)c2Cl)cc1
+0.0,,,,,,0.0,0.0,0.0,,,0.0,,,,,,CID2946767,O=C(NCC1COc2ccccc2O1)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3181348,COCCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1ccco1
+,,,,,,,0.0,,0.0,,,,,,,,CID2854980,Cc1cc(C)n(C(=O)C(C)N2C(=O)c3ccccc3C2=O)n1
+,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,CID2155307,COc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SCC3)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID3236735,CCC1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID663978,CCc1nnc(NC(=O)CCC(=O)N2CCN(C3CCCCC3)CC2)s1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID2998983,CSC1=C(C#N)C(c2cccc(Br)c2)CC(=O)N1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID781047,Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)oc1C
+,,,,,,,,,,,,,,0.0,,,CID2348701,O=C(Nc1ccc(F)cc1)c1c(Cl)nc2ccccn12
+,,,,,,,,,,,,,,,,0.0,CID647617,O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)N1c2ccccc2Sc2ccccc21
+,,,,,0.0,,,0.0,,,,,,,,,CID2997537,O=C(c1ccccc1)N1CCCCC(S(=O)(=O)c2ccccc2)C1=O
+,,,,,,,,,,,,0.0,,,,,CID2997837,COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3473938,O=C(CCN(NC(=O)c1ccccc1)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID2854923,CCSC1=C(C#N)C(c2ccc(C)s2)CC(=O)N1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2325736,O=C(CSCSCC(=O)Nc1ccc2c(c1)OCO2)Nc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,0.0,0.0,,,,,CID673338,COc1ccc2nc(C)cc(N3CCOCC3)c2c1
+,,,,,,,,,,,,,0.0,,,,CID2391336,Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,,,,0.0,CID2249651,COc1cc(CNCc2ccc(OC)c(OC)c2OC)cc(OC)c1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,CID1536964,Cc1ccc(C)n1-n1cnc2scc(-c3cccs3)c2c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID1430797,COC(=O)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,0.0,CID653618,Cc1ccc(NC(=O)CSc2nnc(CSc3nc(C)cc(C)n3)n2Cc2ccco2)c(C)c1
+,0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,CID663874,CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2cccnc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID1821979,Cc1ccccc1NC(=S)NCCOc1ccccc1Cc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID752781,COC(=O)c1cc(-c2ccc(OC)cc2)on1
+,,,,,,,,,,,,,,,,0.0,CID649174,Cc1ccc(CC2SC(=O)NC2=O)cc1Cl
+,,,,,,,,,,,,0.0,0.0,,0.0,,CID2059760,O=C(CCN1C(=O)c2ccccc2S1(=O)=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,0.0,,,,0.0,,,,,,CID3243374,CCOC(=O)N1CCC(Nc2c(Nc3ccc(C)c(C)c3)c(=O)c2=O)CC1
+,,,,0.0,,0.0,,0.0,,,,0.0,0.0,0.0,,,CID662405,COc1ccccc1C(=O)N(Cc1cccs1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2836853,CCOC(=O)C(Cc1ccccc1)C(=O)Nc1cccc(C)c1
+0.0,,,,,,,,,,,,,,,,,CID3238314,CCN(CCCn1c(SCC#N)nc2ccccc2c1=O)c1ccccc1
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,,0.0,CID664096,COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3OC)cc2c1
+,0.0,,0.0,,,,,,,,0.0,,,0.0,,,CID1093810,Cc1ccc(-c2cc(C(=O)Nc3c(C#N)cnn3C)no2)cc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID653298,O=C(Cn1c(C(=O)N2CCc3ccccc3C2)cc2sccc21)c1ccccc1
+,,0.0,,,0.0,,,,,,,,0.0,,0.0,,CID647947,CN(C)c1nc(OCCOC(=O)c2ccccc2)nc(N(C)C)n1
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID652582,COCCn1c(-c2ccc(OC)cc2)cnc1N
+,,,,,,,,,,,,,0.0,,,,CID695270,Cc1cc(C)n(-c2ccc([N+](=O)[O-])cc2-c2nn[nH]n2)n1
+,,,,,0.0,,,,,,,,,,,,CID3909324,Cc1cnc(NC(=O)C2COc3ccccc3O2)s1
+,,,,,,,,,,,,,,0.0,,,CID3649582,O=C1OC(Cc2ccncc2)C(=O)C1=C1NCCCN1
+0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0,CID3237589,CCOC(=O)c1cccnc1SCC(=O)N(C)c1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID659075,Cc1cc(=O)oc(C)c1C(=O)NCC(C)C
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2299889,Cc1cc(OCC(=O)NCCCN(C)C)cc(C)c1Br
+,,,,,,,,,,,,,,0.0,,,CID3794220,CC(CNCC1CCCO1)COc1cccc2ccccc12
+,,,0.0,,,,0.0,,,,,,,,,,CID666677,CC(=O)c1cnc2nc(C)nn2c1C
+0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,,CID5308277,COc1ccc(-c2cc(CCCC(=O)NCc3ccccn3)no2)cc1
+,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID1257917,O=C(Nc1ccc(F)cc1F)c1cc2ncc(Br)cn2n1
+,,,,,,,,,,,,,0.0,,,,CID4880685,CCN1CCN(C(=O)C(C)Nc2ccc(OC)cc2OC)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID986500,Cn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1
+,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID1259788,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CCSCC4)c3n2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID3240990,CC1CCCN(C(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID760402,CCOc1ccc2c(c1)ncn2Cc1ccccc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1162877,O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1CN1CCOCC1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3244149,CCN(CCCNC(=O)CN1C(=O)COc2ccccc21)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2912155,Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccccc2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID1854956,Cc1ccccc1N1CCN(c2ncnc3scc(-c4cccs4)c23)CC1
+,,,,,,,0.0,,,0.0,,,,,,,CID3239485,CCCCOc1ccc(OCCCC)c2c1NC1(N2)C(=O)N(C(C)=O)c2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID3374468,O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1
+,,,,,,,0.0,,,,,,,,,,CID3237347,COc1ccccc1NC(=O)CN1C(=O)C2(OCCCO2)c2ccccc21
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID2314716,COC(=O)c1nc(NC(=O)C(C)C)n[nH]1
+,,,,,,,,,,0.0,,,,,,,CID4690553,COc1ccc(NS(=O)(=O)CC23CCC(CC2=O)C3(C)C)cc1
+,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID2559952,O=c1[nH]nc(Sc2ncnc3sccc23)n1CCc1ccccc1
+,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID3242352,COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCNC(C)=O)c(OC)c1
+,,,,,,,0.0,,0.0,,,,,,,,CID659098,Cc1cccc(NC(=O)c2c(C)cc(=O)oc2C)n1
+,,,,,,,,,,,0.0,,,,,,CID869582,COc1ccc(C(=O)N/N=C/c2cccc3cccnc23)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID654406,COc1ccccc1N1CCN(C(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID5008576,O=C(CN1CCOc2ccccc21)N1CCCC1
+0.0,,,,,,,,,,,,,,,,,CID649400,Fc1ccc(N2CCN(C(c3cccs3)c3nnnn3CCc3ccccc3)CC2)cc1
+,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID564425,O=C1CC(C(=O)Nc2ccccc2)C2(CCCC2)O1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID2817097,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1Cl
+,,,,,,,0.0,0.0,0.0,0.0,,,,,,,CID5310284,CCCc1nc(SC2CCCC2)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,,0.0,0.0,,,,,,,,,,CID663961,CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N
+,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,CID665192,C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1
+0.0,,,0.0,,,,,,,,0.0,,,,,0.0,CID666059,COc1cc2c(cc1OC)CN(CC(=O)Nc1cccc(C)c1)CC2
+,,,,,0.0,,,,,,,,,0.0,,,CID3241567,CCOc1ccc(Cn2c(SCCCCC#N)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC
+,,,,,,,,,,0.0,,,0.0,,,0.0,CID1143548,Cc1cc(Br)c(S(=O)(=O)NCCN2CCOCC2)cc1C
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID2231483,CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1
+0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,0.0,,CID2023595,COc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1
+,,,,,,,,,,,,,,0.0,,,CID2968424,COc1ccc(N2CCN(C(=O)c3cccnc3)CC2)c([N+](=O)[O-])c1
+0.0,,,0.0,,,,,,0.0,,,,,,,,CID663149,Cc1ccc(-c2nnc(OCCN3CCOCC3)c3ccccc23)cc1
+,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,CID651020,O=c1c(CN2CCCCC2)c(O)oc2ccccc12
+,,0.0,,,0.0,,,,,,,,,0.0,,,CID828791,Cn1cccc1CN1CCN(C(=O)COc2ccccc2)CC1
+,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,0.0,,CID2055860,CCN(CC)c1cc(Oc2ccccc2)ncn1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1347756,O=S(=O)([N-]c1nc2ccccc2nc1-[n+]1ccccc1)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2889028,COc1ccc(NC(=O)CC(C)C)c([N+](=O)[O-])c1
+,,,,,,,,,,,0.0,,,,,,CID2432862,N#Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1229485,Cc1cccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)n1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID646625,O=C(O)c1cccn2c(=O)c3ccccc3nc12
+,,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0,CID891975,O=C(Nc1ccc(Cl)cc1C(=O)N1CCOCC1)c1ccco1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID3244657,CCC(C)(C(=O)Nc1ccc2c(c1)OCCO2)N(C(C)=O)c1ccc(C(N)=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245837,O=C(CN1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)Nc1ccccc1F
+,,,,,,,,,,0.0,,,,,,,CID2865033,CCCCC1CC(C)(C(=O)CSc2nc3ccccc3s2)OC1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID1391250,N=C1SCC(=O)N1c1nc(-c2ccccc2)cs1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID1122471,O=S(=O)(c1ccc(Cl)cc1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1
+0.0,,0.0,,,,,,,,,,,0.0,,,0.0,CID1178067,Cc1cc(=O)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1
+,,,,0.0,,,,,,,,,,,0.0,,CID3235642,CCCn1c(CNC(=O)Cc2ccccc2)nc2ccccc21
+,,,,,,,,,,,,,,,,0.0,CID649371,Cc1cccc2cc(CN(Cc3ccco3)C(c3nnnn3CCc3ccccc3)C(C)C)c(=O)[nH]c12
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID2155097,CCCCN(CCCNc1ncnc2nc[nH]c12)c1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3238956,O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CCC(=O)N1C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2205574,COC(=O)COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1
+,,,,0.0,,,,,,,,,,,,,CID3241263,COc1ccccc1-c1cc(C(F)(F)F)nc(NCc2ccco2)n1
+,0.0,,,,0.0,0.0,,,,,,,,,,,CID5308345,Cc1nc2ccccc2c2oc(C(=O)NCCN3CCN(C)CC3)cc12
+,,,0.0,,,,0.0,,,,,0.0,0.0,0.0,,,CID960575,COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)coc2c1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID3240757,O=C(Cn1ncc2c3ccccc3n(Cc3ccccc3)c2c1=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID3211569,COc1ccc(C(C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)CNC(=O)c2ccco2)cc1
+,0.0,,,,,,,,,,,0.0,,,,,CID912400,COc1cc(OC)c(C(=O)NC2CCCCCC2)cc1OC
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID1260737,COc1ccc(S(=O)(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cc1
+,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,,CID662027,CC1(C)CC(=O)C(=CNc2ccc(Cl)cn2)C(=O)C1
+,,,,,,,,,,,,,,,0.0,,CID2997948,N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12
+,,,,,,,,,,,,,,,0.0,,CID5308820,CC1=C(C(N)=O)C(c2ccccn2)N2NC(c3ccccc3Cl)=NC2=N1
+,,,,,,0.0,0.0,,,,,,,,,,CID3616,CC(=O)NCCCCCCNC(C)=O
+0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,,,CID2273186,N#Cc1c(NC(=O)CCCN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2406810,COc1ccc(/C=C/C(=O)OCC(=O)NCc2ccco2)cc1OC
+,,,,,,,0.0,,,,,0.0,,,,,CID5389414,C=CCOc1cccc(C2/C(=C(\O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)c1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID3236536,N#Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2ccccc21
+,,,0.0,,,,,,,,,,0.0,,,,CID653363,O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,0.0,,,,,,,,,,CID5389050,Cn1ncc(N/C=C2\C=CC=CC2=O)c1C(=O)N1CCOCC1
+,,0.0,,,,0.0,,,,,,,,,,,CID3242525,COC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
+,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID799571,CCCc1cc(=O)nc(SCc2ccc(C#N)cc2)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID3139106,Cc1cc(C)cc(CSCC(=O)N/N=C/c2ccc(OCC(=O)NCc3ccco3)cc2)c1
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID2998151,CC1(CCc2ccccc2)NC(=O)N(Cc2nnc(-c3ccccc3Br)o2)C1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID657659,COn1c(C)c(C(C)=O)c2c3nonc3ccc21
+,,,,,,,,,,,,,,0.0,,,CID16187344,CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2cnc(C)s2)CC1
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+,0.0,0.0,0.0,,,,,,,,,,,,,,CID665542,CCOC(=O)CSc1nnc(C(CC(C)C)NC(=O)OC(C)(C)C)o1
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+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID900740,Cn1nnc2cc(C(=O)NC3CCCCC3)ccc21
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+,,0.0,,,,,,,,,,,,,,,CID645616,Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(=O)c2ccccc2)n(C)c1=O
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+,0.0,,,,,,,,,,,,,,,,CID664125,N#CCSc1n[nH]c2nc3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3
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+,,,,,0.0,,,,,,,,,,,,CID3243647,COc1ccc(-c2cc(C(=O)NC(C)C)no2)cc1
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+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID652318,O=C(NCCN1CCOCC1)c1cccs1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID667126,COCc1cc(=O)n2[nH]c(SC)nc2n1
+,0.0,,,,0.0,,,,,,,,,,,,CID2572735,Cc1cc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)no1
+,,,,,,,,,,,,,,0.0,,,CID15945042,CCOC(=O)CN/C=C(\C#N)c1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID3236484,Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCN(c5ccccc5)CC4)cnc32)cc1
+,,,,,,0.0,,,,,,,,,,,CID5742509,Cc1cc(C2=CC(C)(c3cc(C)oc3C)N=C3N=C(C(F)(F)F)NN23)c(C)o1
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+,,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID2850672,CCOc1ccc(C(=O)NCC2CCCO2)cc1
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+,,,,,0.0,,,,,,,,0.0,,,,CID1486264,Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)cc2)cc1
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+,,,,,,,,,0.0,0.0,,,,,,,CID1138761,CCOc1cc(NS(=O)(=O)c2ccc(OC)cc2)c(OCC)cc1NC(=O)c1ccco1
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+,,,,,0.0,,,,,,,,,,,,CID2886044,CCOc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1Cl
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,CID3236861,Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C)on2)c1
+,0.0,,,,,,,,,,,,0.0,,,,CID5310139,Cc1c(S(=O)(=O)Nc2cccc(Cl)c2)c(=O)n(C)c(=O)n1C
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+0.0,,,,,,,,0.0,,,,,,,,0.0,CID644523,COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)CN1CCCCC1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID658548,CCCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID16193531,COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)c(OC)c1
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+0.0,,,,0.0,,,,,0.0,,,,,,,,CID650382,CC(C)(C)NC(=O)CN(C(=O)CS(=O)CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1
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+,,,,,,,,0.0,,,,,,,,0.0,CID872094,COc1ccc(C(=O)/C=C(\N)C(F)(F)F)c(O)c1
+,,,0.0,,,,,,,,,,,,,,CID645186,CCCCCCn1c(SCC(C)C)nc2c1c(=O)[nH]c(=O)n2C
+,,0.0,,,,0.0,,,,,,,,,,,CID3237739,Cc1oc(-c2ccccc2F)nc1CSCC(=O)NCc1ccc2c(c1)OCO2
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID2828274,O=C1Nc2ccccc2C(O)(C(=O)N2CCCCC2)N1c1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID5309440,CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC(=O)N2CCOCC2)C1
+,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,CID976825,CCOc1ccc(Cl)cc1S(=O)(=O)n1nnc2ccccc21
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+,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,0.0,CID2524581,COc1ccc(-n2cnnc2SCCC#N)cc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID653181,N#CCCN(Cc1cccnc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID3239367,CC(C)(C)n1ncc2c(=O)n(CC(=O)NCCc3ccccc3)cnc21
+,0.0,,,,,,,,,,,,,,,,CID976952,Cc1ccc(N(C)C(=O)N2CCN(c3ccccn3)CC2)cc1
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+,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID654546,CCc1ccc(N2CC(C(=O)NC3=NCCS3)CC2=O)cc1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2998103,CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)N2CCCCC2C)c1C
+,,0.0,0.0,,,,,,,,,,,,,,CID664434,COC(=O)C1=C2SC(C)C(=O)N2C(N)=C(C#N)C1c1ccc(OC)c(OC)c1
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+,,,,,,,,,,,,0.0,,,,,CID3240249,COc1ccccc1Cn1[nH]nc2c(=O)nc(C3CCN(C(=O)c4ccccc4Cl)CC3)nc1-2
+0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,CID655531,COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3)n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2907915,CN(C)c1ccc(C(CC(=O)c2ccccc2)C2CCCCC2=O)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID3243777,O=c1cc(N2CCC3(CC2)OCCO3)[nH]c(=O)n1-c1ccc(Cl)cc1
+,0.0,,,,0.0,,,,0.0,,,,,,,0.0,CID3245390,CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1
+,,,,0.0,,0.0,,,0.0,,0.0,,,,,,CID2834801,CCc1noc2c1/C(=N/O)CC(c1ccccc1)C2
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+,,,,,0.0,,,,,,,,,,,,CID2501631,C=CCn1c(C)cc(C(=O)CSc2nnc(NC(C)C)s2)c1C
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+,,,,,,,,,,,,,,0.0,,,CID5583869,CCCCN1C(=O)/C(=C/Nc2cc([N+](=O)[O-])ccc2OC)C(=O)N(CCCCl)C1=O
+,,,,,,,,0.0,,,,,,,,,CID3170090,O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)CC1CCCO1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID649329,COc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(F)ccc32)CC1
+,,,,,,,,,,,0.0,,,,,,CID892616,Cc1ccc(C(=O)n2cnnc2N)cc1
+,,,,,,,,,,,,,,,,0.0,CID645087,CCOC(=O)C1C2C=CC3(CN(c4ccccc4CC)C(=O)C13)O2
+,,,,,,,,,,,,0.0,,,,,CID644665,N=c1c2c3c(sc2ncn1N)CCCCC3
+,,,,,,0.0,0.0,,,,,,,,,,CID5310369,CCOc1ccc(-n2nnc3c(=O)n(CC(=O)c4ccccc4)cnc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID4178581,Cc1ccc(C)c(N(C)C(=O)c2coc(=O)c3ccccc23)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID2601922,CCOc1ccc(NC(=O)CSc2nnc(C3CC3)n2N)cc1
+0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,,,CID711452,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1250764,COc1cc(Br)cc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O
+0.0,,0.0,0.0,,,,,,0.0,,,,,,,,CID647371,COc1nc(OC)nc(N2CCC(C(=O)NCC3CCCCC3)CC2)n1
+,,,,,,,,,,,0.0,,,,,,CID718483,COc1ccc(/C=C/C(=O)NC(C)C)cc1Br
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID5309669,COc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC
+,,,0.0,,,0.0,,0.0,,,0.0,0.0,,0.0,,,CID970916,O=C(Nc1cccnc1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID930274,c1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID16192011,O=C(C1CC12CCCC2)N1CCC(CO)(Cc2ccccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID3782482,O=C(Nc1cccc(Cl)c1)C1C2CCC3C(CCC21)C3(Cl)Cl
+,,,,,,,,,,,,,,0.0,,,CID2767947,C/C(=N\O)c1sc(-c2ccccc2)nc1C
+0.0,,,,,,,,0.0,,,,0.0,,,,0.0,CID2228581,O=C(Nc1cccc2cccc(NC(=O)c3ccco3)c12)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1476234,Cn1c(CO)cnc1SCC(=O)c1ccc(Br)cc1
+0.0,,,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,CID649038,COc1ccc(C(=O)CSc2nnnn2Cc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3147269,CCC(Sc1nc2ccccc2s1)C(=O)Nc1cc(C)on1
+,,,,,,,,,,,,0.0,0.0,,,0.0,CID2980948,O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1ccco1
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+,,,,,,,,,,,,,,0.0,,,CID3245856,COc1ccc(C2C(C(=O)NCCN(C)C)c3ccccc3C(=O)N2C)cc1OC
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID748291,CC1(C)CC(=O)C(=CNc2ccccc2)C(=O)C1
+,0.0,,,,,,,,,,,,,0.0,,,CID2254367,Cc1ccc2nc(S(=O)(=O)O)[nH]c2c1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID660188,Cc1[nH]c2ccccc2c1C(=O)CN1CCCCC1CCO
+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID3239164,CCOC(=O)C1CCCN(C(=O)c2cn(C)c3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)C1
+,,,,,,,,,,,,,0.0,,,,CID4282381,CCC1Cc2c(nc(N)c3c(N)nc(N4CCOCC4)c(C#N)c23)O1
+,,0.0,,,,,,,,,,,,,,,CID5390011,CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(C(=O)O)cc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2998472,Cc1ccc(N(CC(N)=O)C2SC(=O)NC2=O)cc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID5310273,COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID901334,Cc1c(C(=O)N(C)C)c2cc(Cl)ccc2n1O
+,,,,,,,,0.0,,,,,,,,,CID656119,O=C(NCc1ccco1)c1ccc(COCC(F)(F)C(F)F)cc1
+0.0,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,CID749387,CC(=O)Nc1ccc(NC2=CC(=O)CC(C)(C)C2)cc1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,,CID665780,Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID9551535,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccccn4)C3)ccc21
+0.0,,,,,,,,,,,,,,,,,CID5308849,O=C(c1cnn(-c2ccccc2)c1-n1cccc1)N1CCN(C2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID858781,CC(=O)c1cc2c(cc1NS(=O)(=O)c1ccc(F)cc1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID4894936,O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccccc1)CC2=O
+,,,,,,,,,,,,,,0.0,,,CID2877817,CC(NC(=O)Cc1ccccc1)C1COc2ccccc2O1
+,,,,,,,,,,,,,,0.0,,,CID661866,CSc1nc(C)c2c(c1C#N)CCCC2
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID3244591,CC(C)CCn1c(SCC#N)nc2c(sc3ccccc32)c1=O
+,,,0.0,0.0,,0.0,,,,,,,0.0,,,,CID645083,O=C(Nc1nc2c(s1)CCCC2)c1cccs1
+0.0,,,,,,,0.0,0.0,0.0,,,,,,0.0,,CID652682,C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2Cc2ccncc2)c1
+,,,,0.0,,,,,,,,,,,,,CID3236803,CS(=O)(=O)c1nc(-c2ccccc2)cc(C(F)(F)F)n1
+,,,,,,,,,,,,0.0,0.0,,,,CID1246875,COC(=O)c1sccc1NC(=O)c1cc2c(s1)CCCC2
+,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,,CID774752,COc1ccccc1CNC(=O)C1CCN(S(C)(=O)=O)CC1
+,,,,,0.0,,,,,,,,,,,,CID1450722,Cc1ccccc1Cn1c(C(=O)OC(C)C)cc2c1ccn2C
+,,,,,,,,,,,,,0.0,,,,CID952256,COc1ccccc1C(=O)NC(=S)N1CCc2ccccc21
+,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,CID3238813,COc1ccc(-c2cc(C(=O)Nc3cccc(C(C)=O)c3)no2)cc1
+,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,CID817422,Cc1ccc(N(CC(=O)NCc2cccnc2)S(C)(=O)=O)cc1C
+,,,,,,,,,,,,,0.0,,,,CID16191967,CCN1CC(CN(C)Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1=O
+,,,,,,,,,,0.0,,,,0.0,,,CID1474584,COc1ccc(CN2CCn3ncc(C(=O)Nc4ccccc4)c3C2=O)cc1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID2480363,COc1ccc(-n2cnnc2SCC(=O)NCc2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID972269,COC(=O)c1ccc(OCC(=O)Nc2ccsc2C(=O)OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID786264,Cc1ccccc1CN1CCN(S(C)(=O)=O)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID824234,Cc1ccnc(NCn2nnc3ccccc32)c1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID649982,CC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID664691,CC1(C)Cc2c(sc3nc(SCC(=O)N4CCOCC4)nc(N)c23)CO1
+,,,,,,,,,0.0,,,,0.0,,,,CID6413198,CC(C)CC(=O)NN(C)c1nc(-c2ccccc2)nnc1C(F)(F)F
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID684323,CCn1c2c(c3cc(Cl)ccc31)CCCC2=O
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID3019,CC1=NS(=O)(=O)c2cc(Cl)ccc2N1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID3236885,CCN(c1cccc(C)c1)S(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID2964919,COc1cc2c(cc1OC)C(c1ccsc1)CC(=O)N2
+,0.0,,,,,0.0,,,0.0,,,0.0,,,0.0,,CID2230317,COc1ccc(CCNC(=O)CN(C2CCCCC2)S(C)(=O)=O)cc1OC
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID2099188,COc1ccc(C(=O)N(Cc2ccco2)Cc2cccs2)c(O)c1
+,,,,,,,,,,,0.0,,,,,,CID3421589,Cc1ccc(C(=O)O/N=C/C2=C(Cl)c3ccccc3CC2)cc1
+0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,,0.0,CID648535,CCOc1ccccc1NC(=O)N1CCC(c2nc3ccc(C)cc3[nH]2)CC1
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,CID3236025,COc1ccc2sc(NC(=O)c3ccco3)nc2c1
+,0.0,,,,,,0.0,0.0,,0.0,,,,,0.0,,CID2217778,CN(C)S(=O)(=O)N(CC(=O)NCc1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID720545,Cc1ccsc1C=C1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,0.0,,,,,,CID878889,Cc1cccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)c1
+,,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,CID2165506,CCOC(=O)NCc1ccc(CNC(=O)OCC)cc1
+,,,,,,,,,,,,0.0,,,,,CID2951449,CN(C)c1oc(COc2ccc(F)cc2)nc1C#N
+,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,CID1231838,O=S(=O)(NCC1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccccc1
+,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,CID2968841,CS(=O)(=O)N(CC(=O)NCCSC1CCCCC1)c1ccc2c(c1)OCO2
+0.0,,,,,,,,,,,,,,,,,CID1339916,COc1ccc(Nc2nc(OC)nc(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244096,CN1C(=O)NC(c2cccc(O)c2)C(C(=O)c2cccs2)C1(O)C(F)(F)F
+,,,,,,,,,,,,,,0.0,,,CID2216364,O=c1c2ccccc2ncn1CCOCCOc1ccc([N+](=O)[O-])cc1
+,,0.0,,,,0.0,,,,,,,0.0,,,,CID2103679,CCOc1ncccc1C(=O)OCc1ccc(C(=O)OC)o1
+,,,,,,,,,,,,,0.0,,,,CID1082609,CS(=O)(=O)N1CCC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1
+,,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,CID666702,O=C1NC(=O)C2(Cc3ccccc3N3CCCC32)C(=O)N1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1830938,COc1ccc(C(C)=O)cc1CSCCC#N
+,,,,,,,,,,,,,0.0,,,,CID973791,COc1cc(OC)c(C=O)c(OC(=O)N(C)C)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID979983,Cc1ccc(Cc2nnc3n(-c4ccccc4)nc(C(=O)c4ccccc4)n3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID5595842,CN1C(=O)C(=CNCCN2CCNCC2)C(=O)N(C)C1=O
+,0.0,,0.0,,,,,0.0,,,,,,,0.0,,CID1250673,Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc3[nH]c(=O)[nH]c3c2)n1
+,,,,0.0,,0.0,,,,,,,,,,,CID2998511,CC(=O)/C=C(\C)NC(Cc1c[nH]c2ccccc12)C(=O)O
+,,,,,0.0,0.0,,0.0,,,,0.0,,,,,CID5389464,COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccc(C)cc2)cc1Cl
+,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,CID2156188,CCOc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID829849,COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)cc1C(=O)O
+,,,,,,,,0.0,,,,,,,,,CID3241479,CC1Cc2ccccc2N1C(=O)CSCC(=O)O
+,,,,,,,,,,,,,0.0,,,,CID2218435,COCCSc1ccccc1C(=O)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,,,,0.0,CID3225304,Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2sccc21
+0.0,,,,0.0,,0.0,,,,,,,,0.0,0.0,,CID1267747,Cc1ccc(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)o1
+,,,,,,,,,0.0,0.0,,,,,,,CID2227071,CCNS(=O)(=O)c1ccc(NC(=O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2890160,CC1CN(c2ccc([N+](=O)[O-])cc2Cl)CCN1S(=O)(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID11958670,CCCCNC(=O)c1onc(CSc2cccc(OC)c2)c1C(=O)O
+,0.0,,,0.0,,,,,,,,,,,,,CID654365,CCCN1c2cccc3cccc(c23)S1(=O)=O
+,,0.0,,,,,0.0,,,,,,,,,,CID3241405,CCOC(=O)N1CCC(NC(=O)c2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc2F)CC1
+,,0.0,,,,,,,,,,,,,,,CID659230,COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3F)C21
+0.0,,,,,,0.0,,,,,,,,,,,CID1972861,N#C/C(C(=O)N1CCOCC1)=C1/SC=C(c2ccccc2)N1c1ccccc1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID2923447,Cc1ccc(OCCOCCn2ccnc2)c(Br)c1
+,,,,,0.0,,,,,,,,,,,,CID2225627,Cc1ccc(OCCNC(=O)c2cccc3ccccc23)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2668570,O=C(NCc1ccc(F)cc1)c1ccc(Br)o1
+,,,0.0,,,,,,,,0.0,,0.0,,,,CID869095,Cc1onc(-c2ccccc2)c1C(=O)Nc1cccc(OC(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID1719992,Cc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)nc1
+,,,,,,,,,0.0,,,,,,,,CID1106072,Cc1c(NC(=O)c2ccc3c4c(cccc24)CC3)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID1732500,CCCCCCSc1nsc(NC(=O)CC(C)C)n1
+,,,,,,,,,,,,,,0.0,,,CID7196638,Cc1ccc(C)c(NC(=O)CSc2nnc(C)c(=O)n2N)c1
+,,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,CID206388,CCN1C=CC(=C2C(=O)c3ccccc3C2=O)C=C1
+,,,,,,,,,,,0.0,,,,,,CID2974110,CC(C)c1ccc(/N=c2/c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID666033,CCCc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
+,0.0,,,,,,,,,,,,,,,0.0,CID5308050,COc1ccc(CCNC(=O)C2(C)CCC(=O)N2CCC(C)C)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID3335216,COC(=O)c1cc(=O)nc2scc(C)n12
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,CID2950805,CCOc1cc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc(OCC)c1OCC
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID9551554,COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccccc5)n4n3)CC2)cc1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID3237368,CCN(CC)CCOC(=O)c1ccc(NC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1258799,O=C(Cn1ccc([N+](=O)[O-])n1)Nc1nccs1
+,,,,0.0,,,0.0,,,,,,,,,1.0,CID3244834,CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1cccc(C)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID882356,CCOc1ccc(CC(=O)NCCc2ccccc2)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID2540773,Nc1cc(N)nc(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1
+,,0.0,,,,,,,,,,,,,,0.0,CID762676,CCc1cc2c(SCC(=O)O)ncnc2s1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3244881,COc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID1262770,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccs3)CC2)cc1C
+,,,,,,0.0,0.0,,,,,,,,,,CID5310342,O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2982122,COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
+,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,CID2999715,COC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCC(C)C2
+0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,CID658247,COc1ccc(O)c(-c2c(-c3ccc(Cl)cc3)n[nH]c2C)c1
+,,,,,0.0,,,,,,,,,,,,CID11958549,CCCCNC(=O)c1onc(CSc2ccc(OC)cc2)c1C(=O)O
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID2545881,c1cnc(Oc2ccc(-c3nnco3)cc2)cn1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID663569,CN(C)CCNc1oc(COc2ccc(-c3ccccc3)cc2)nc1C#N
+,,,,,,,,,,,,0.0,,0.0,,,CID3635174,CC(=O)N1CCc2c(sc(NC(=O)CN3C(=O)CCC3=O)c2C(N)=O)C1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,0.0,0.0,CID655904,CCCC(=O)N(C)c1nnc(-c2ccc(OC)cc2)s1
+,,,0.0,,,,,,,,,,,,,,CID654572,Cc1cc(C)cc(NC(=O)C2CCCN(c3nccc(C)n3)C2)c1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID3240188,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1-c1ccc(Cl)cc1
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID663717,CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID3092794,C(=N/Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)\c1ccncc1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID1970901,O=c1nc(N2CCc3ccccc3C2)[nH]c2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2087887,Cc1csc(SCC(=O)Nc2sccc2C#N)n1
+,,,,,,,,,,0.0,,,,,,,CID1387044,CC1(C)Cc2c(c(N3CCOCC3)nc3snc(NC(=O)c4ccccc4)c23)CO1
+0.0,,,,,,0.0,0.0,,,,,,,,0.0,,CID2940938,c1ccc(CSc2nnc(-c3ccco3)c(-c3ccco3)n2)cc1
+,,,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID689600,Cc1ccc(NC(=O)c2ccco2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID5737491,CCCCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C/C=C/c4ccccc4)CC3)C2=O)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID4476802,O=C(O)CC12CSc3[nH]c(=O)sc3C1c1ccccc1OC2=O
+,,,,,0.0,,,,,,,,,,,,CID3244694,CC(=O)/N=c1\sc2c3ccccc3ccc2n1C
+,,,,,,0.0,,,0.0,,,,,,,,CID650046,COc1cccc(C(c2nnnn2CCc2ccccc2)N2CCN(c3ccccc3)CC2)c1OC
+0.0,,,,,,,,,,,,0.0,,,,,CID2622821,Cc1cc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCC4)C3=O)c2C)no1
+,,,,,,,,,,,,,0.0,,,,CID6096089,O=C1C=CC(NC(=O)c2cccs2)=C/C1=C1\Nc2ccccc2S1
+,,,,0.0,,,,0.0,0.0,0.0,,,,,,,CID3239525,O=S(=O)(NCC(c1cccnc1)N1CCOCC1)c1cccs1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3197323,Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID800157,COc1ccc(C(=O)NCc2cccnc2)cc1Br
+,,,,,0.0,,,,,,,,,,,,CID2827798,CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID2103165,CCCCNC(=O)Nc1ccnn1C1CCCCC1
+0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,,0.0,CID3237075,O=C(Nc1ccc2oc(Cc3ccc(Cl)cc3)nc2c1)c1cccnc1
+0.0,,,,0.0,0.0,,,,,,,0.0,,,,,CID894041,C=C1c2cc(CC)ccc2NC(=O)N1c1ccc(C)cc1
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,,CID2057538,Cc1nc(-c2ccccc2)cc(N2CCCC2)n1
+,,,,,,,,,,,,,,0.0,,,CID724235,CC1CCN(C(=S)NC2CCCCC2)CC1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,0.0,CID304273,O=C(O)CC(NC(=O)OCc1ccccc1)c1ccccc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2851638,COC1CCCCC1Nc1cc(C)cc(C)c1
+,,,,0.0,,,,,,,,,,,,,CID645010,CCC(C)(C)NC(=O)C(OC(=O)c1cc2sccc2n1C)c1ccc(OC)cc1
+,,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,,CID644824,CC1CCCCC1NC(=O)CSc1nnc(-c2ccccc2)n1N
+,,,,,,,,,,,,,,0.0,,,CID1938572,O=C(COc1ccccc1)NCc1nnc2c3ccccc3c(-c3ccccc3)nn12
+,,,,,0.0,,,,,,,,,,,,CID2891527,O=C(C1=C(O)C(=O)N(c2nncs2)C1c1cccc([N+](=O)[O-])c1)c1cccs1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID663526,CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0,0.0,CID650452,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID5309386,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID2818896,CC(C)(C)c1ccc(-c2cc(N)n[nH]2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID649666,CN1C(=O)c2cccc(N(C)C)c2C1=O
+,,,,,,,,,,,,,,,,0.0,CID984655,COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID1366713,Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(Br)cn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4261341,COc1ccc(C(=O)OCC2CC(c3ccccc3)N(C)O2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1416734,O=C(COc1ccccc1/C=C1\SC(=O)NC1=O)Nc1ccc(F)cc1
+,,0.0,,,,,0.0,0.0,,,,,,,,0.0,CID3154408,CCCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cc(C)cc(C)c3)cc2)C1
+0.0,,,,,,,,,0.0,0.0,,,,,0.0,,CID1246748,COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1
+,,0.0,,0.0,,,,,,,,,,,,,CID665322,Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1
+,,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID655273,CCOC(=O)c1sc(SCC(=O)Nc2ccc(N(C)C)cc2)nc1N
+,0.0,,,,,,,,,,,,,,0.0,,CID2977899,O=C(Nc1cc(Cl)ccc1O)C1CCCO1
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+,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,,,CID2059722,O=C(CCSc1ccccc1)NCCSc1ccccn1
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+,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,0.0,0.0,CID644942,O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)NCc1cccs1
+,0.0,,,,0.0,,,0.0,,,,,,,0.0,,CID3239172,COCCCNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
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+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2941550,CC1CC(C)CN(c2oc(-c3ccccc3Cl)nc2C#N)C1
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+,,,,,,,,0.0,0.0,,,,,,,0.0,CID665204,O=C(NCCNC(=O)C(F)(F)F)c1ccncc1
+,,,,0.0,,,,,,,,,,,,,CID2112966,Cc1cccc(OCCOC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,,CID658669,CCN(CC)c1ccc2cc(-c3nnc(-c4ccncc4)o3)c(=O)oc2c1
+,,,,,,,,,,,,,0.0,,,,CID4154351,O=C(Cc1ccccc1)Nc1nnc(-c2ccco2)o1
+,,,,,,,,,,,,,0.0,,,,CID1087425,CCn1c(O)c(C(=O)NNS(=O)(=O)c2ccc(C)cc2)c(=O)c2ccccc21
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5204342,Cc1csc2ncc(C(=O)NC(C)c3ccccc3)c(=O)n12
+,,,,,,0.0,,,,,,,,,,0.0,CID2845711,CCOc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1O
+,0.0,,,,,,,0.0,,,,,,,,,CID662833,O=C(NCCCN1CCOCC1)C1(c2ccccc2)CCOCC1
+,,,,,,,,1.0,,,,,,,,,CID9551108,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID2104440,O=C(Nc1nnc(-c2cccs2)o1)c1ccco1
+,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,CID1145408,O=C(O)CCCC(=O)N1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1
+,,,0.0,,,0.0,,,,,,,,,,,CID658094,CN1CCc2nc(SCC(=O)OC(C)(C)C)c(C#N)cc2C1
+,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,0.0,,,CID976135,CCOc1ccc(-c2nc(-c3ccncc3)no2)cc1OCC
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID646397,CCOC(=O)CSc1nnc(C)n1N
+,,,,,,0.0,,,,,,,,,,0.0,CID2582422,CCOc1cc(C(=O)Nc2ccc3c(c2)OCO3)ccc1OC(F)F
+,,,,,,,,,,,,,0.0,0.0,,,CID850074,CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCOCC1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID647793,CCCSc1nsc(SCCC)c1C(N)=O
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID5310125,O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1ccc2c(c1)OCCO2
+0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,CID3240523,Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCCC(C)C3)cc2s1
+0.0,0.0,,,,,,0.0,,,,0.0,,,,,,CID3237129,Cc1cccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1
+,,0.0,,,,,,,,,,,,,,,CID3239609,CCC(C)NC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID893116,Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2216436,O=c1c2ccccc2ncn1CCCOc1ccccc1[N+](=O)[O-]
+,,,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,CID3244023,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2ccc3c(c2)OCCO3)C1
+,,,,,,,,,,0.0,,,,,,,CID3199035,COCCn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1536986,Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C)c3)cc2s1
+,0.0,,,,,,,,,,,0.0,,,,,CID660801,COC(=O)COc1nc(C)c2c(c1C#N)CC(C)(C)OC2
+,,,,0.0,,,,,0.0,,,,,,,,CID664994,CSc1nc(SCC(N)=O)c2c3c(sc2n1)CN(C)CC3
+,,,,,,,,,,0.0,0.0,,,,,,CID2257388,Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc(Br)cc1
+0.0,0.0,,,,0.0,,,,,,,,,,,0.0,CID3243930,COc1ccc(C(=O)N(CN2CCCC2=O)c2nccs2)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID3000114,CN1CCN(C(c2cccnc2)c2ccc3cccnc3c2O)CC1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID667110,Cc1cc2nc(NC3=NCN(Cc4cccnc4)CN3)nc(C)c2cc1C
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID1256853,C=CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)O
+,,,,,,,,,,0.0,,,,,,,CID2042966,COc1cccc(NC(=O)CSc2ncnc3c2cnn3Cc2ccccc2)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID3237915,CCOC(=O)C1CCCN(C(=O)CN2C(=O)C(CC)Oc3ccc(C)cc32)C1
+,,,,,0.0,,,,,,,,,,,,CID1266826,C=CCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID658277,CN(C=C1C(=O)CC(C)(C)CC1=O)CCN1CCNCC1
+,,,,,,,,,,,,,,0.0,,,CID2767963,C=CCNC(=O)c1sc(SC)cc1-c1ccc(Cl)cc1
+0.0,,,0.0,,,0.0,,0.0,,,,,,,,,CID645163,Cc1cc2cc(CN(Cc3ccco3)C(=O)C3CCCCC3)c(=O)[nH]c2cc1C
+,,,,,,,,0.0,,,,,0.0,,,,CID1015202,Cc1cc(C)nc(SCCS(=O)(=O)Cc2ccc(Cl)cc2)n1
+,,,,0.0,,,,,,,,,,,,,CID649416,CCOC(=O)C1=C(C)NC(=O)C(C(N)=O)C12CCCCC2
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID669272,O=S(=O)(Cc1ccccc1)NCc1ccccn1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID1127070,O=C(Nc1cccc(O)c1)c1ccc(Br)c(S(=O)(=O)N2CCCCC2)c1
+0.0,0.0,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,,CID652234,CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)NCc2ccc(C)cc2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID658093,CCOC(=O)C(NC(C)=O)(NS(=O)(=O)c1ccccc1)C(F)(F)F
+,0.0,,,0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,,CID2187295,Cc1ccc(S(=O)(=O)NCCCNC(=O)c2ccccc2)cc1
+,,,,0.0,,,,,,,,,0.0,,,,CID3240195,Cc1ccc2nsnc2c1N(S(C)(=O)=O)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID1096980,O=C(Nc1ccccc1Br)c1ccc(OC(=S)N2CCOCC2)cc1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID1263021,CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1
+,,,,,0.0,,,,,,,,,,0.0,,CID3882891,Cc1ccc(Cn2c(Sc3nnc(C)s3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+0.0,0.0,,,,,0.0,0.0,,,,,,,,,,CID3307731,C1=C(c2ccccc2)CCN(c2ncnc3nc[nH]c23)C1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,CID645378,CCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1ccc(C(=O)OC)cc1
+,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,CID2842451,O=C(CSC1=NCCN1)C1COc2ccccc2O1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID661052,COC(=O)c1cc(Br)c(=O)n(CCN(C(C)C)C(C)C)c1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID971034,COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1
+,,,,0.0,,,,,,,,,,,,,CID1538720,CCOc1ccc2c(c1)n(CO)c(=S)n2CO
+0.0,0.0,,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,0.0,CID1021211,Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3nccs3)n2C)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID1214346,Nc1nc(CN2CCC(Cc3ccccc3)CC2)nc(Nc2ccccc2)n1
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID646136,CCOC(=O)c1c(NC(C)=O)sc2c1CCCNC2=O
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID762378,N#C/C(C(=O)c1ccccc1)=C1/CCCCCN1
+,,,,,0.0,,,,,,0.0,,,,,,CID831041,CCc1ccc(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245671,Cc1nc2c(C(=O)NCc3ccco3)cnn2c(C)c1Cc1ccc(F)cc1Cl
+,,,,0.0,,,,,,,,0.0,,,,,CID2361864,CCOC(=O)c1sc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2C)nc1C
+,,,,,,,,,0.0,,,,,0.0,,,CID766458,Cc1ccccc1OCC(=O)N/N=C/c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID846269,CCOC(=O)C1CCN(C(=O)COc2ccc3ccccc3c2)CC1
+,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,,CID666044,COc1ccc(CN2C(=O)C3ON=C(c4ccccc4Cl)C3C2=O)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3241740,O=C(NCc1cccs1)C(Cc1ccccc1)NS(=O)(=O)c1cccs1
+,,,,0.0,0.0,0.0,,,,,,,,,,,CID655523,CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)CC)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID936313,CCOn1c(SCC)nc2ccccc2c1=O
+0.0,,,,,,,,,,,0.0,,,,,,CID667293,O=C(CSc1nnc(COc2ccccc2)n1Cc1ccco1)c1ccc(F)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1308918,O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID654603,CCn1c(SCC(=O)Nc2cc(C)on2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID1471367,COc1cc(CSC)nc(-c2ccccc2)n1
+,,,,,0.0,,,,0.0,,,,,,,0.0,CID651271,COc1ccc2nc(NC(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)sc2c1
+,,,0.0,,,0.0,,,,,,,0.0,,,,CID831447,O=C(NCCc1ccc(F)cc1)N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID648196,CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccco2)Cc2ccccc2Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2896536,O=C(Cn1cnc2ccccc2c1=O)N1CCOCC1
+,,,,,,0.0,,,,,,,0.0,,,,CID3236126,COc1cc2c(C(=O)N3CCCc4ccccc43)cn(C)c(=O)c2cc1OC
+0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,,,CID665438,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1
+,0.0,0.0,,,,0.0,0.0,,0.0,,,,,,,,CID3239473,Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)c1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID5307547,CCN(CCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O)c1cccc(C)c1
+0.0,,0.0,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,CID3237910,CCCCNC(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2ccc(OC)cc2)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID3647419,O=C(c1ccc2c(c1)OCO2)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID4667208,CCCNC(=O)NCCc1c(C)[nH]c2ccccc12
+,0.0,,,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,CID1249414,COC(=O)CSc1nnnn1-c1cccc2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID3244210,COc1ccc(NC(=O)CSC2=NC(=O)CC(C)=N2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1202032,O=C(C1CC1)N1CCc2[nH]c3ccccc3c2C1
+,,,,,,,,0.0,,,,0.0,,,0.0,0.0,CID3240922,Cc1ccccc1NC(=O)NCCCN1CCN(C2CCCCC2)CC1
+,,0.0,,,,,,,,,,,,0.0,,,CID5310860,COc1ccccc1-c1coc2cc(O)cc(O)c2c1=O
+,,,,,,,,,,,,,,0.0,,,CID741883,N=c1c2c3c(sc2ncn1Cc1ccccc1)CCCC3
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID782051,CCOc1ccc2oc(-c3ccccc3)c(C(=O)N(C)C)c2c1
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,CID691328,CCOC(=O)c1[nH]c(=O)[nH]c1COC(=O)c1cc2ccccc2o1
+,,,,,,,,,,,,,,0.0,,,CID2306282,O=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID646005,COc1cc(-n2cnnn2)ccc1S(=O)(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID865762,COc1ccc(OCc2n[nH]c(=S)n2-c2ccc(C)cc2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3242738,CN(CC(=O)N1CCN(c2ccccc2)CC1)S(=O)(=O)c1cnc[nH]1
+,,,,,,,,,,,,,,0.0,,,CID4464590,Cc1ccc(N/N=C2\CC(=O)c3ccccc32)cc1Cl
+0.0,,0.0,,,,,,,0.0,,,0.0,0.0,,0.0,,CID900288,Cc1cc2ncc(-c3ccc(Cl)cc3)c(N)n2n1
+,,,,,,,,,,,,,0.0,,,,CID1152708,O=C(CN1CCCCCC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,0.0,0.0,,,,,,0.0,,,,,,,,,CID660527,COc1ccccc1N1CCN(C2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)CC1
+,,0.0,0.0,,,,,,,,,,,,,,CID573299,Cc1ccc(C(=O)NCCCC(=O)O)o1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID664518,O=c1c2cc(Cl)ccc2oc2nc3n(c(=O)c12)CCCS3
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID660426,c1ccc(-n2ncc3c2ncn2nc(CSc4nc5ccccc5s4)nc32)cc1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2117428,Cc1nc(SCc2nnc(-c3ccc(Cl)cc3)o2)c2c3c(sc2n1)CCC3
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID2197468,O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID800282,COc1ccc(C(=S)N2CCCC2)cc1OC
+,,,,0.0,,,,,,,,,,,,,CID2287824,O=C(Cc1ccccc1)NCCSCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID1214139,CCOc1cc(/C=C2/SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)ccc1OCC(=O)O
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID726646,CCOc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1
+,,,,,,,,,,,,0.0,,,,,CID648712,CC(=O)c1cccc(N(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID1206525,Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)c(C)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID1518779,Nc1cc(CN2C(=O)c3ccccc3C2=O)cc(Cl)c1O
+,,,,,,,,,,,0.0,,,,,,CID2315343,COc1ccc(NCCC#N)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2229882,CCOC(=O)c1sc(NC(=O)CSc2nc(C)cc(-c3ccccc3)n2)c(C#N)c1C
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID899532,Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID625773,O=C(O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
+0.0,,,,0.0,0.0,0.0,0.0,,,,,,,,,,CID1241395,COc1ccc(/N=C2\SCC(=O)N2c2ccc(OC)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2630313,Cc1cc(C)cc(-n2c(C)cc(C(=O)CSc3nnnn3C)c2C)c1
+,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID1026291,CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)cc1
+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID5390002,O=C1/C(=C/NC2CCS(=O)(=O)C2)c2ccccc2C(=O)N1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2940709,CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC3)cc1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID4083896,O=C(Nc1nc(COc2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,0.0,,,,,,,0.0,,,CID3245603,CCOc1ccc(C(C)=O)cc1N1C(=O)C2C3C=CC(O3)C2C1=O
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID5309367,CSc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
+0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2972598,CCOC(=O)C1CCCN(C(=O)Nc2cccc(Cl)c2)C1
+,,,,,,,,,,,0.0,,,,,,CID668531,S=c1[nH]nc(-c2cccnc2)n1/N=C/c1cccs1
+,,,,,0.0,,,0.0,,,,,,,,,CID1290458,CCCN(CCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID652985,O=C(Nc1ccccc1Cl)c1cccs1
+,,,,,,,,,,0.0,,,0.0,,,,CID1864301,COc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID2911661,CCCOc1ccc(NC(=O)C2CCCNC2=O)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID659112,COc1ccccc1NC(=O)c1c(C)cc(=O)oc1C
+,,,,,,,,0.0,,0.0,,,,,,,CID674921,O=C(COc1ccc(Br)cc1)N1CCOCC1
+,,,,,,,,,,,,0.0,,,,,CID2888135,Cc1c(OCC(=O)OC(C)C)ccc2c3c(c(=O)oc12)CCC3
+,,,,0.0,,,,,,,,,,,,,CID778407,Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID654947,c1coc(CNc2c3c(nc4ncnn24)CCCC3)c1
+0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID2224202,COc1ccc(Cl)cc1NC(=O)CSc1nc(N2CCCCC2)nc(N2CCCCC2)n1
+,,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID2090314,CCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID2303208,c1ccc(-c2nnnn2CCOCCn2nnnc2-c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2415081,CN(Cc1nc(=O)c2ccccc2[nH]1)Cc1cc(=O)oc2ccc3ccccc3c12
+,,,,,,,,,,,,,,0.0,,,CID1231769,COc1cc(NC(=O)CCC2CCCC2)cc(-n2cnnn2)c1
+0.0,,,,,,,,,,,,,,,,,CID2272264,COCCNC(=O)Cc1ccc(Br)cc1
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+,,,,,,,,,,,,,0.0,,,,CID675505,Cc1ccc2cccc(Oc3ncnc4sc(C)c(C)c34)c2n1
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+,,,,,,,,,,,,,0.0,,,,CID2542309,CCCCn1c(N)c(N(CC)C(=O)C(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O
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+,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,0.0,CID677762,CCOc1ccc(NC(=O)CSc2nccn2C)cc1
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+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID3241494,O=C(Nc1ccccn1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID540360,CCC(NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)O
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID664477,Cn1c(=O)c2c(-c3ccccc3)n(Cc3ccccn3)cc2n(C)c1=O
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID660946,CCOc1ccc(Br)cc1CC(=O)O
+0.0,,,,,,,,,,,,,,,,,CID5308106,CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O
+0.0,,0.0,,,,,,,,,,,,,,,CID662023,CC1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID900079,CCOC(=O)Nc1oc2ccccc2c(=O)c1C
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+,,,,,0.0,,,,,,,,,,,,CID775344,COc1cc(C(=O)N2CCCc3ccccc32)c([N+](=O)[O-])cc1OC
+0.0,,,,,,0.0,0.0,,,,,,0.0,,0.0,0.0,CID654443,CCOc1cc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c(OCC)cc1-n1cnnn1
+,,,,,,,,,,,,,,0.0,,,CID2487941,Cc1cccc(C)c1NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)CCCC3
+,,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID731957,O=C(COC(=O)c1cccs1)NC1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID674802,COC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID658627,O=C(O)CCN(CCC(=O)O)c1ccccc1
+0.0,,,,,,,,,,,,0.0,,,,,CID3860526,O=C(C1CCCO1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID804919,O=C(O)CCC(=O)Nc1nc(-c2ccccc2)cs1
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID975999,Cc1nn2c(nc1=O)SCC(c1ccccc1)=N2
+,0.0,,,,,,,,,,,,,,,,CID977790,O=C(O)Cn1nnn(-c2ccccc2)c1=S
+,,,,,,,,,,,,,,0.0,,,CID3776711,Clc1cccc(/C=N/Nc2ncnc3ccccc23)c1
+,,,,,,,0.0,,,,,0.0,0.0,,,,CID666572,CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID934649,COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F
+,,0.0,,,0.0,,,,0.0,0.0,,,,,,,CID3239752,COCCNC(=O)C1CC(c2cccc(OC)c2)=NO1
+,,,,,,,,,,,,0.0,,,,,CID3242178,C=CCOC(=O)C1=C(C)OC(N)=C(C(=O)OCC)C12C(=O)N(CC(N)=O)c1ccccc12
+,,,,0.0,,,,,,,,,,,,,CID1246292,Cc1cc(C(=O)NCc2ccccc2F)cs1
+,,,,,0.0,,,,,,,,,,,,CID5774890,COc1cccc(/C(O)=C2\C(=O)C(=O)N(c3ccccn3)C2c2cccc(OC)c2OC)c1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID653673,Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cn1
+,,,,,,,,,,,,0.0,,,0.0,,CID653917,COc1ccc(C)cc1NC(=O)COCC(=O)O
+,,,,,,,,,,0.0,,,,,,,CID2850923,COc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1O
+,,,,,,,0.0,,,,,0.0,,,,,CID1522903,COc1cccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1
+,0.0,0.0,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,CID657481,CCOC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID945965,Cn1c(=O)[nH]c(=O)c2c1nc(NC1CCCCC1)n2CCO
+0.0,,,,,,,,,,,,,0.0,,0.0,0.0,CID5216019,O=C(c1ccc(Cn2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2ccccn2)CC1
+,,0.0,,0.0,,,,,,,,0.0,,,0.0,,CID656279,Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(-c4ccco4)s3)CC2)cc1
+0.0,0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,CID3239066,O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,0.0,,,,,,,,,,,,,,,CID660266,O=C1c2ccccc2C(=O)N1c1ncccn1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,,,CID2160439,COc1cccc(C(=O)Nc2c3c(nn2-c2ccccc2C)CS(=O)C3)c1OC
+0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,CID3245038,CCN1C(=O)CSc2ccc(C(=O)NCc3ccco3)cc21
+,,,,,,,,,,,,,0.0,0.0,,,CID767550,O=C(NNC(=O)c1ccncc1)NC1CCCCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID897624,COC(=O)c1sccc1NC(=O)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID1104079,COc1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc(OC)c1OC
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+,0.0,,,,,,,,0.0,,,,,,0.0,,CID649063,Cn1nnc(C(O)CN2CCOCC2)n1
+,,,,,,,,,,,,,,0.0,,,CID2442685,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)COc2ccc(OC)cc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID1308296,COc1cccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)c1
+,,,,,,,,,,,,,,,,0.0,CID3239797,CCOC(=O)c1c(C)c(C(=O)N2CCCCCC2)c(C)n1C
+,0.0,,,,,0.0,0.0,,,,,,,0.0,0.0,,CID2219853,O=C(CCCCCN1C(=O)CCC1=O)Nc1ncn[nH]1
+,,,,0.0,,,,,,,,,,,,0.0,CID2088972,Cc1onc(-c2ccccc2)c1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID652116,CC(C)c1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1
+,,,,,,0.0,,,,,,0.0,,,,,CID647863,Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID1281347,COc1cccc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1
+0.0,,,,0.0,0.0,,,,,,,,,,,0.0,CID1209202,COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID645429,COc1ccc2cc(CN(CCc3ccccc3)Cc3nnnn3Cc3ccco3)c(=O)[nH]c2c1
+,,,,,,,0.0,,,,0.0,,,,,,CID1916592,COc1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID648502,CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)c(C)c2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2962872,COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2coc3ccc(C)cc3c2=O)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID2356877,Cc1cc(Nc2ccccc2)n(CCO)n1
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,,CID5308255,O=C(c1ccc2nc(N3CCCCC3)sc2c1)N1CCN(c2ccccn2)CC1
+,,0.0,,,,,,0.0,,,,,,,,,CID655681,CCC(C)Nc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID1968717,CCN(CC)C(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1
+,,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,CID2933107,Cc1ccc(N2CC(C(=O)NCc3ccc4c(c3)OCO4)CC2=O)cc1C
+,,,,,,,,0.0,,,,,,,,,CID669174,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
+0.0,,,0.0,,,,0.0,,,,,0.0,,,,,CID4119265,COc1ccccc1CNc1ncnc2c1cnn2-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1973601,O=C(CCCN1C(=O)/C(=C/c2ccccc2)SC1=S)Nc1cccc(O)c1
+,,,,,,0.0,,,,,,,,,,,CID5307120,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
+,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,CID1292193,CCOc1ccccc1N1CCN(C(=O)Nc2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID959555,O=[N+]([O-])c1ccc(Cl)cc1Sc1ccccn1
+,,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID3241613,COc1ccc2c(c1)CCc1c(C(=O)Nc3ccc(OC)c(OC)c3)noc1-2
+,,,,,,,,,,0.0,,,0.0,,,,CID3154914,CCCC1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
+0.0,,,0.0,,,,,0.0,,0.0,,,,,,,CID871491,CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccccn2)ccc1C
+,,,,,,,,,,,,,0.0,,,,CID973481,O=C(Nc1cccc(CCc2ccccn2)c1)c1ccc(Cl)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2998099,CC1CN(c2nn3c(=O)c4ccccc4nc3c3ccccc23)CC(C)O1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID659166,CC/C(C)=C1\SC(N2CCN(C(C)=O)CC2)=NC1=O
+,,,,,,,,,,,,,,0.0,,,CID16195038,Cc1ccc(Cn2nnc3c(=O)n(CC(=O)NCc4ccccc4)cnc32)cc1
+,0.0,,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,CID711442,CC(=O)Nc1nc(CC(C)C)cc(-c2ccco2)c1C#N
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,,CID121269,Nc1nnc(-c2ccncc2)s1
+,,,0.0,0.0,0.0,,,,,,0.0,,,,,,CID2324715,CCN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID650601,COc1cccc(C(C(=O)NC(C)(C)C)N(C(=O)CCC(=O)Nc2cc(C)on2)C2CC2)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2371634,Cc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)c(C)c1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID653926,COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NCc3ccco3)n2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID2188965,CN(C)c1nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)nc(N2CCCCC2)n1
+,,,,,,,,,,,0.0,,,,,,CID1477083,CON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
+,,,,,,,,,,,0.0,,0.0,,,,CID2148794,Cc1cc(C)n(C(=O)CCCCCC(=O)n2nc(C)cc2C)n1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID649193,COc1ccc2nc(N3CCCCC3)c(C#N)cc2c1
+,,,,,,,,,,,0.0,,,,,,CID979990,Cc1ccc(-n2nc(C(=O)c3ccccc3)n3c(=O)c(Cc4ccccc4)nnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID2289502,O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccco1
+,0.0,,,,,,,,,,,,,0.0,,,CID3243833,CC(=O)Nc1nonc1NC(=O)CSC1=NCCS1
+0.0,,,,,,0.0,,,,,,,,,,,CID662835,CNc1nc2sc3c(c2c(=O)n1C)CC(C)(C)SC3
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID3239262,O=c1[nH]c2ccc(S(=O)(=O)N3CCN(Cc4ccccc4)CC3)cc2[nH]c1=O
+0.0,,,0.0,,,,,,,,,,,,,,CID3242428,CCC(CC)C(=O)NCCc1cc2ccc(OC)cc2[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID1166124,COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)NCc3cnn(C)c3C)n2)cc1OC
+,,,,,,,,,0.0,0.0,,,,,,,CID2517904,CCN(CC)CCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID881348,CCOc1ccc(C(=O)NCc2cccnc2)cc1[N+](=O)[O-]
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID663251,Cc1ccccc1CSc1nnc(-c2ccco2)n1Cc1ccco1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID1533848,CCCN1C2=C(C(=O)CCC2)C(c2ccc(O)c(Br)c2)C2=C1CCCC2=O
+,,,,,,,,,,,,,,,0.0,,CID693069,COc1ccccc1NC(=O)CCC(=O)O
+,,,,,,,,,0.0,,,,,,,,CID9550131,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
+,,0.0,,,,,0.0,,,,,,,,,,CID663894,CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccc(F)cc1
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID654496,COc1ccc(N2CCN(C(=O)CSc3nnc4ncccn34)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID12004639,O=C(OC(c1ccccc1)c1ccccc1)C1C2C(=O)N(c3cccc(F)c3)C(=O)C2C2C=Cc3ccccc3N21
+0.0,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,CID2092261,C=CCn1c(SCC(=O)NCCOC)nc2scc(-c3ccco3)c2c1=O
+,0.0,,,,,,,,0.0,,,,,,,,CID786355,CCc1nnc(NC(=O)c2cnccn2)s1
+,,,,,,,,0.0,,,,,,,,,CID669165,CC(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)C(C)C)cc1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID771697,O=C(CCN1CCOCC1)Nc1ccc2c(c1)CCC2
+,,,0.0,,,0.0,0.0,,,,,,,0.0,,,CID387725,N#CC1=C(N)N(c2ccccc2)C(c2ccco2)C1(C#N)C#N
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID2999783,COC(=O)CCSCc1cn2cc(Cl)ccc2n1
+,,,,,0.0,,,,,,,,,,,,CID651822,CCC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1ccccn1
+0.0,,0.0,,,,,,,,,,,,,,,CID5307512,CC(C)NC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
+,,,,,0.0,,,,,,,,,,,,CID1478363,COc1ccc(N2CS(=O)(=O)/C(=C/N(C)C)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID16190221,O=C(CC1C(=O)NCCN1Cc1c(F)cccc1Cl)NCCC1=CCCCC1
+0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,CID666649,O=c1c2ccccc2oc2nc(-c3ccco3)n(Cc3ccccc3)c(=O)c12
+,,,,,,,,,,,0.0,,,,,,CID4574105,CCCCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1CC1COc2ccccc2O1
+,,,,,,,0.0,,,,0.0,,,,,,CID659426,Nc1ccc2oc3ncccc3c(=O)c2c1
+,,,,,0.0,,,,,,,,0.0,,,,CID833120,O=C(COc1ccc([N+](=O)[O-])cc1)NN=C1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID1130825,CCN(CC)C(=O)c1sc(NC(=O)Cc2ccccc2)c(C#N)c1C
+,,,,,0.0,,,,,,,,,,,,CID1239473,CC1=CC(C)(C)N(C(=O)c2ccccc2)c2ccc(C)cc21
+,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,,CID650503,Cc1ccc(S(=O)(=O)Nn2c(C)nnc2-n2nc(C)cc2C)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID651195,COc1c(O)cccc1-c1nnn(CCC(=O)OCC(=O)c2ccccc2)n1
+,,,,,,,,,,,,,,,0.0,,CID3242896,O=C(c1ccc(C(=O)N2CCN(c3ccccc3F)CC2)nc1)N1CCN(c2ccccc2F)CC1
+,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,,CID650251,O=c1cn[nH]c(NCc2ccccc2)n1
+,,,,,,,,,0.0,,0.0,,,,,,CID2243102,CNCc1ccccc1OCC(=O)Nc1ccccc1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID2999932,O=C1CSC(c2ccncc2)N1Cc1ccco1
+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID880537,CCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1
+0.0,,,,,,,,0.0,,0.0,,0.0,,,,0.0,CID650194,Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)c(C)c1
+,,,,,,,,0.0,,,,,,,0.0,,CID2041236,CC(=O)c1cnc2nc(C(F)(F)F)nn2c1C
+,,,,,0.0,,,,,,,,,,,,CID842290,Cc1nn(C)cc1/C=N/NC(=O)c1sc2ccccc2c1Cl
+,,,,,,,,,,,,,0.0,,,,CID9526049,O=C(CSCc1ccccc1)Nc1cccc(C(=O)Nc2ccc(C(=O)O)cc2)c1
+,,0.0,,,,0.0,0.0,,,,0.0,,,,,,CID820817,CN1CCN(c2nc(-c3ccncc3)nc3ccccc23)CC1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID1844826,Cn1nnnc1SCC(=O)Nc1ccc(N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID784402,CCOc1cc(CNc2ccc3c(c2)CCC3)ccc1O
+,,0.0,,,,,,,,,,0.0,0.0,,,,CID645249,COC(=O)c1ccc(NC(=O)Cn2nnc3ccccc32)cc1
+,,,,0.0,,,,,,,,,,,,,CID652040,C=CCn1c(SCCC#N)nnc1-c1ccncc1
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID3335282,Cc1cc2ccccc2n1CCNC(=O)C(C)C
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID1225310,Cc1nn(C)cc1CNC(=O)c1ccccc1Br
+,0.0,,,,,,,,0.0,,,,,,,,CID5308517,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2834824,O=C1C=C(N2CCOCC2)CC(c2ccccc2)C1
+,,,,0.0,,,,,,0.0,0.0,,,,,,CID960579,Cc1c(O)ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c1O
+0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,,CID600498,CCCCC(=O)Nc1c(O)[nH]c2ccccc2c1=O
+,,,,,,0.0,,0.0,,,0.0,,,,,,CID78458,O=C(O)c1ccccc1C(=O)Nc1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,,CID1257701,COC(=O)c1nnn(-c2nonc2N)c1CN1CCc2ccccc21
+,,1.0,,0.0,,,,,,,,,,,,0.0,CID2660503,O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,,CID667123,COCC(N)(c1ccccc1)c1nc2ccccc2n1C
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID1459121,COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(C)=O)cc2c1
+,0.0,,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,CID2998370,COC(=O)c1c(NC(=O)CSc2nnnn2-c2ccccc2)sc2c1CCC(C)C2
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID887238,COc1nc(NCc2ccc(Cl)cc2)nc(OC)n1
+,,,,,,,,,,0.0,,,,,,,CID2528652,Cc1nnc(SCC(=O)N(Cc2ccccc2)C(C)C)n1-c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID1191206,CC1(C)CC(=O)C(C(c2ccco2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
+0.0,0.0,,,,0.0,,,,,,,,,,0.0,0.0,CID3242622,Cc1oc(-c2cccc(Cl)c2)nc1CN1CCCC(C(=O)NCc2ccco2)C1
+,,,,,0.0,0.0,,,0.0,0.0,,,,,0.0,,CID650731,CCCCc1c(O)[nH]c2ccccc2c1=O
+0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,CID2383751,O=C1c2ccccc2C(=O)N1CCCCSc1nnc2ccccn12
+0.0,,,,,,,,,,,,,,,,,CID3243138,O=C(Cc1ccc(-n2cccc2)cc1)N1CCc2ccccc21
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID2998592,Cn1ccnc1SCc1cn2ccccc2n1
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID2601938,Nn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1C1CC1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID785218,COc1ccccc1C(=O)Nc1ccc(C(=O)O)cc1
+0.0,,,,0.0,0.0,,,,,,,0.0,,,,,CID3238504,COCCn1c(COc2ccc(C)cc2)nc2ccccc21
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID3240108,COc1ccc(C2C(C(=O)N3CCN(C)CC3)c3ccccc3C(=O)N2C2CCCCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID644766,Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID1596211,COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)[nH]c2c1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID742428,CCOC(=O)COn1c(=O)c(=O)n(O)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID657692,CCCn1c(N2CCN(CC(=O)c3c(C)n(C)c4ccccc34)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1488336,COc1ccc(-c2nc(-c3ccccc3)ncc2S(C)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1478594,O=C(Nc1ccccc1)OCc1cn(-c2ccccc2)nn1
+0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,1.0,CID5308739,Cc1ccc2c(c1)NC(=O)C(CC(=O)Nc1ccc(CN3CCC(C)CC3)cc1)O2
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID2999210,Cc1cc(C)nc(-n2nc(C)c(C3(O)C(=O)Nc4ccccc43)c2N)n1
+,,0.0,,,,,,,,,,,,0.0,,0.0,CID3239810,COCCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2
+,,,,,,,,,,,,,,0.0,,,CID2155765,O=C(CSc1nnc(-c2ccco2)o1)N1CCN(c2ccccc2)CC1
+,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID658909,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3238158,O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ncccn2)CC1
+0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,CID2295879,N#CCCCSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID6324550,COCC(C)NC(=O)C1=CC(=C2C=CC(=O)C=C2)ON1
+,,,,,,,,,0.0,,,0.0,,,,,CID647716,Cc1ccc(C(c2nnnn2C(C)(C)C)N2CCc3ccccc3C2)cc1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID2969307,CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4cc(C)oc(=O)c43)c3cccc1c32
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID772049,c1ccc(CSc2ncn(-c3ccccc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3677188,CCC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccncc1)C2
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID715275,O=C(Nc1ccc(F)cc1)c1cccnc1N1CCOCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID5310669,O=c1c(-c2ccc(F)cc2)coc2cc(O)ccc12
+,,,0.0,,,,,,,0.0,,,,,,,CID2378,c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1249875,CC(=O)c1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1505999,COC(=O)CCC(=O)C1=C(NCCc2nc3ccccc3[nH]2)CC(C)(C)CC1=O
+0.0,,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID3236478,Cc1cc(NC(=O)CSc2ccc3nnc(-c4ccc(Cl)cc4)n3n2)no1
+,,,0.0,,,,,,0.0,,,,,,,,CID712224,CC(=O)Nc1nonc1NC(=O)CSc1nc2ccccc2o1
+,,,,,,,,,0.0,,,,,,,,CID1158230,CCOC(=O)Nc1sc(NS(=O)(=O)c2ccc(C)cc2)nc1C
+,,,,,,,,,,,,,,0.0,,,CID783852,COc1ccc(NCc2ccc([N+](=O)[O-])s2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID788035,COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID569077,CNc1oc(-c2ccccc2)nc1C#N
+,,,,,,,,,,,,,0.0,,,,CID1553353,Cc1ccc(N2CCN(/N=C/C=C/c3ccccc3)CC2)cc1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID2943575,COc1ccc(OCC(O)CNc2ccc(Br)cc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID655007,CC(C(=O)NCc1ccccc1)N(CCN1CCOCC1)C(=O)c1snc(C(N)=O)c1N
+,,,,,,,,,,,,,0.0,,,,CID1475379,COc1ccc(/C=C/C(=O)CCC(=O)O)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3244875,O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(c2ccccc2F)CC1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID5308831,O=C(NC1CCCC1)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID646229,CC(C)(C)C(=O)NC1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
+,,,,0.0,,,,,,,,,,0.0,,,CID899467,Cc1cc(C)nc(SCC(=O)Nn2cnnc2)n1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID3240171,Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
+,,,,,,,,,,,,,,,,0.0,CID5310317,CCc1nc(SCc2ccccn2)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,0.0,,,,,,,,,,,,CID880038,Cc1ccc(-c2nc3ccccn3c2NC(=O)c2ccccc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID651959,Clc1ccc(C(c2nnnn2C2CCCC2)N2CCN(Cc3ccncc3)CC2)cc1
+,0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,CID3237191,O=C(NCc1n[nH]c(=S)n1-c1ccccc1)c1ccco1
+,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID2867617,O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(Br)o1
+0.0,,,0.0,,,,,,,,,,,,,,CID555562,Cn1nnnc1SCCNS(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3727816,Cc1ccccc1Nc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12
+,,,,,0.0,,,,,,,,,,,,CID5349544,O=C(/C=C/c1ccc(F)cc1)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID755305,c1ccc(-c2cnc(-c3ccccc3)nc2)cc1
+,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,CID2936794,CCOC(=O)c1cnc(SC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)nc1N
+,,,0.0,,,,0.0,,,,,,,,,,CID6324541,O=C1C=CC=C/C1=C1/C=C(C(=O)N2CCc3ccccc3C2)NO1
+,,,,,,,,,,,,0.0,,,,0.0,CID3244231,CCN(CC)CCCNC(=O)c1nn(-c2cc(OC)cc(OC)c2)c(=O)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2844889,CCCCC(CC)COC1(c2ccccc2)OC(=O)c2ccccc21
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,,CID881134,Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID738764,Cc1ccc2nc(-c3cc(N)cc(N)c3)oc2c1
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID2857375,Clc1cccc(CN2CCCCC2c2cccnc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1589133,CCCC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(C)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID875632,Cc1cccc(C)c1NC(=O)/C=C/c1ccc2c(c1)OCO2
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID721807,COc1ccc(C(=O)Nc2nccs2)cc1OC
+,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,CID672426,CSc1nc(-c2ccccc2)nc(SC)c1C(C)=O
+,,,,,0.0,,,,,,,,,0.0,,,CID4450650,CNC(C)c1cc(OC)ccc1OC
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,CID647280,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCC(n2cnc3cc(F)ccc32)CC1
+,,,,,,,,,,,,,0.0,,,,CID1250783,O=C(NNC(=S)Nc1ccccc1)c1cccc(Br)c1
+0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,0.0,CID389249,COc1ccc2oc(=N)c(C(=O)Nc3ccccc3)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID2082298,COc1ccc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1
+,,,,,0.0,,,,,,,,,,,,CID3227084,CC1CCCCN1C(=O)CSc1nnc(CSc2ncccn2)n1C
+,,,,,,,,,,,0.0,,,,,,CID1311513,COc1ccc(C(=O)Nc2cc3c(cc2OC)CCCC3)cc1Br
+,,,,,,,,,,0.0,,,,,,,CID6621783,CC(C)CCNC(=O)c1nnc(Cc2ccc(Cl)cc2)o1
+,,,0.0,,,,,,,,,,,0.0,,,CID15139,COc1ccccc1N1CCN(CCCC(=O)c2ccc(F)cc2)CC1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,,0.0,CID2096720,Cc1ccc(C)c(C(=O)CSc2n[nH]c(C(C)C)n2)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID2890566,CC(=O)C1=C(O)C(=O)N(c2nccs2)C1c1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID4655525,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O
+,,,,,,,,,,0.0,,,,,,,CID658908,CN1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1
+,,,,0.0,,,,,,0.0,,,0.0,,0.0,0.0,CID1085954,O=C(CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1)NCc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID1475667,COc1ccnc(Nc2ccc(C)c(C)c2)c1C#N
+,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,,CID662699,COc1ccccc1NC(=O)C(CCS(C)(=O)=O)N1C(=O)c2ccccc2C1=O
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2124414,Cc1noc(C)c1COC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,,,,,,,,,,,,,,0.0,,,CID1250795,Cn1c(=O)n(C)c2cc(NC(=O)c3cccc([N+](=O)[O-])c3)c(Br)cc21
+,,,,,,,,,,,,,,0.0,,,CID1211555,COC(=O)c1sccc1NC(=O)COc1ccc(Cl)cc1Cl
+,,,,,,,,,0.0,,,,,,,,CID2708742,CCOC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(N)n1
+,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,CID3240384,COCCCNC(=O)c1ccc(CS(=O)(=O)Cc2cccc(C)c2)o1
+,,,,,,,,,,,,,,0.0,,,CID889032,Cc1cccc(N2CCN(C(=O)N3CCCCC3)CC2)c1C
+,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,,CID656243,COC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2C)nc1C
+,,,,,,,,0.0,,,0.0,,,,,,CID658978,COC(=O)C(NC(C)=O)(Nc1ccc(Br)cc1)C(=O)OC
+,,,,,0.0,,,,,,,,,,,,CID653772,CC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1
+,0.0,,,,,,,,,,,,,,,,CID5307259,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2127686,O=C(N/N=C/c1ccsc1)c1cc(-c2cccs2)nc2ccccc12
+,,0.0,,,,,0.0,,,,,,,,,,CID2999635,O=C(CC(SCCO)c1ccc(F)cc1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID3559551,Cc1ccc(CNC(=O)C(CCC(N)=O)NC(=O)OCc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3238622,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC3)c21
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID787753,COc1ccc(OC)c(NC2=c3ccccc3=NC2=O)c1
+,,,,,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID3238376,COc1cc(C2=NOC(C(=O)Nc3ccc(C)cc3)C2)cc(OC)c1OC
+,,,,,0.0,,0.0,,,,,,,,,,CID5756988,CCN1C(=O)/C(=C/Nc2ccccc2)OC1=S
+,,0.0,,0.0,,,,,,,0.0,,,,1.0,0.0,CID3237275,CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID3244721,CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)ccc21
+,,,,,,,,,,,0.0,,,,,,CID3106026,CCOC(=O)c1[nH]c2ccccc2c1/N=C/N(C)C
+,0.0,,,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,CID650366,CC(C)(CNC(=O)CN1C(=O)c2ccccc2C1=O)CNC1=NS(=O)(=O)c2ccccc21
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID665351,CC1(C)Cc2c(sc3nc(NCCN4CCOCC4)n4ncnc4c23)CO1
+,,,,,,,,,,,,,0.0,,,,CID2453261,O=C(OCc1nnc(-c2ccccc2)o1)c1cc2ccccc2cc1O
+0.0,,,,,,,0.0,,,,,0.0,,,,0.0,CID3243917,Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
+,,,,,,,,,,,,,,0.0,,,CID376349,Cc1ccc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1085602,Cc1ccc(SCCC(=O)NCc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID828746,CCS(=O)(=O)n1nc(-c2ccc(OC)cc2)nc1N
+,,,,,0.0,,,,,,,,,,,,CID5721474,COC(=O)c1ccc(/C=C/C(=O)c2ccc(OC)cc2)cc1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID3204807,COc1ccccc1N(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1ccccn1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,CID2997027,CCOC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccc(N(C)C)cc1)C2
+0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,,,CID2113938,Cc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1NC(=O)c1ccco1
+,,,,,,,,,,,,0.0,0.0,,,,CID751754,COC(=O)Cn1c(C)nc(=O)c(-c2ccccc2)c1C
+,,,,,,,,,,,,,,0.0,,,CID5102375,CCN(CC)S(=O)(=O)c1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1F
+,,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID2388572,O=C(OCC(=O)N1CCCCC1)c1cc2ccccc2cc1O
+,,,,,,,,,,0.0,,,,,,,CID1154963,O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)N1CCOCC1
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,,CID1080538,Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID5077639,COc1ccc(NC(=S)N(CCN(C)C)C(C)c2ccco2)cc1
+,,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,CID3240117,COc1ccccc1-c1cc(C(=O)NCCN2CCOCC2)no1
+,,,,,0.0,,,,,,,,0.0,,,,CID977573,Cc1ccc(-n2c(C)cc3c2CC(C)(C)CC3=O)cc1C
+0.0,,0.0,,,,,0.0,,,,,0.0,,,,,CID658939,COc1ccc(-n2c(NC(=O)c3ccco3)c(C#N)c3nc4ccccc4nc32)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID653549,COc1cc2cc(C)c(SCC(=O)N3CCOCC3)nc2cc1OC
+0.0,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID2236482,COc1ccc2c(c1)N(C(=O)CSc1n[nH]c(C)n1)C(C)(C)C=C2C
+,,,,,,,,,0.0,,,,,,,,CID3109981,Cc1cccc(NC(=O)CC2SC(=O)N(c3ccccc3)C2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2097489,Cc1cccc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(C#N)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2942731,C=CCC1c2cccc(C(=O)O)c2C(=O)N1c1cccc(C)c1
+,,,,,,,,,,,0.0,,,,,,CID2468308,O=C(NC(Cc1ccccc1)C(=O)NC1CCCCCC1)c1ccco1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID738713,C=CCc1c(C)[nH]c(SC(C)C)nc1=O
+,,,,,,,,,,,,,0.0,,,,CID2765498,CC(C(=O)NCCS(=O)(=O)c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID3240410,CC(=O)N1CCCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21
+,,,,,,,,,0.0,0.0,,,,,,,CID3241953,CCC(C)NC(=O)C1CC(c2cccc(OC)c2)=NO1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2952601,CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)C1c1cccnc1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID2869413,c1ccc(-c2noc(C34CC5CC(CC(C5)C3)C4)n2)nc1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5771301,CCOC(=O)c1c(C)oc2c1/C(=C/NC1CCS(=O)(=O)C1)C(=O)c1ccccc1-2
+0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID3238844,COc1ccc(Cn2c(CCC(=O)Nc3ccc(CC#N)cc3)nc3cccnc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID688763,CCN(CC)c1ccc2cc(C(C)=O)c(=O)oc2c1
+0.0,,0.0,,,,0.0,,0.0,,,,,0.0,,,,CID667125,CCOc1ccc(-c2noc(CCC(N)=O)n2)cc1OCC
+,0.0,,,,,,0.0,,0.0,,,,0.0,0.0,,,CID972660,CC1(C)CC(=O)c2cnn(-c3nc4ccccc4[nH]3)c2C1
+,,,,,,,,,,,0.0,,,,,0.0,CID3239531,O=C(NCCN1CCCCCC1)C1CC(=O)N(CCc2ccccc2)C1
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID656023,O=S(=O)(c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1)N1CCCC1
+,,,,0.0,,0.0,,,,,,,,,,,CID646635,CCC(=O)Nc1nc2cc(OC)ccc2s1
+,,,,,0.0,,,,,0.0,,,,,,,CID764052,COc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1488732,Cc1ccc(S(=O)(=O)c2c(C)cc(C)nc2Oc2cccc(C)c2C)cc1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,,CID853805,CCC(=O)Nc1ccc(Nc2ccccc2)cc1
+0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,,CID696434,Cc1ccc2[nH]c(C)c(CN(C)C3CCN(C)CC3)c(=O)c2c1
+,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID2535642,c1csc(-c2csc3nc(CN4CCOCC4)nc(NCc4ccc5c(c4)OCO5)c23)c1
+,,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,,CID913865,CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(C)n1
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID2898048,CC(c1ccccc1)n1cnc2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID1050674,Cc1cc(C)cc(OCC(=O)NNC(=O)c2cc3ccccc3oc2=O)c1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5307225,CCc1cccc(NC2c3ccccc3C(=O)N2c2cccnc2)c1
+0.0,,,,0.0,0.0,,0.0,0.0,,,,,,,,,CID663749,O=C(CCC(=O)N1CCCC1)Nc1nnc(C2CCCCC2)s1
+,,,,,,,,,,,0.0,,,,,,CID2239106,Cc1cc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)n(-c2ccccc2)n1
+,,,,,,,,,,0.0,,,,,,,CID3141998,CCCCNC(=O)Nc1ccccc1C(=O)NCCC
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0,CID1275933,Cc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2C(N)=O)c(-n2nc3ccccc3n2)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID665482,CN(C)S(=O)(=O)N(CCN1CCOCC1)Cc1ccccc1F
+,,,,,,,,0.0,,,,,,,,,CID662385,CC(=O)C(Sc1nn(C)c(=S)s1)C(=O)Nc1ccccc1
+,,,,,0.0,,0.0,,,,,0.0,,,0.0,0.0,CID3125194,C=C(C)C1CCC(C)=C1COC(=O)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID9551198,COc1ccc(C2C(C(=O)N3CCCCC3)CC(=O)N2c2ccc(OC)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2270856,CCOc1ccc(S(=O)(=O)N(CC(=O)N(CC)CC)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2453513,CCCN(Cc1ccccc1)C(=S)Nc1ccc(OCC)cc1
+,,,,,,,,0.0,,,,,,,,,CID1847696,O=C(/C=C/c1ccc(Br)cc1)NC(=S)NNC(=O)c1ccco1
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID2998439,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(NC(=O)c1ccco1)C(C)C
+,,,,,0.0,,,,,,,,,,,,CID1364112,CCC(=O)Nc1ccc(NC(=O)COc2cc(C)ccc2C(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID780975,O=C(NN=C1c2ccccc2-c2ccccc21)c1ccccn1
+,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0,,CID751041,Cc1ccc(S(=O)(=O)NCC(=O)N2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID878500,CCn1c2ccccc2c2cc(C#N)c(N)nc21
+,,,,,0.0,,,,0.0,,,,,,,,CID4228282,CCOC(=O)N1CCC(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccccc43)CC2)CC1
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID4488,O=C(O)c1cccnc1Nc1cccc(C(F)(F)F)c1
+,,,,,0.0,,,,,,,,,,,,CID2876806,CCCC(=O)NC(c1ccc(OC)c(OC)c1)c1c(O)ccc2ccccc12
+,,,,0.0,,,0.0,,,,,,,,,,CID2967676,COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID310608,COc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC
+,0.0,,0.0,,,,,,,,,,,,,,CID666586,N=c1c2c3c(sc2ncn1CCN1CCOCC1)CCCC3
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5076107,CCOC(=O)N1CCN(C(c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,,,CID224709,CCOC(=O)c1c(C)[nH]c(C(=O)O)c1C
+,,,,,0.0,,,,,,,,,,,,CID4335082,CCn1c(COc2ccc(Cl)cc2)nnc1SCc1nc2ccccc2[nH]1
+,,,,,,,,,,,,0.0,,,,,CID3241920,COc1cccc(-c2nn3c(C)cc(C)nc3c2C(=O)O)c1
+,,,,,,,,,,,,,0.0,,,,CID974191,CC1(C)CC(=O)c2c(O)cc(OCc3ccc([N+](=O)[O-])cc3)cc2O1
+,,0.0,,,,,,,,,,0.0,,0.0,,0.0,CID3237111,CCCN1CCN(CCCNC(=O)Cn2nc(-c3ccccc3)ccc2=O)CC1
+,,,,1.0,,,,,,,,,,,,,CID648607,COc1ccc(OC)c(Nc2nc(-c3ccc(O)c(O)c3)cs2)c1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID662713,O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID680784,O=C(Cn1ccccc1=O)c1cccs1
+,,,,,,,,,,,,0.0,,,,0.0,CID5310562,Cn1c(=O)c2c(SCC(N)=O)nc(CC(C)(C)C)nc2n(C)c1=O
+,,,,,,,,,,,,0.0,,,,,CID2998433,CCc1nc2ccccc2c(C(=O)OCC(=O)NCCCN2CCCC2=O)c1C
+,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,,CID2869084,C/N=C(\NC)SC1CC(=O)N(c2ccccc2)C1=O
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1237189,Cc1nc(CCN2C(=O)c3ccccc3C2=O)n[nH]1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1245039,COc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID2115954,Brc1ccccc1-c1nnc(COc2ncnc3c2cnn3-c2ccccc2)o1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID765586,CC(=O)Nc1cccc2c1C(=O)N(c1ccc(C)cc1)C2=O
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID2537874,Cc1ccc(NC(=O)COC(=O)Cn2c(C)csc2=O)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID2205156,O=C(CSc1n[nH]c(-c2ccco2)n1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2
+,,,,,,,,,,,0.0,,,,,,CID3152694,Cc1cccc(N2CCN(CC(=O)Nc3nccs3)CC2)c1C
+,,,,,,,,,,,,,,0.0,,,CID620060,Cc1ccc(-n2cc3ccc([N+](=O)[O-])cc3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2382426,Cc1c(C=O)c(Cl)n(C)c(=O)c1C#N
+,0.0,,,,,,,,,,,,,,,,CID661501,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C21C(=O)N(CC(N)=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID5389069,CCCCCC/C(N=O)=C1/C=CC=CN1
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+,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,CID3241318,Cn1c2ccccc2c2c(C(=O)NCC3CCCO3)cn(C3CCCC3)c(=O)c21
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+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID5309455,CC1=C(C(=O)NCc2ccco2)C2(CCC(C)CC2)OC1=O
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+,,,,,0.0,,,,,0.0,,,,,,,CID3244438,O=C(O)c1cccc(NC(=O)C23CC4CC(C2)CC(n2cnc(Cl)n2)(C4)C3)c1
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+0.0,,,,,,,,,,,,,,,0.0,,CID661765,COc1cc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccccn4)c(=O)c32)cc2c1OCO2
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+,,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID2997835,CCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2867418,CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccc(F)cc2)NC(=O)N1
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+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID2997823,CC1CC1C(=O)OCc1cc(=O)n2cc(Br)ccc2n1
+,,,,0.0,0.0,,,,,,,,,,,,CID652585,O=C(CN1C(=O)C2CCCCN2C(=O)c2ccccc21)N1CCCc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID3688853,CSCCC(NC(=O)COc1ccccc1)C(=O)O
+,,,,,,,,0.0,,,,,,0.0,,,CID1572650,CC(=O)Nc1ccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)cc1
+,0.0,0.0,,,,0.0,,,,,,,,0.0,,,CID662349,Cn1c(N2CCCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C
+,0.0,,,,,,,0.0,,,,,0.0,,,,CID2155431,O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)NCc1ccco1
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+0.0,,,,,0.0,,,,0.0,,,,,,,,CID3244202,COC(=O)c1cc2occc2n1CC(=O)N(C)C1CCCCC1
+,,,0.0,,,,0.0,,,,,,,,,,CID617877,CCc1nc(C)c(C#N)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,,0.0,,,CID1012571,O=C(N/N=C/c1ccco1)c1cc(-c2cccc(Br)c2)nc2ccccc12
+,,,,,,,,,,,0.0,,0.0,,,,CID81585,N#CCc1nn(-c2ccccc2)c(N)c1C#N
+,,,,,,0.0,,,0.0,,0.0,,,,,0.0,CID3237529,O=C(CN1C(=O)CCS(=O)(=O)c2ccccc21)NCc1ccc(F)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID653808,C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1OC
+,,,,,,,,,,,,,,,,0.0,CID1894137,O=c1nc(NCCO)[nH]c2c1C1(CCCCC1)Cc1ccccc1-2
+0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,,CID5308990,Cc1cc(C)c2c(=O)n(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)sc2n1
+,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,0.0,0.0,0.0,0.0,CID2191400,CCOC(=O)C(NC(=O)c1ccccc1)=C1CCCCC1
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID661832,COCCCNC(=O)c1c(N)n(/N=C/c2cccs2)c2nc3ccccc3nc12
+,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,,CID785994,COc1ccc(C(=O)Nc2cccc3cccnc23)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID748036,Cc1cc(-n2nnc3ccccc32)nc2ccccc12
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+,,,,,0.0,,,,,,0.0,,,,,,CID2876800,CC(C)C(=O)NC(c1ccco1)c1c(O)ccc2ccccc12
+,,0.0,,,,,,,,,,,,,,,CID3240111,CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c2ccccc21
+0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,CID3244067,COC(=O)c1cc2ccsc2n1Cc1cc(=O)n2ccccc2n1
+,,,,,0.0,,,,,,,,,,,,CID3789576,Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3cccnc23)c1
+,,,,,,,,,,,,,,0.0,,,CID9550476,CN1CCN(C(=O)C2CC(c3ccc(F)cc3)=NO2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1173266,COC(=O)c1c(NC(=O)CSc2ccccc2N)sc(C)c1C
+,,,,,,,,,,,,,,0.0,,,CID1157156,Cc1cccc2cc(CN(C(=S)NCC(C)C)C3CCCC3)c(=O)[nH]c12
+,,,,,,,,,,,,0.0,,,,,CID5309910,CCOc1ccc(Cn2nnc(C(=O)NCc3ccc(OC)cc3)c2N)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID650899,CCOC(=O)N1CCC(NCCNC(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3698747,Nc1c(C(=O)NCc2ccccc2)sc2nc(N3CCOCC3)c3c(c12)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID698255,O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID3111694,CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C
+,,,,,,,,,0.0,,,0.0,,,,,CID646366,CC(C)C(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID3097718,CCCCOc1ccc(S(=O)(=O)NC(=O)NCc2ccc(OCCC)cc2)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID662595,N=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1
+,,0.0,,,,,,,,,,0.0,,,,,CID3237668,CCOc1cc2[nH]c(=O)n(CCCCC(=O)NCc3ccco3)c(=O)c2cc1OCC
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+,,,,,,,,0.0,,,,,,0.0,,,CID2038794,Cc1nc2nc(-c3ccco3)[nH]n2c(=O)c1C
+,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,CID2305048,COc1ccc(-c2oc(NC(C)=O)c(C#N)c2-c2ccc(OC)cc2)cc1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID2855592,COCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID666494,Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)c1
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+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID838549,CS(=O)(=O)N(CC(=O)Nc1cccc(F)c1)Cc1ccccc1
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+,0.0,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID644520,Cc1nnc(NC(=O)CSc2nnc(CCc3nc4ccccc4[nH]3)n2C)s1
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+,,,,,,,,,,,0.0,,,,,,CID767998,Cc1cc(C)n(-c2nc(N(C)C)nc(N(C)C)n2)n1
+,,,,,,,,,,,,,,0.0,,,CID1491639,CN1CCN(c2ccc3nccnc3c2)CC1
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+0.0,,,,0.0,0.0,,,,,,,,,0.0,,,CID652579,CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C
+,0.0,,0.0,,,,,,,,,,,,,,CID645649,Cc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1
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+,,,0.0,,,0.0,0.0,,,,,,,,,,CID657578,Cc1cc(-c2ccccc2)nn1-c1nc2c(c(=O)[nH]c(=O)n2C)n1C
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+,0.0,,,,,,,,,,,,,,,,CID5389201,O=C1C=C(Cl)C=C/C1=C1/NNC=C1C(=O)c1ccco1
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+,,,,,,,,0.0,,,,,,0.0,,,CID768929,CCN(c1ccccc1)S(=O)(=O)c1cc(OC)ccc1OC
+,,0.0,,,,,,0.0,0.0,,,,,,,0.0,CID654758,CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)ccc2[nH]c1=O
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+,,,,0.0,,,,,,,,,,0.0,0.0,,CID2999588,CC(c1nnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1-c1ccc(Cl)cc1)N(C)C
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+,0.0,,,,,,,,0.0,,,0.0,,,,,CID2054748,CCCSc1nc(=O)c(-c2ccccc2N)n[nH]1
+,,,0.0,,0.0,,0.0,,,0.0,,,,,,0.0,CID662454,COc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1
+,0.0,,,,,,,,,,,,,,0.0,,CID3242950,O=C(Cn1cnc2ccccc2c1=O)NCCC(=O)N1CCN(Cc2ccccc2)CC1
+,,,0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,,,CID647128,O=C(Nc1nccs1)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,,,,,0.0,,,0.0,,CID662995,CC1=Nn2c(nnc2-c2ccccc2F)SC1
+,,,,,,,,,,,0.0,,,,,,CID5307648,CCC(C)N(CCNC(=O)CC1Oc2ccccc2NC1=O)C1CCCCC1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID4454610,CCOc1cccc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)c1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID3240371,CCOc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O
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+,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID628238,CCOC(=O)c1sc(=S)n(-c2ccccc2OC)c1N
+,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID1301551,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccco3)cc2)cc1
+0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,CID646957,COc1nc(-c2ccc(C)cc2)ccc1-c1noc(-c2ccco2)n1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,,CID1017081,Cn1nnc(NCc2cc(Br)ccc2OCc2cccs2)n1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID798641,CC(C)(C)c1ccc(NC(=O)NCc2ccco2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3241188,CCCC(=O)NCCCc1nc2ccccc2n1CCC
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+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID1366543,Clc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID5310190,CC(NC(=O)C1CCCCC1)C(c1cccs1)N1CCN(C)CC1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID648386,CC(C)CCn1c(SCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,0.0,0.0,CID2851545,Cc1ccc(OCCCCn2ccnc2)c(Cl)c1
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,CID647744,COc1ccc(Nc2nc(C)c3ccccc3n2)cc1
+,,0.0,,,,,,,,,,,,,,,CID2997955,Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,,,,,,,CID663463,CCOC(=O)c1cc2cc(F)ccc2nc1C
+,,,,,,,,,,,0.0,,,,,,CID3805935,Cc1cccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc12
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID1519118,CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCN2C(=O)CCC2=O)cc1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID3237439,CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
+,0.0,,,,,,,,,,0.0,0.0,,,0.0,,CID2086878,CC(C)Cc1nnc(NC(=O)c2ccncc2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID2079709,O=C(COC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1
+,,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,CID649458,O=C(O)C1CC(=O)N(c2ccc(OCc3ccccc3Cl)cc2)C1
+,,,,,,,,,0.0,,,,,,,,CID4209814,Cc1ccc2cc3c(NC(=O)C4CCCO4)nn(CC(C)C)c3nc2c1
+,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,CID1258596,CC(=O)c1cccc(NS(=O)(=O)N2CCCCC2)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID4888431,CCC1CCCCN1c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1nc2ccccc2o1
+,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,CID542029,CC(=O)NC(c1ccccc1)c1cccnc1
+,,,,,,,,,,,,0.0,,,,,CID5310709,O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(Cl)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID3245926,COc1cccc(C2=NOC(C(=O)NCc3ccccc3)C2)c1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID892370,CCOc1ccc(OCc2cccc(C(=O)N3CCOCC3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2095484,O=C(O)c1cccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID5904767,O=C1C=C/C(=C\NNC(=O)CCC(=O)Nc2ccc(F)cc2)C(O)=C1
+,,,,,,,,,,,,,,0.0,,,CID2570042,O=[N+]([O-])c1ccc(Oc2ccc(F)cc2)c2ccncc12
+,,,,,,,,0.0,,,,,,,0.0,,CID2480848,O=C(CCCc1cccs1)N1CCN(S(=O)(=O)c2ccccc2Br)CC1
+0.0,,,,,0.0,,,,0.0,0.0,,,,,,,CID2997910,CC(C)CN(C(=O)COC(=O)Cc1c[nH]c2ccccc12)C1CCS(=O)(=O)C1
+,,0.0,,,,,,,,,,0.0,,,,,CID3132402,O=C(O)COc1ccc2c(c1)OCCO2
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,CID1117235,CC(=O)Nc1ccc(C(=O)CSc2ncn(-c3ccccc3)n2)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID662731,Cc1ccc(N2C(=O)c3n[nH]c(C)c3C2c2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID982524,C=CCn1c(SCCN2C(=O)c3ccccc3C2=O)nc2scc(-c3ccccc3)c2c1=O
+0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,,CID2165014,Cc1cc(=O)nc(SCC(=O)Nc2nnc(CC(C)C)s2)[nH]1
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID808142,Cc1cc(OCC(=O)N2CCCC2)cc(C)c1Cl
+,,0.0,,,,,,,,,,,,,,,CID3237823,Cc1csc(NC(=O)C2CCC(C)(C(=O)O)C2(C)C)n1
+0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,CID2493197,CCCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
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+,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,,CID2208905,COC(=O)c1ccc(Oc2nc(Nc3ccccc3)nc(N(C)C)n2)cc1
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+0.0,,,,,,,0.0,,,,,,,,,0.0,CID644668,O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N1CCN(C(=O)c2ccco2)CC1
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+0.0,,,,,,0.0,,,,,,,,,0.0,,CID5308458,CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,,1.0,,CID5742477,NC1=NC(c2cn(-c3ccccc3)nc2-c2cccs2)N2C(=N1)Nc1ccccc12
+0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,CID2371835,Cc1nn(-c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2)c(C)c1Cl
+0.0,,,,,,,,,,,,,,,,,CID935032,Cc1nc2nc(-c3ccco3)nn2c(C)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID896453,COC(=O)c1sccc1NC(=O)NC1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID878806,N#Cc1c2n(c3c(=S)nc[nH]c13)CCCCC2
+,,,,0.0,,,,,,,,,,,,0.0,CID2842590,CCC(C)Sc1nc(O)cc(=O)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2426889,Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c2ccccc2c1=O
+,,,0.0,,,0.0,,,,,,,,,,,CID5307504,N#Cc1ccccc1Cn1c(=O)n(Cc2ccc(C(=O)NCc3ccco3)cc2)c(=O)c2sccc21
+,0.0,,,,,,,,0.0,,,,,,,,CID5679539,Cc1cccc(N2C(=O)/C(=C\Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3C2=O)n1
+,,,,,,,,,,,,,,0.0,,,CID3772586,COc1ccc(N/N=C(\C(N)=O)C2=NC(C)(C)Cc3ccccc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID926891,Cc1cc(C)cc(OCC(=O)NNC(=O)c2ccoc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID756458,COc1ccc(Nc2nc(=O)c(C)n[nH]2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3142835,O=C(OCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,0.0,,,,,,,,,CID787314,Cc1nnc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)s1
+,,,,,,,,,,,0.0,,,,,,CID723035,COC(=O)Cn1nc(C)c2ccccc2c1=O
+,,,0.0,,,,,,,,0.0,,0.0,,,,CID2913184,Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1
+,,,,,,,,,,,,0.0,,,,,CID650630,COCCCNC(=O)C1CCCN(C(=O)Nc2ccc(OC)cc2)C1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID617036,CCCCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2095566,O=C(CCc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1179459,CCOC(=O)N1CCN(CC(=O)Nc2ccc(Oc3ccccc3)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID655916,CNC(=O)NCCN1CCCC1=O
+,,,,,,,,0.0,,,,,,,,,CID3211582,CCOc1ccccc1C(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccco1
+,,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID2851462,CCC/C(Nc1ccccc1)=C1/C(=O)CC(C)(C)C(C(=O)OC)C1=O
+0.0,,,0.0,,,,0.0,,,,,,,,,0.0,CID648700,Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC(C)(C)C)c3ccco3)n2)o1
+,0.0,0.0,,,,,,,,,,,,,,,CID3244803,Cc1ccnc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1
+0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID661063,N#CC(c1nc2ccccc2nc1N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,0.0,,,,,CID662678,CC(C#N)On1c(SC(C)C#N)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2364510,Cc1ccc(C(=O)OCC(=O)NCc2cccs2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID2274042,CCOc1ccc(N2C(=O)NC(=O)/C(=C/C=C/c3ccco3)C2=O)cc1
+0.0,,,,,,0.0,0.0,,,,,,,0.0,,,CID652497,Cc1cccc(C)c1NC(=O)C1CCCNC1
+,,,,,,,,,,0.0,,,0.0,,,,CID1993414,Cc1cccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)c1
+0.0,,,,,,,,,,,,,,,,,CID1265525,COc1cc(C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID327475,COc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID4251624,O=C(NC1CC1)c1cc(=O)c2ccccc2o1
+,,,,,,,,,,,,,,0.0,,,CID710968,COc1nc(-c2ccncc2)nc2ccccc12
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID3127810,O=C1CCC(C(=O)Nc2cccc(C(F)(F)F)c2)N1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID3000205,C=CCn1c(SCn2nnc3ccccc3c2=O)nnc1-c1ccc(Cl)cc1
+,0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,CID697318,CC(=O)N1C(=O)C(=C2C=C(C)OC(C)=C2)c2ccccc21
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID1263333,O=C(CCc1ccccc1)Nc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2s1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID2127267,COc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2)cc1
+0.0,,,0.0,,,,,,0.0,,,,,0.0,,,CID5308969,CC(Sc1nnc(Cn2c(=O)sc3ccccc32)n1C)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID11957223,COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccc(C)cc3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2997971,CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID765348,Cc1ccc([N+](=O)[O-])cc1N/C=C1\CCc2ccccc2C1=O
+,,,,,,,,,,,,0.0,,0.0,,,CID2999441,O=C(CC(SCCO)c1ccc2c(c1)OCO2)c1ccco1
+,,,,0.0,,0.0,,,,,,,,,,,CID3243154,CC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)OCO4)c(=O)n2C1c1ccc(N(C)C)cc1
+,,,,,,,,,0.0,,,,,,,,CID660187,O=C(O)CSC1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID2999686,Cc1cc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)no1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2948003,Cn1cnnc1SC1CCCCC1NS(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1236387,COc1ccc(S(=O)(=O)N2CCSC2)cc1C
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID5307781,O=C(NCCCc1ccccc1)C1CCN(c2nnc(-n3cccc3)s2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3643660,CC(OC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)N(C)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID3231457,COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC(C)(C)C)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID9550238,CCCCN(C)CCNS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID2525856,O=C(NCc1cccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID5310120,CC(NS(=O)(=O)c1ccc(Br)cc1)C(c1cccs1)N1CCN(C)CC1
+0.0,,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,,,CID3244003,O=C(NCc1cccs1)C1CCCN(c2nc3ccccc3o2)C1
+,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0,,CID2941476,CCC(Sc1nc(=O)cc(N)n1-c1cccc(C)c1)C(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,0.0,,,,CID823733,CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID664372,CCc1ccc2c(c1)c1nc(C)sc1n2CC
+,,,,,,,,,,,,,,0.0,,,CID2772578,Cc1ccc(OCCSc2nc3ncnc(N)c3[nH]2)cc1
+,,,,,,,,,,,0.0,,,,,,CID730081,CC(=O)Nc1ccc(NC(=O)c2ccccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1918497,O=C(N/C(=C/c1ccc(Br)cc1)C(=O)N1CCCC1)c1cccs1
+,,,,,,,0.0,,0.0,,,,,0.0,,,CID3242363,CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
+,,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,CID709921,CCc1ccc(Nc2oc(C)cc(=O)c2C(C)=O)cc1
+,,,,,,,,,,0.0,,,,,0.0,,CID2864745,COc1ccc2c(c1OC)C(=O)OC2CC(=O)c1ccc(N(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1268360,CCOc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1475747,c1ccc2[nH]c(Cn3cncn3)nc2c1
+,,,,,,,,,,0.0,,,,,,,CID778514,COC(=O)CN(n1cnnc1)S(=O)(=O)c1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID745385,Cc1nnc(NC(=O)c2ccc(Br)cc2)s1
+,,,,,,,,0.0,,,,,,,,0.0,CID659046,CCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1
+,0.0,,,,,0.0,0.0,,,,,,,,,0.0,CID966907,Cc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1
+,,,,,,,,0.0,,,,,,,,,CID2979946,CCC(=O)N1CCN(c2ccc(NC(=O)c3c(F)c(F)c(OC)c(F)c3F)cc2)CC1
+0.0,,,,0.0,,,,,,,,,,,,,CID935299,O=C(Nc1ccccc1)N(Cc1cccs1)C1CCCC1
+,0.0,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID1712911,Nc1c(NCCCN2CCOCC2)c2ccccc2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID2203157,COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2
+,,,,,,,,0.0,,,,,,,,,CID661925,Nc1c(C(=O)NCC2CCCO2)c2nc3ccccc3nc2n1/N=C/c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID2764741,CCOC(=O)C(=Cc1ccc(-c2ccsc2C(=O)OC)o1)C(=O)OCC
+,,,,,,,,,,,0.0,,,,,,CID3214031,Cc1nonc1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2253255,COc1cc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc(OC)c1O
+,,,,,0.0,,,,,,,,,,,,CID1370058,O=C(Cc1ccccc1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1
+,,,0.0,0.0,,,,,,,,,,,,,CID1085715,CC(C)c1nc(=S)c2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID6671502,CCOC1OC(C(=O)N2CCCCCCC2)=CC(c2coc3ccccc3c2=O)C1CCCO
+,,,,,,,0.0,,,,,,,,0.0,,CID5389079,C1=NC2=NC3=C(CCCc4ccccc43)C(c3ccccc3)N2N1
+,,,,,,,,,,,,,,0.0,,,CID1479121,N#Cc1cc(-c2cccc(Cl)c2)c[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID1226682,Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID653718,Cc1cccc2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c12
+0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,0.0,CID650535,CCCn1c(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)nc2ccccc21
+,,,0.0,,,,,0.0,,,,,,,,,CID876601,CC(=O)Cn1c(C(F)(F)F)nc2ccccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID1125807,Cc1c(N2C(=O)c3ccc(Br)cc3C2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID1510419,O=C(O)CCCn1cc(NC(=O)COc2cc(F)ccc2[N+](=O)[O-])cn1
+,,,,,,,,,,,,,,,,0.0,CID3238641,COc1ccc(OCc2cccc(C(=O)O)c2)cc1
+,0.0,0.0,,,,,0.0,,0.0,0.0,,,0.0,,0.0,,CID2079375,CCc1ccccc1Nc1nc(N)nc(CSCC(=O)c2cc(C)n(C)c2C)n1
+,,,,,,0.0,,,,,,0.0,,,,,CID3236997,CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCN(C(=O)OCC)CC2)c1C
+,,,,0.0,,0.0,,0.0,,,0.0,,,,,,CID2215727,COC(=O)c1ccsc1NC(=O)CSc1nnnn1-c1ccccc1SC
+,,,,,,,,,,,,,,0.0,,,CID2365437,COc1cc(OC)c(C(=O)OCC(=O)NCCc2ccccc2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2275810,Cc1ccc(N2C(=O)NC(=O)/C(=C\C=C\c3ccco3)C2=O)cc1C
+,,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID935141,COC(=O)Cc1c(C)nc2nc(Cc3ccccc3)[nH]n2c1=O
+,,,,0.0,,,,,0.0,,,,0.0,,,,CID732488,Cc1nc(-c2ccc(NC(=O)c3cccs3)cc2)cs1
+0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,CID656324,CNC(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1
+0.0,,0.0,,,,,,,,,,,,,,,CID664780,CN1CCN(/C=C2\SC(=S)NC2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID3245768,CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(C(=O)OCC)CC2)C1
+,,,,,,,,,,0.0,0.0,,,,,,CID2976321,CCC(c1nc2ccccc2c(=O)n1CCCn1ccnc1)N1C(=O)c2ccccc2C1=O
+,,,,0.0,,,,,,,,,,,0.0,,CID1345345,COc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1OC
+,,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,CID3238608,CCOC(=O)c1ccc(NC(=O)CSc2nnc(CNC(=O)c3c(F)cccc3Cl)o2)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID654288,CCOC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)o1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID5307994,Cc1cccc(N2CCN(C(=O)CS(=O)(=O)Cc3nc(-c4ccccc4F)oc3C)CC2C)c1
+,,,,,,,,,0.0,,,,,,,,CID2975612,Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)o1
+,,,,,0.0,,,,,,0.0,,,,,,CID1010824,Cc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID4170685,COc1cccc(C2CC3C(=O)C=CC2N3Cc2ccccc2)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2565451,CCOC(=O)c1sc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)nc1C
+0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,,CID644975,CCOC(=O)Nc1cc(OCC)c(NC(=O)C2CC2)cc1OCC
+0.0,,,,0.0,,,0.0,,,,0.0,,,,,0.0,CID993259,Cc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)no1
+,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,CID3240737,COc1ccc2c(c1)CCc1c(C(=O)NCCc3ccc(OC)c(OC)c3)noc1-2
+,0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,CID651484,Cc1cccc(-n2c(N)cc(=O)nc2SCC(=O)Nc2cc(C)on2)c1
+,,,,0.0,,,,,,,,,,,,,CID2164709,COC(=O)c1ccccc1NC(=O)c1cnn2c(C(F)F)cc(C3CC3)nc12
+,,,,,,,,,,,0.0,,0.0,,,,CID962497,CCN(c1cccc(C)c1)S(=O)(=O)c1cccc(C(=O)O)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID684033,C/C(=N\n1nnnc1Nc1ccccc1)c1ccc(N)cc1
+,,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,CID1341058,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccncc3)CC2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID3141790,CNC(=O)C1CC(=O)N(CCc2ccc(OC)cc2)/C(=N/c2ccc(OC)cc2)S1
+,,,0.0,,0.0,,,,,,0.0,,,,0.0,,CID654474,c1coc(CNC2CCCCCCC2)c1
+,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID2126008,Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)Nc2cc(C)on2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1943061,CN(C)CCCNC(=O)/C=C/c1ccc2c(c1)OCO2
+,,,0.0,,,,,,0.0,,,,,,,,CID893367,CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID655615,Cn1c(SCC(=O)NC2CC2)nnc1-c1ccco1
+0.0,,,,,0.0,,,,,,,,,,,,CID5307910,O=C(CCSCCc1ccccn1)Nc1nccs1
+0.0,,,,,,,0.0,,,,,,,0.0,,0.0,CID3244413,COc1ccccc1-c1cc(C(=O)NC(C)c2ccccc2)no1
+,,,,0.0,,,,,,,,0.0,,,,,CID3244382,COc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
+,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,,,CID665395,Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1
+0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID653002,O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID2882973,CC(NC(=O)CCOc1ccccc1)c1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID893940,O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1Cc1ccco1
+0.0,,,,,,,,,,,,,,,,,CID646451,CN1CCN(C(c2cccc(C(F)(F)F)c2)c2nnnn2Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3593971,CCCCCCOc1ccc(N2C(=O)CC(S/C(=N/CC)NCC)C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID651601,COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCOCC3)o2)cc(OC)c1OC
+,,,,,,,,,,0.0,,,,,,,CID3186660,CCCCn1c(SCc2ccccn2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,,,CID2093398,Cc1noc(C)c1CSc1nnc(-c2ccccc2)n1Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID16188035,CCOC(=O)C1CCN(C(=O)CCc2c(C)nc3cc(-c4ccc(OC)cc4OC)nn3c2C)CC1
+0.0,,,,,0.0,,,,,,,,,,,,CID3243286,CCc1ccc(-c2nc(CN3CCC(C(=O)NCc4ccco4)CC3)c(C)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID765179,O=C(COC(=O)c1cccnc1)c1ccc(Br)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID2238434,CCOC(=O)c1cc(OC(=O)c2ccccc2Br)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID2764231,NNC(=O)c1sccc1OCc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID16187908,COc1cccc(CN2CCCC(C(=O)c3ccc4c(c3)OCO4)C2)c1O
+,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID2568758,Cc1cccc(C(=O)Nc2ccccc2C(=O)OCc2c(C)noc2C)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID16834,c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1374630,Cc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccccc3)n2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID648213,COC(=O)c1cccc(NC(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID979445,CCOC(=O)c1c(C)oc2cc(Br)c(OCC(N)=O)cc12
+,0.0,,,,,0.0,0.0,,0.0,0.0,,,,,,,CID784224,Cc1ccc(CNc2ccc3c(c2)OCO3)cc1
+,,,,,1.0,,,,,,,,,,,,CID5898101,CCCCN(CCCC)C1=Nc2ccccc2N/C1=C(/C#N)C(=O)OCC
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID3240109,CC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID4123589,CSc1ccccc1NC(=O)c1cnc2n(c1=O)CCS2
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID658880,CN(C)c1nc(OCCNC(=O)Nc2ccccc2)nc(N(C)C)n1
+,0.0,,,,,,0.0,,,,,,,0.0,0.0,,CID3245415,Cc1ccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)nc1
+,,,,,,0.0,,,,,,,,,,,CID658850,Cc1ccsc1C1NC(=O)c2c(sc3c2CCCC3)N1
+,,,,,,,,,0.0,0.0,,,,,,,CID3133621,C=C(C)C1Cc2c(C)nn(-c3cc(C)c4ccccc4n3)c2C1
+,,,,,,,,0.0,,,,,,,,,CID1068610,CC1CCN(S(=O)(=O)c2cc(Cl)ccc2Br)CC1
+,,,,,,,,,,,,,0.0,,,,CID2460786,CCc1nc2ccc(C(=O)Nc3ccc(NC(C)=O)cc3)cc2nc1CC
+,,,,0.0,0.0,,0.0,,,,,,,,0.0,,CID3239941,COc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2Cc2ccccc2)cc1OC
+,,,,,,,,,0.0,,0.0,,,,,,CID3212129,CCc1ccc(C(C(=O)NCCOC)N(C(=O)Cn2nnc3ccccc32)c2cccnc2)cc1
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID619837,COc1cccc(-c2nc(-c3ccccc3)no2)c1
+,0.0,,,,,,,,,,0.0,,,,0.0,,CID665531,O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCN(c4ccccc4)CC3)ncc21
+,,,,,0.0,,,,,,,,0.0,,,,CID1363897,CCOc1cc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)ccc1O
+,,,,,,,,,0.0,,,,,,,,CID2967386,COc1ccc(S(=O)(=O)NC(C)C(=O)Nc2ccccc2C(F)(F)F)cc1
+0.0,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,,CID665161,CCOC(=O)Cc1nnc(NC(=O)c2cccc(OCC)c2)s1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID2798860,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nnc(C2CC2)s1
+,,,,,0.0,,,,,,,,,,,,CID1169033,Cc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3)cs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID79195,COC(=O)c1cccc(OC)c1[N+](=O)[O-]
+,,,,,,,,,0.0,,0.0,,,,,,CID761083,Cc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)o1
+0.0,,,,,,,0.0,,,,,,,,,,CID3242842,COc1cc(C(=O)NCCC(=O)NCCN2CCCCCC2)cc(OC)c1OC
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID1245227,CS(=O)(=O)N1CCN(C(=O)c2c(F)cccc2F)CC1
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+,0.0,0.0,,,,,,,,,,,,,,,CID5310062,CCc1nc(SCC(=O)Nc2cc(C)on2)c2c(=O)n(C)c(=O)n(C)c2n1
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+0.0,,0.0,0.0,,,,,,,0.0,,,,,,,CID2997631,OCCn1c(CSc2nnc(-c3ccco3)n2-c2ccccc2)nc2ccc(Cl)cc21
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID873914,CC(C)(C)c1ccc(OCC(=O)N2CCN(C=O)CC2)cc1
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+,,,,,0.0,,,,,,,,,,,0.0,CID3239893,CCOC(=O)N1CCC(NC(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID2997841,O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1818703,CCCN(CC(=O)Nc1c(C)cccc1CC)C(=O)SCC
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+,,,,,,,,,,,0.0,,,,0.0,,CID3000225,CC(C(=O)N1CCc2ccccc21)N1CCc2ccccc2C1
+,0.0,,,,,,0.0,,,,,,,,,,CID658201,Cc1cc(C)n(CC(=O)n2c3c(c4ccccc42)CCCC3)n1
+0.0,0.0,0.0,,,,0.0,,0.0,0.0,,0.0,,,,,,CID1295396,COc1nc(-c2ccccc2)ccc1-c1noc(COc2ccccc2)n1
+,,,,,,,,0.0,0.0,,,,,,,,CID3225002,CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccccn2)C2CC2)C1=O
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+,0.0,,,,,,,,0.0,,,,,,,,CID657883,CSc1nc2nc3c(c-2c2[nH]ncn12)CC(C)(C)OC3
+,,,,,,,,,,,,,,0.0,,,CID851309,O=C(CS(=O)(=O)c1ccc2ccccc2c1)N1CCCCCC1
+,0.0,,,0.0,,,,,,,,,,,,,CID2274649,C(=C/CSc1nnnn1-c1ccccc1)\CSc1nnnn1-c1ccccc1
+,0.0,,,,0.0,,,,,0.0,,,,,,,CID5308743,Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccccc2F)nc1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID3243170,COc1ccc(CN2C(=O)c3cccnc3C2Nc2cc(Cl)ccc2OC)cc1
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+,,,,,,,,,,,0.0,,,,,,CID3181600,O=C(CN(Cc1ccccc1)C(=O)CSc1nnc(COc2ccccc2)o1)NC1CCCC1
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+,,0.0,,,,0.0,,,,,,,,,,0.0,CID656348,CCS(=O)(=O)CCSc1nc(C)cc(C)n1
+,,,,,,,0.0,,,,,,,,,,CID10365,O=C(O)c1ccnc(C(=O)O)c1
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+,,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID647925,COC(=O)c1sc(NC(=O)COc2ccccc2)nc1C
+,,,,,0.0,,,,0.0,,,,,,,,CID4063456,COc1ccccc1C1NC(c2ccccc2OC)C(C)C(=O)C1C
+,,,0.0,,,,,,,,,,,0.0,,,CID2359762,CCN(C(=O)COC(=O)c1cnc(C)cn1)C1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID869248,Clc1ccc(Cl)c(OCCN2CCOCC2)c1
+0.0,,,,,,,,,,,,,,,,,CID3241960,CC(C)N1CCC2(CC1)N=C(c1ccc3c(c1)OCO3)CC(c1cc(Cl)ccc1O)N2
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+,,,,,,,,,,,,,,0.0,,,CID2389097,Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2209781,COc1cccc(NC(=O)C(=O)N2CCOCC2)c1
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+,,0.0,,,,,,,,,,,,,,,CID2881566,CCCCNC(=O)NC1C(NC(=O)NCCCC)N(C)C(=O)N1C
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID1952823,CCOC(=O)c1cnc2nc(COc3ccccc3)[nH]n2c1=O
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+,,0.0,,,,,,0.0,,0.0,0.0,0.0,,,0.0,0.0,CID1311845,CCOC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1
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+,0.0,,,,,,,0.0,0.0,,,,,0.0,,0.0,CID3238430,CCN(CCCNC(=O)CCn1c(=O)[nH]c2ccccc2c1=O)c1ccccc1
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+,0.0,,,,,,,,,0.0,,0.0,,0.0,0.0,0.0,CID5308516,O=C(Cn1cc2c(n1)CCCCC2)N1CCCCC1
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+,,,,,,,,,,,,,0.0,0.0,,,CID2027065,COc1ccc(Br)cc1CNn1c(C)n[nH]c1=S
+,,,,,,,,,,,,,,0.0,,,CID2559432,CCN(CC)C(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1
+,,,,,0.0,,,,,,,,,,,,CID2235475,O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O
+,,,,,,,,,,,0.0,,,,,,CID900368,CCOc1cc(CO)cc(Br)c1OCC(=O)O
+,0.0,,,,0.0,,0.0,0.0,,,,,,,,,CID3240316,CCCCN(C)C(=O)c1coc(=O)c2ccccc12
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID2999057,COC1=C(OC)c2ccccc2C(C(=O)O)N/C1=C(/C)Nc1ccncc1
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+,0.0,,0.0,,,,,,,,0.0,,,,,,CID660525,C(=N/n1cnnc1)\c1cccnc1
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+,0.0,,,,,,,,,,,0.0,,0.0,,,CID760047,CCc1cc2c(=O)n(-c3ccccc3)cnc2s1
+,1.0,,,,,,,,,,,0.0,,,,,CID644968,COc1ccccc1CNC(=O)Cn1nnc(-c2ccncc2)n1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID1249798,Cc1cc(OC(=O)c2ccco2)c2c(C)cc(=O)oc2c1
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+,,,,,,,,,,,,,0.0,,,,CID2229235,CS(=O)(=O)Nc1ccccc1C(=O)NCCSCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID851643,CCC(=O)Nc1ccc(OCc2nc3ccccc3s2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1489303,COC(=O)c1ccc(S(=O)(=O)c2ccccc2)c(N)c1
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+,,0.0,,,0.0,,,,,,,,,,0.0,,CID3237954,CCNc1nc(SCCOc2ccc(C)cc2)nc(N(C)C)n1
+,,,,,,0.0,,,,,,,,,,0.0,CID929916,CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCO)CO1
+,,,,,0.0,,,,,0.0,,,,,,,CID9551951,CCC(C)n1c(SCC(=O)Nc2cc(C)on2)nc2ccccc2c1=O
+,,,0.0,,,,,,,0.0,,,,,,,CID360857,c1ccc(-c2csc3ncn4cnnc4c23)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID757225,O=C(CCN1C(=O)c2ccccc2C1=O)NCCN1CCOCC1
+,,,,,,,,,,0.0,,,,,0.0,,CID3240941,COc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OC
+,,,,,,,,,,,,0.0,,,,,CID2865441,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NC2CCCCC2O)cc1
+,,0.0,,,,,,,,,,,,,,,CID5332379,Cc1ccc(N/C=C2\C=CC(=O)C=C2O)cc1F
+,,,,,,,,,,,0.0,,0.0,,,,CID6619116,O=C(COc1ccc2c(c1)C(=O)CC1(CCCCC1)O2)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2227042,CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2765794,O=c1c2ccccc2nc2n1C(CBr)CS2
+,,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID652871,CC(C)OC(=O)CSc1nnc(Cc2ccccc2)n1C
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+,,,,,0.0,,,,,,,,,,,,CID3248327,COc1cccc2[nH]c3c(N4CC(C)CC(C)C4)ncnc3c12
+,,0.0,,,,,,0.0,,,,,,,,,CID650517,CCC(c1nnnn1C(C)(C)CC)N(CCCO)Cc1cc2cc(C)cc(C)c2[nH]c1=O
+,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,,0.0,,CID683944,O=C(NCc1ccc2c(c1)OCO2)c1cccs1
+,,,0.0,,,,,,,,,,,,,0.0,CID666750,CC(=O)Nc1ccc2c(c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1CCCN21
+,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,,CID1302330,Cc1c(NC(=O)c2cc(-c3ccccc3)on2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,0.0,,,,CID2877107,Cc1nc2ccccc2n1CC(O)COC1CCCCC1
+,,,,,0.0,,,,0.0,,,,,,,,CID2484145,Cc1sc2ncnc(OCC(=O)NC(C)C)c2c1C
+,,,,,,,,,,,,,0.0,,,,CID842418,COc1ccc(C(=O)c2nc3ccccc3n2C(C)C)cc1
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID652840,Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)o2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID3119630,O=C(Nc1cc2c3c(c1)C1CCCC1CN3CC1CCCC21)c1ccccc1
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID2998473,O=C(COC(=O)C1COc2ccccc2O1)Nc1ccc2c(c1)CCC2
+,,0.0,,,,,,0.0,,,,0.0,0.0,,,,CID655513,CCOc1nc(C)ccc1-c1noc(-c2ccccc2OC)n1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,,CID2092395,CCOC(=O)Nc1cccc(OCC(=O)Nc2ccccc2OC)c1
+,,,,,0.0,,,,,,,,,,,,CID2265965,Cc1cccc(NC(=O)C(=O)NCc2ccc3c(c2)OCO3)c1C
+,0.0,,,,,,,,,,,,,,,0.0,CID649502,COCCCn1c(SCC(=O)N2CCCC(C)C2)nnc1-c1ccco1
+,,,,,,,0.0,,,,,,,,0.0,,CID3239570,CCOC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5736528,Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2c[nH]c3ccccc23)cc1C
+,,,,0.0,,,,,,,,,,,0.0,,CID1778871,CCS(=O)(=O)c1nnnn1-c1ccccc1S(C)(=O)=O
+0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,,,,CID644596,CCc1nc(C)cn1S(=O)(=O)c1cc(OC)c(C)cc1C
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID866272,CCn1cnc2cc(NCc3ccc(OC)cc3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID5346508,Cc1ccc2c(c1)N/C(=C1/C=CC(NC(=O)c3ccc(C(C)(C)C)cc3)=CC1=O)O2
+,,,,,,,,,,,,,0.0,,,,CID1353675,O=C(N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1562631,COc1ccc(N(CCC#N)C(=O)/C(C#N)=C/c2cccs2)cc1
+0.0,,,,,,,,,0.0,,,0.0,0.0,,,,CID967722,O=C(c1ccc(NS(=O)(=O)c2ccccc2)cc1)N1CCCC1
+,,,,,0.0,,,0.0,,,,,0.0,,,0.0,CID2922170,O=C(O)CC(Cc1ccccc1)c1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID4210206,CC(C)CC(=O)Nc1nc(=O)c2c([nH]1)CCCC2
+0.0,,,,,,,,,,,,,,,,,CID664293,Cn1c2ccccc2c2nn(-c3ccccc3)c(=O)cc21
+,0.0,,,,,0.0,,,0.0,0.0,,0.0,,,,,CID650210,CCS(=O)(=O)n1nc(-c2ccco2)nc1SC
+,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID660460,COC(=O)C(NC(=O)c1ccco1)(Nc1nc(C)cs1)C(F)(F)F
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID3243426,Cc1ccc(CNC(=O)Cn2c(=O)oc3ccccc32)o1
+0.0,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,CID647239,CCCn1c(SCC(=O)NCc2cccs2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,,,,,,,,,,,,,,,CID3237425,O=C(CCN1CCN(CC(=O)Nc2ccccc2F)CC1)Nc1ccccc1F
+0.0,,,,0.0,,,,,,,,,,,,,CID654464,O=C(Cc1cccs1)N1CCCC(c2nc3n(Cc4cccc(Cl)c4)[nH]nc-3c(=O)n2)C1
+,,,0.0,,0.0,,,,,0.0,,,,,,,CID747185,Cc1cc2nc(SCCN3CCCC3)[nH]c2cc1C
+,,,0.0,,,,,,,,,,,,,,CID5308932,CCCCNC(=O)c1ccc2c(c1)N(CC)C(=O)c1ccccc1S2(=O)=O
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID3241281,CCOC(=O)N1CCC(NC(=O)CSc2cc(=O)n(C)c3ccccc23)CC1
+,,,,,,,0.0,,,,,,,,,,CID3244175,Cn1c(=O)cc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID12004942,CC(C)c1onc(C(=O)NCc2ccc(Cl)cc2)c1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID1046265,COc1ccccc1-n1c(-c2cc(-c3ccc(F)cc3)n[nH]2)n[nH]c1=S
+,,,,,,,,,,,,,,1.0,,,CID828591,Nc1nc(-c2ccco2)nn1C(=O)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,0.0,0.0,0.0,CID3241446,CC(C)NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID2554360,CC(=O)Nc1ccc(-c2csc(NC(=O)Nc3ccccc3)n2)cc1
+,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,CID2939122,COc1cccc(N2C(=O)C3CC=C(Cl)CC3C2=O)c1
+,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,,CID644604,CCOc1ccc2[nH]c(=O)c(CN(C(=O)N3CCOCC3)C3CC3)cc2c1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2997893,CC1(Cc2ccc3c(c2)OCO3)NC(=O)NC1=O
+,,,,,,,,,,,,,,,0.0,,CID3242473,CC(C(=O)N1CCCc2c1c(=O)oc1ccc(O)cc21)N1CCc2ccccc2C1
+,0.0,,,,,,,0.0,,,,,,,,0.0,CID655118,O=C(CC(c1ccccc1)c1ccccc1O)NCCN1CCOCC1
+,,0.0,,,,,,,0.0,,,0.0,,0.0,,,CID351912,CCOC(=O)CSc1nnc(N)s1
+,,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID3238576,Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(S(=O)(=O)N4CCOCC4)cc2)CSC3)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID2849131,CCOC(=O)CCC(NC(=O)c1ccc(NCN2C(=O)CCC2=O)cc1)C(=O)OCC
+,,,,,,,0.0,,,,,,,0.0,,,CID652552,CCCCOC(=O)CN1C(=O)c2ccc(C(=O)OCCCC)cc2C1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID659785,Nc1nonc1-c1noc(-c2ccccc2)n1
+0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,0.0,CID651371,CCOc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID843822,CCC(CC)=C(C#N)C(=O)NC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3821190,O=C(c1ccccc1)c1c[nH]c(C(=O)NCCCn2ccnc2)c1
+,,,,,0.0,,,,,,,,,,,,CID3413199,CCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2nc3ccccc3nc21
+,,,0.0,,,,,0.0,,,,,,,,,CID2962152,CCOC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
+,,,,0.0,0.0,,0.0,,,,,0.0,,,,0.0,CID644703,CCOC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(OCC)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID2297216,CCOC(=O)C(CCOc1cccc(CC)c1)C(=O)OCC
+,,,,,,,,,,,0.0,,,,,,CID2336741,CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccnc2)ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1478446,FC(F)(F)c1cc(Oc2ccccc2Cl)nc(-c2ccccn2)n1
+,,,,,,,,,0.0,,,,,,,,CID1992382,COc1ccc(/C=N/n2c(N)c(S(=O)(=O)c3cccs3)c3nc4ccccc4nc32)cc1OC
+0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,,CID4994083,O=C1c2ccccc2C(=O)N1CCCc1nc(-c2ccc(Cl)cc2)no1
+,,,,,,,,,0.0,,,,,,,,CID662179,CC(C)OCCCNC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
+,,,,,0.0,,,,,,,,,,,,CID2231696,Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4cccs4)cc3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID585328,CCOC(=O)C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID2968760,Cc1ccc(N(C(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)S(C)(=O)=O)cc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID2838740,CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID3241524,CCOC(=O)CCc1c(C)nc2ncnn2c1C
+,,,,,,,,,0.0,,,,0.0,,,,CID779241,CC(C)(C)NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1
+,,,,,,0.0,0.0,0.0,0.0,,,,,,,,CID869497,COc1ccccc1CC(=O)N1CCCC1
+,0.0,,,,,,,,,,,,,,,,CID2947833,Cc1cccc(N2C(=O)N(c3ccccc3C)C3CS(=O)(=O)CC32)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID846343,COc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1OC
+,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID779296,O=C(O)c1ccccc1SCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID646716,CC(=O)NC1C(=O)N=C(SCC(=O)NC2CCCCC2)NC1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID2339470,O=C(COC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)NCc1ccco1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID3245325,O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2123181,CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(CN2CCOCC2)nc2sc(C)c(C)c12
+,,,0.0,,,,,,,,,,,,,,CID2952733,CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3OC)n2)C1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID648281,COc1ccc(CC(=O)NC2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)cc1OC
+,,,,,,,,,,,,,,,,0.0,CID5742519,CCOC(=O)/C=C1\SCC(=O)N1CCOc1cccc(Br)c1
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID645205,CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(F)cc2)n1
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+,,,,,,,,,,,,,0.0,,,,CID2342037,NNC(=O)c1ccc(CSc2cccc3cccnc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID4266964,Cc1ccc(C2(C)NC(=O)N(CC(=O)NCc3cccs3)C2=O)cc1
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+,,,0.0,0.0,,,,,,,,,,,0.0,,CID2973406,NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(N2CCCC2=O)cc1
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+,,,,,,,0.0,,,,,,,,0.0,,CID5309242,O=C(NC1CCCc2ccccc21)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,,,,,,,,0.0,,,,CID16195548,CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)NCCCN4CCC(C)CC4)n3)c(=O)oc12
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+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID910585,CN(C)c1ccc(/C=C/c2cc[n+]([O-])cc2)cc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID3240271,COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cccc5nonc45)C3)sc2c1
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+,,,,,,0.0,,0.0,,0.0,,,,,,,CID3238438,CC(=O)NCCn1c(SCC(=O)OCc2ccccc2)nc2ccccc2c1=O
+,,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID626557,CCn1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21
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+,,,,0.0,0.0,,0.0,,,,,,0.0,,,0.0,CID3241799,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2300539,Cc1nn(Cc2ccccc2)c(C)c1C=C1C(=O)NC(=O)NC1=O
+,0.0,,0.0,,,,,0.0,,,,,,,0.0,,CID656145,CCn1c(SCc2cc(=O)[nH]c3ccccc23)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1209375,O=C(O)c1ccc(COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1
+0.0,,,,,,,,,0.0,,,,,,0.0,,CID2353836,CCCCOC(=O)Nc1ccc(OC)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID3193609,CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCCCCC1
+,,,,,,,0.0,,,,,,,,,,CID5307642,CCOCCCNC(=O)Cn1cc2c(n1)CCCCC2
+,,0.0,,,,,,,,,,,0.0,,,,CID644612,O=C(CN1C(=O)c2ccccc2S1(=O)=O)N1CCN(c2ccccc2F)CC1
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+0.0,,,0.0,0.0,,,,0.0,,,,,,,,,CID2830433,CC1=C(C(=O)OC(C)C)C(c2c(O)ccc3ccccc23)NC(=O)N1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID1050462,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2ccccc2)CC1
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+,,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID594394,Cc1nc2ccccc2cc1O
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID2987428,CS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
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+,0.0,,,,,,,,0.0,,,,,,,,CID644836,O=C(NCc1ccccn1)c1cc2ccccc2oc1=O
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+,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,0.0,,CID2224678,COCCCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID943371,CCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1
+0.0,,,0.0,0.0,,,,,,,,,0.0,,,0.0,CID1304744,CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1
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+,,,,,,,,,,,,,,0.0,,,CID3130546,Cc1cccc(Nc2ccc([N+](=O)[O-])cc2C(=O)O)c1
+,,,,,,,,,,0.0,,,,,,,CID4294318,CCCCNC(=O)c1ccc2c(c1)ncn2C1CCCC1
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,0.0,CID2001334,CCCOc1ccc(C(=O)N2CCN(c3ccc(N)cc3Cl)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID583674,CC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5389210,COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID761841,Cc1ccc(C(=O)Cn2nnc3ccccc32)cc1
+0.0,,,0.0,,,,,,,,,,,,,0.0,CID3413463,Cc1c(C(=O)N2CCCC2)oc2c1-c1[nH]ncc1CC2
+0.0,,,,,,,,,,0.0,,0.0,,,,,CID3237403,COc1ccccc1-n1cc(C(=O)NCC(=O)N2CCN(c3ccccn3)CC2)c2ccccc2c1=O
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID2906489,S=c1[nH]nc(-c2ccccc2)n1C1C=CCCC1
+,,,,,,,,,,,,,,0.0,,,CID775978,O=c1cc(-c2ccccc2[N+](=O)[O-])oc2ccccc12
+,,,,,,,,,,,,0.0,,,,0.0,CID2963306,CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID3239625,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(OC(=O)c2ccco2)c1
+,,,,,,,,,,,0.0,,,,,,CID100278,C=C(C)n1c(=O)[nH]c2ccccc21
+,,,0.0,,,,,,,0.0,,,,,,,CID4058355,CSC1=NCCN1C(=O)Cc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2115912,O=c1c2ccccc2nnn1COc1ccc(Cl)cc1Br
+0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,,0.0,CID660885,N#C/C(C(=O)NCc1ccco1)=C1/SC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccc1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID659103,C=CCNC(CC)=C1C(=O)CCCC1=O
+,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,CID2216933,CN1CCc2nc(SCCOc3ccccc3)c(C#N)cc2C1
+,,,,,,0.0,0.0,,,0.0,,,,,,0.0,CID646527,O=C(Cc1ccccc1)NC1CCN(S(=O)(=O)c2cccc(F)c2)CC1
+0.0,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,CID2496260,COc1ccc(NC(=O)CNc2cccc(C#N)c2)cc1Cl
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+,,,,,0.0,,,,,,,,,,,,CID5349605,CN1CCN(CC2=c3oc(=O)/c(=C4/C=CC=CN4)cc3C=CC2=O)CC1
+,,0.0,,,,,,,,,,,,,,0.0,CID648774,COc1ccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID2551219,COc1ccc(NC(=O)COC(=O)c2c(C)noc2C)c(OC)c1
+,,,,,,0.0,,,0.0,,,,,,,,CID647365,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1CC1CCCO1)N1CCCCCC1)OCO3
+,,,,,,,,,0.0,,,,,,,,CID4977394,O=C(CCC(=O)NC1CCCCCCC1)Nc1nnc(C(F)(F)F)s1
+,,,,,,,,,,,0.0,,,,,,CID2501092,c1ccc(-c2n[nH]c(-c3ccccn3)n2)cc1
+,0.0,,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,0.0,,CID2352919,O=C(COC(=O)c1ccco1)Nc1ccccc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3241315,O=C(CCNS(=O)(=O)c1cccc2nonc12)NCCc1ccc(Cl)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID767317,COc1cccc2cc(-c3cn4cccc(C)c4n3)c(=O)oc12
+,0.0,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID726154,COC(=O)CCC(=O)Nc1ccc(OC)cc1
+,0.0,,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,CID2237723,CCOc1ccc(-c2nc3n(c(=O)c2C#N)CCCS3)cc1
+,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,CID836479,CSc1cccc(NS(=O)(=O)c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID1911927,Nc1c(C(=O)NCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID1017371,CN(C)c1ccc(CNn2cnnc2SCC(=O)NC(C)(C)C)cc1
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID743355,N#Cc1c2c(c(NCc3ccco3)n3c1nc1ccccc13)CCC2
+,,,,,,,,,,,,,,,0.0,,CID662673,Cn1c(SCc2ccc(Br)cc2)nnc1-c1cccs1
+,0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,,CID1298379,Nc1ncnc2nc(SCC(=O)N3CCN(c4ccccc4)CC3)[nH]c12
+,,,,,,0.0,,0.0,,,,,,,,,CID5309346,Clc1ccc(C2CC(c3cccs3)N3NC=NC3=N2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID5389237,O=C1C=C/C(=C\Nc2ccc3ncccc3c2)C(O)=C1
+,,,,0.0,,,,,,,,,,,,0.0,CID2964177,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccn2)CC1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID3239766,O=C1C=C(N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)C2(CCCCC2)O1
+,,,,,,,,,,,,,0.0,,,,CID2446118,O=S(=O)(c1ccc2ccccc2c1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1
+,,,,0.0,,,,,,,,0.0,,,,,CID652067,Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1C
+,,,,,,,0.0,,,,,,,,,,CID5307274,Cc1ccc2c(c1)-c1c(cnn1CC(=O)Nc1ccccc1N1CCN(C)CC1)CO2
+,,,,,,,,,,,,0.0,,,0.0,,CID5308478,O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccnc2)C1
+,0.0,,,,,,,,,,,,,,,,CID620094,CCOC(=O)c1cnc2c(C#N)c3c(cn2c1=O)CCCN3
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID5309211,Cc1cccc(-c2nc(CS(=O)CC(=O)N3CCc4ccccc4C3)c(C)o2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1172189,Cc1cccc(NC(=O)c2c(C)nc3ccccn23)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID4403593,Cc1ccc2c(c1)C(c1ccc(F)cc1)N(C(=O)C1CC1)CC(=O)N2
+,,,,,,,0.0,,,,,,,,,,CID666968,CC1(C)OC(=O)C2(Cc3ccccc3N3CCCCC32)C(=O)O1
+,,,,,,,,,,,,,0.0,,,,CID269609,Cc1cc(=O)oc2cc(OS(C)(=O)=O)ccc12
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1803739,CC/N=C1/S/C(=C\c2cn(C(C)=O)nc2-c2ccccc2)C(=O)N1CC
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID932611,CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1
+,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,CID809705,COC(=O)c1ccccc1NC(=O)COc1ccccc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1239076,CCc1cc2cc(C(=O)N3CCN(c4ccccc4)CC3)sc2s1
+,,,,,,,,,0.0,,0.0,,,,,,CID655895,CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID664519,c1ccc(-n2ncc3c2ncn2c(C4CCCCC4)nnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID4163626,COc1ccc(C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID663701,CC1CC(C)CN(c2ncc3c(n2)CC(c2ccc(Cl)cc2)CC3=O)C1
+,,,,,,,,0.0,,0.0,,,,,,,CID1478661,O=c1c2ccccc2cnn1-c1ccc(Br)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3235838,Cc1cccc(CS(=O)(=O)Cc2ccc(C(=O)NCCN3CCCCC3C)o2)c1
+,,,,,,,,,0.0,,,,,,0.0,,CID666181,Cc1cccc(Nc2nc(N)nc(CN3CCN(c4ccccc4)CC3)n2)c1
+,,0.0,,,,,,,0.0,,,,,,,,CID662492,Cc1sc2nc(SCC(=O)OC(C)C)n(C)c(=O)c2c1C
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID861897,O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID1471387,Cc1noc(C)c1C(=O)N1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,CID666483,CC(C)OCCCNc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O
+0.0,,,,,,0.0,,,0.0,,0.0,,,,,0.0,CID2922060,CC1=C(C(=O)OCc2ccccc2)C(c2ccc(N3CCOCC3)cc2)NC(=O)N1
+,,,,,,,,,,0.0,,,,,,,CID9551387,Cc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccc4nsnc34)C(C)C)sc2c1
+,,,0.0,,,,,,,,,,0.0,,,,CID2022,Nc1nc(=O)c2ncn(COCCO)c2[nH]1
+,,,,,,,,,,,0.0,,,,,,CID2293443,CC(=O)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID973720,COC(=O)Cc1[nH]nc2c1C1(CCSCC1)C(C#N)=C(N)O2
+,,,,,,,,0.0,,,,,,,,,CID2271496,CCN(CC)C(=O)CN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1
+0.0,,,,,,,,,,,,,,,,,CID653089,CCOC(=O)N1CCC(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccc(OC)c4)nc23)CC1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID5308877,CCc1ccc(-c2nc(CN3CCCC(C(=O)O)C3)c(C)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2468633,COc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID646060,CCCn1c(SCC(=O)NCc2ccco2)nnc1C(C)C
+0.0,,,,,,,,,,,0.0,0.0,,,,,CID3239489,O=C1C2CCCN2C(c2ccccc2)N1c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1559960,CN1C(=O)/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)SC1=S
+,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,CID3236609,CCCCOC(=O)CSC1=C(C#N)C(c2ccccc2OCC)C(C#N)C(=O)N1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID651234,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)N3CCCC3)cc2c1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID655322,COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3cccc4nsnc34)cc2c1
+,,,,,,,,,0.0,,,,,,,,CID1987481,C=CCn1c(SCc2cccc3ccccc23)nnc1-c1cccnc1
+,,,0.0,,,,,,,,,,,,,,CID654062,COC(=O)CSc1ncc(C#N)c(N)n1
+,,,,,,,,,0.0,,0.0,,,,,,CID899413,CCC(=O)Nc1ccccc1C(=O)N1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID716976,COCc1c(Br)c(C)[nH]c(=O)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID16191119,CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2ccn[nH]2)CC1
+,0.0,,,,,,,,,,,,,,,,CID3242027,CCCNC(=O)c1c(C)cc(=O)oc1C
+,,,,,,,,,,,,,,0.0,,,CID15945384,Cc1ccc(NC(=O)COc2cccnc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID5307918,CCCc1cc(C(=O)Nc2ccccc2SC)no1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID2086329,Cc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1C
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID785308,Nc1ncnc2nc(SCCc3ccccc3)[nH]c12
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID666556,COc1cccc(C2C(C#N)=C(N)Oc3c2oc(CO)cc3=O)c1OC
+,0.0,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID661321,Cn1c(CNc2ccccn2)c(C#N)c2ccccc21
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,,CID859708,COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3117745,CC(C)(C)NC(=O)C(=O)NCc1ccncc1
+,,,,0.0,,,,,,,,,,,,,CID3244158,O=S(=O)(NCc1cn2ccsc2n1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID4888956,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2539687,COc1ccc(CC(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID737152,COc1ccc(-c2cn[nH]c2N)cc1OC
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID667156,CCCCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21
+0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,CID2792080,Cc1nnc(SCc2cccc(Oc3ccccc3)c2)n1N
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID690514,COc1ccc(CNC(=O)c2cccc(N(C)C)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID692001,COc1ccc(CSc2nnnn2C)cc1[N+](=O)[O-]
+,,,,,,,,0.0,,,,,,,,0.0,CID1248802,O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)Nc1ccc(Br)cc1
+,,,,,,,0.0,,,,,,,,,,CID257057,CCOC(=O)NCC(C)(C)CNC(=O)OCC
+,,,,,,0.0,0.0,,,,,,0.0,,,0.0,CID6398899,Cc1ccc2[nH]c3nc(SCCN4CCOCC4)nnc3c2c1
+,,,0.0,,,,,,,,,,,,,,CID3401387,CCCC(=O)N1CC(=O)Nc2ccc(F)cc2C1c1ccccc1
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,,CID1265007,CCn1[nH]c(=O)/c(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1-c1ccc(Cl)cc1
+,,,,,,,0.0,,,,,,,,,,CID5310648,CC(/C=C/c1ccccc1)NC(N)=O
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID1247675,CCOC(=O)Cc1csc(NC(=O)c2ccoc2C)n1
+,,,,,0.0,,,,,0.0,,,,,,,CID3218481,Cc1cccc(C(=O)NC2CCN(C(=O)N3CCOCC3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID6522724,CCN1C(=O)/C(=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21
+0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,,CID2947286,CCOCc1cc(C2NC(=O)NC(C)=C2C(=O)OCC)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID624046,Cc1ccc([N+](=O)[O-])cc1-c1ccc2cccc(C)c2n1
+,,,,,,,,,,,0.0,,,,,,CID2307963,Cc1cccc(/N=C2\N=C(N)c3ccccc32)c1
+,,,,,,,,,,,,,0.0,,,,CID1441125,Cc1cccc(Nc2ncccc2C(=O)NCc2cccs2)c1C
+,,,0.0,0.0,,,,,0.0,,,,0.0,,0.0,,CID667137,Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21
+,,,,,,,,0.0,,,0.0,,,,,,CID1108212,Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O
+,,,,0.0,,,,0.0,,0.0,,,,,0.0,,CID2967810,COCc1cc(C2SCC(=O)Nc3c2c(=O)[nH]n3C(C)C)ccc1OC
+,,0.0,,,,,,,,,,,0.0,,,,CID2946887,CN(C)S(=O)(=O)CC12CCC(CC1=O)C2(C)C
+,,,0.0,,,,,,,,,,,,,0.0,CID2557756,CCN(CC)S(=O)(=O)c1ccc(C(=O)OCn2nnc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID882428,O=C(CSCc1ccccc1Br)NC1CC1
+,0.0,,,,,,,,,,,,,,,,CID3245252,CC(NC(=O)c1ccc(Cl)cc1)C(=O)NC1=NCCS1
+,0.0,,,,,,,,,,,,,,,,CID6398930,COc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1
+,,,,,,,0.0,,,,,,,,,,CID2765904,O=C(O)c1cnn(-c2ccccc2)c1-n1cccc1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID3235723,CCOc1cccc2cc(C(=O)Nc3nccs3)c(=O)oc12
+,,0.0,0.0,,,,,,,,,,0.0,0.0,,,CID4669169,CSCCC(NC(C)=O)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3
+,,,,0.0,,,,,,,,,,,,0.0,CID2206450,CCN1CCN(C(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,0.0,,,0.0,,,0.0,,,0.0,,,CID1535153,CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccccc4)ccc1c23
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID1017705,COc1cc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc(OC)c1
+,,,,,,0.0,,,,,,,0.0,0.0,,,CID5587117,COc1ccccc1N/C(N)=N/c1nc(=O)cc(CSc2ccc(C)cc2)[nH]1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3242342,CCC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)Nc3nc(C)cs3)ccc21
+0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,0.0,CID892265,CN(CC(=O)NC1CCCCCC1)S(=O)(=O)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID977017,NC(=O)c1nc(N2CCOCC2)nc(N2CCOCC2)n1
+,,,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,CID3144503,CCOC(=O)C(C(=O)Nc1cccc(C)n1)C1CCCCC1
+,,,,,0.0,,,,0.0,,,,,,,,CID958663,O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1Cl
+,,,,,,,,,,,,,,0.0,,,CID934909,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN(C)CC1OCCO1)CC3
+,,,,,0.0,,,,,,,,,,,,CID4653008,O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID711559,CCOc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID9549609,N/C(=N\OC(=O)Cc1ccccc1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID3222605,Cc1ccc(NC(=O)C2CCN(c3cnccn3)CC2)cc1
+0.0,,,0.0,,,,,0.0,0.0,,,,,,,0.0,CID645751,CCc1ccc(CCC(=O)Nc2nc(CC(C)=O)ns2)o1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID1306441,Cn1cnc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21
+0.0,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,CID649940,COc1ccc(CCNC(=O)CSc2nnc(CNc3ccc(Cl)cc3)o2)cc1OC
+,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,,,CID2998783,O=C(COC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1)NC1CCCc2ccccc21
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3240770,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2F)CC1)Oc1ccccc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID655656,O=C(CN1CCN(C(=O)c2ccco2)CC1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID2743471,CSc1cc(-c2ccc(Cl)cc2)[nH]c(=O)c1C#N
+,0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,CID2034782,C=CCOc1ccc(C2N3CC4(C)CN2CC(CCC)(C3)C4=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID11958385,O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Br)cc1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID663970,CCCCCc1c(C)[nH]c(Nc2nc(C)c3cc(OC)ccc3n2)nc1=O
+,,0.0,,,,,,,,,,,,,,,CID4621937,O=c1cc(N2CCOCC2)[nH]c(=O)n1Cc1ccc(F)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID653916,O=C(CN1CCCCC1)Nc1cccc(-n2cnnn2)c1
+,,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,CID2497379,Cc1oc(-c2ccccc2)nc1C(=O)Nc1nccs1
+,,,,,,,,,,,,,,0.0,,,CID2935776,O=C(c1cc([N+](=O)[O-])ccc1N1CCCC1)N1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID3229040,CCOC(=O)CN(C(=O)CN1CCC(n2nnc3cc(C)ccc32)CC1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2836475,Cc1c(C#N)c(/N=C/N(C)C)c(C(=O)c2ccc(Br)cc2)n1-c1ccccc1
+,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,,,,CID622720,CCc1c(C)nc2[nH]nc(-c3ccccc3C)n2c1=O
+,0.0,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,CID822001,CNC(=O)c1cc(C)c(-c2ccccc2)s1
+,,,,,,,,,,,,0.0,0.0,,0.0,0.0,CID885226,CCN(C(=O)c1cc(Cl)ccc1OC)C1CCCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID831809,Cc1nn(C)cc1CNC(=O)Nc1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2338059,COc1cccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID3146025,CCOc1nc(NCCO)nc(NCCC2=CCCCC2)n1
+,,,,,,,,,0.0,,,,,,,,CID5740386,CN1/C(=C/C2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)C(C)(C)c2ccccc21
+,0.0,,0.0,,,0.0,,0.0,,,,,,,,,CID660937,CC1(C)Cc2c(sc3ncn4nc(-c5ccco5)nc4c23)CO1
+,,,0.0,,,,,,,,0.0,,,,,,CID899019,CN(C)CCNC(=O)c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID3821970,CN(C)CCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID2571429,CCOC(=O)c1sc2nc(CSCC(=O)OCc3ccc(C(=O)OC)o3)[nH]c(=O)c2c1C
+,,0.0,,0.0,,0.0,,,,,0.0,,,,,,CID2836270,S=c1[nH]nc(C2COc3ccccc3O2)o1
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID2084419,COCCn1c(C)cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c1C
+,,,,,0.0,,,,,,,,,0.0,,,CID3152750,O=C(C1=C(O)C(=O)N(Cc2ccccc2)C1c1ccco1)c1ccco1
+0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,CID3241367,O=C(CC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1
+,0.0,,,,,0.0,,,,,,,,,,,CID2999138,O=S1(=O)N=C2CCCN2C(c2ccc(F)cc2)N1
+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID5307501,COc1ccc(-c2nc(CS(=O)CC(=O)NCCC3=CCCCC3)c(C)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID4123508,CSc1nncn1/N=C/c1ccccc1F
+,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,CID2010820,Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
+,,,,,,,0.0,,,,,,,,,,CID5308446,COc1ccc(N2C(=O)C3CCCN3C2c2cccc(OC)c2OC)cc1
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID713593,CC(=O)COc1cc(C)cc2oc(=O)c(C)c(C)c12
+,,0.0,,,,,,,0.0,,,,,,,,CID757913,CCc1c(C)[nH]c2ccc(C)cc2c1=O
+,,,,,,,,0.0,,,0.0,,,,,,CID647833,O=C(O)CCC(=O)Nc1ccc(Br)cn1
+,,,0.0,,,,,,,,,,,,,,CID1965859,CCN1C(=O)/C(=C2/C=CC=CN2C)OC1=S
+,,,,,,,,,,,,,,0.0,,,CID4451657,COc1cccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)c1
+0.0,,,,,0.0,,,,0.0,0.0,,,,,,,CID2161508,COc1ccccc1-n1cnnc1SCC(=O)c1cc(C)n(Cc2cccs2)c1C
+,,,,,0.0,,,,,,,,,,,,CID783691,COc1ccc(CN(C)C2CCCCC2)c(C)c1C
+,,,,0.0,,,0.0,,,0.0,0.0,,,,0.0,,CID3245090,CCOC(=O)C1CCCN(C(=O)CCn2nc(-c3ccccc3)ccc2=O)C1
+,,,,,,,,,0.0,,0.0,,,,,,CID2306921,Cc1ccc(NC(=O)N2CCOCC2)c(C)c1
+,,,,,,,,,0.0,,,,,,,,CID5197630,O=C(NCC1CCCO1)C1CCC(=O)N1Cc1ccc(F)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID803184,CC(C)(C)CC(=O)NCc1ccc(F)cc1
+,,,,,,,0.0,,,,,,,,,,CID2932758,COc1ccc(C)cc1NC(=O)C1CCCCC1C(=O)O
+0.0,,,,,,,,,,,,,,,,,CID3245000,COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)c3ccc(Br)cc3)c2cc1OC
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5307189,COc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID11957173,Cc1cc(C)cc(NC(=O)CCc2nc3ccccc3[nH]2)c1
+,,,,,,,,,,,,,0.0,,,,CID836298,COCC(=O)Nc1cc(Cl)c(OC)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2622723,CSc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID656341,COc1cccc(CN(CC(=O)NCC2CCCO2)C(=O)CCC(=O)Nc2cc(C)on2)c1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID1643368,COCC(=O)/C=C1\Sc2ccccc2N1C
+,,,,,,,,,,,,,,0.0,,,CID2791622,O=S(=O)(c1ccc2ccccc2c1)N1CCCCCC1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID746914,O=C(CN1CCCC1=O)N1CCOCC1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID3239845,CC(C)CCn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,,,,,,,,,,,,,,CID5389246,COc1ccc(OC)c(C2/C(=C(/O)c3ccc(C)cc3)C(=O)C(=O)N2Cc2ccco2)c1
+,,,,,,,,,,,0.0,,,,,,CID2289088,CCOc1cccc(OCCCOc2ccccc2)c1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID667243,Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2
+0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,CID972653,COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1Br
+,,,,,,,,,,,,0.0,,,,,CID2999254,CC(C)CN(C(=O)COC(=O)C12CC3CC(CC(O)(C3)C1)C2)C1CCS(=O)(=O)C1
+,,,,,0.0,,,,,,,,,,,,CID691035,CCc1ccc(NC(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2552230,NC(=O)Nc1ccc(C(=O)OCC(=O)NC2CCCCC2)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID873518,Cc1ccc(-n2c(C)cc(/C=N/NC(=O)c3ccncc3)c2C)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2947713,C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)NCc3ccccc3)cc2)C1
+,,,,,0.0,,,,,,,,,,,,CID1481302,CCn1c(SCc2ccc(F)cc2)nnc1-c1nn(-c2ccccc2)ccc1=O
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID663888,N#Cc1nc(COc2ccc(Cl)cc2Cl)oc1N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID1229154,Cc1nc2ccccc2cc1C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID2457625,CN(CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)c1ccccc1
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID3236330,CC1(C)OC(=O)C(=CNc2cccc(C(=O)O)c2)C(=O)O1
+,0.0,,,,,,,,0.0,,,0.0,,0.0,,,CID5389507,CC/C(NCCO)=C1/C(=O)NC(=O)N(c2ccccc2)C1=O
+0.0,,,,,,,0.0,0.0,,,,,0.0,,,0.0,CID649710,CC1(c2ccc3noc(-c4ccccc4)c3c2)OCCO1
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID686340,Cc1ccc(Cc2cnc(N)s2)o1
+,,,,,,,,,,,0.0,,,0.0,,,CID1471761,O=S(=O)(Cc1cc(Cl)nc(-c2ccccc2)n1)c1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,,CID5309281,CC(C)CN(CC(C)C)c1nnc(N)s1
+,,,,,,,,0.0,,,,,,,,,CID736467,[O-][n+]1onc2c3c4c(n(O)c3ccc21)CCCC4
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID658169,CCc1c(C)[nH]c(=S)c(C#N)c1C
+0.0,,,,,,,,,0.0,0.0,,,,0.0,,0.0,CID662606,O=C(COc1ccccc1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID3740458,COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1
+,0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,CID1007761,O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)NC1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID2999213,COC(=O)C(O)(c1ccc2c(c1)CCCN2)C(F)(F)F
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID655135,CCC(c1nnnn1CCC(C)C)N1CCC(C(N)=O)CC1
+,0.0,,,,,,,,,0.0,,,,,,,CID303580,O=C(O)CCCCCN1C(=O)CCC1=O
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID802814,COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)OCCO2
+,,0.0,,,,0.0,,0.0,,0.0,,0.0,0.0,,,,CID889672,CC(=O)Oc1ccc(Oc2ccc(-c3noc(C)n3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1973636,Cc1cc(=O)oc2cc(OCCSc3nnc(-c4ccccc4)o3)ccc12
+,,,,,,,,,,,0.0,,,,,,CID2842739,OC(COc1ccccc1)CSc1ncn[nH]1
+,,,,,,,,,,,0.0,,,,,,CID725705,Cc1ccc(OCC(=O)NNC(=O)c2cc3ccccc3o2)cc1C
+,,,,,,,0.0,0.0,0.0,,,,,,0.0,,CID1084699,CCOC(=O)C1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2208666,CCOc1cccc(NC(=O)/C(C#N)=C\c2cccnc2)c1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,,CID2977485,O=C(CN1CCOCC1)NC1CC2CCC1C2
+,,,,,0.0,,,,,,,,,,,,CID2669474,COc1ccc(C(=O)NC(C)(C)C)cc1S(=O)(=O)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID4661529,COc1ccc(NC(=O)C(c2ccc(C)cc2)N(C)C(=O)Cc2cccs2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2554414,COc1ccc(NC(=O)COC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1
+,,,0.0,,,,,,,,,,,,,,CID5770136,CC(SC1=NNC(=C2C=CC(=O)C=C2)O1)C(=O)Nc1cccc2ccccc12
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+,0.0,,0.0,,,,,,,,,,,,,0.0,CID661141,Cn1nnnc1SCC(=O)NCc1cccc(C(=O)O)c1
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+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID656170,CCCn1nnnc1SCC(=O)N1CCOCC1
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+,,,,0.0,,,,0.0,,,0.0,0.0,,,,,CID2906356,CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID804124,O=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID1863091,COc1ccccc1C(=O)Nc1ccc(OCc2nnc3c4ccccc4c(C)nn23)cc1
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+,,,,,,,,,,,0.0,,,0.0,,,CID2792512,COc1ccccc1Nc1nc(=O)[nH]nc1C
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID3239571,O=C(Nc1cccc(F)c1)N1CC=C(n2c(=O)[nH]c3ccccc32)CC1
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+,0.0,,0.0,,,,,,,,,,0.0,,,0.0,CID894244,Clc1ccccc1CSc1ncccn1
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+,,0.0,,,,0.0,,,,,,0.0,,,,,CID665092,CCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O
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+,,0.0,,,,,,,,,,,,,,,CID2999968,C=C1C(C(=O)N2CCOCC2)C1C(=O)N1CCOCC1
+0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID666903,O=C(CC1SCCNC1=O)Nc1cccc(C(F)(F)F)c1
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+,,,,0.0,,0.0,,0.0,,,,,,,,,CID974496,Cc1csc(NC(=O)CSc2nnc(C)s2)n1
+,,,,,,,,,,,,,,0.0,,,CID753352,CCOC(=O)Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21
+0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,CID838737,O=C(Cc1ccccc1)Nc1nnc(-c2cccs2)s1
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID1076035,COc1ccc(CCn2c(-c3ccco3)nc3ccccc3c2=O)cc1OC
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID796412,O=C(O)c1cc(S(=O)(=O)N2CCCC2)ccc1Br
+,,,,,,,,,0.0,,,,,,,,CID1409855,O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)n1nnc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID866376,COc1cc2[nH]c(=S)n(Cc3ccccc3)c(=O)c2cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2532363,O=C(CSc1nncs1)Nc1ccc2c(c1)OCO2
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID1255139,CCOC(=O)c1cc2nc(Nc3ccc(OC)cc3)sc2s1
+,,,,,0.0,,,,,,,,0.0,,,,CID1153237,Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1
+,,,,,0.0,,,,,,,,,,,,CID3806266,CCCCSC1(SCCCC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N
+0.0,,,,,,,,,,,,,,,,,CID652076,CN(C)c1nc(SCCOC(=O)COc2ccc(Cl)cc2Cl)nc(N(C)C)n1
+,,,,,,,,,0.0,,,,,,,,CID975564,CCOc1ccc(S(=O)(=O)NCc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2191385,CN1CCN(C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1
+,,,,,,,,,,,,,,0.0,,,CID5735320,CC1=CC(c2ccc(Cl)cc2)N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1
+,,,,,,,,,,,,,0.0,0.0,,,CID7199935,CSc1ncnc2c1cnn2-c1ccc(C)cc1C
+,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,,,,,CID656009,CCCC(=O)N(CCc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,0.0,,,,,,,,,CID2204080,Cc1cc(Cl)c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cc1OCC(=O)NC1CCCCC1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID3145105,C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID3328365,Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1-c1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID882703,Cc1nc2ccccc2c(=O)n1/N=C/c1cccnc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1288686,COc1ccc(NC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)cc1
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+,,,,,,0.0,,,,0.0,0.0,0.0,,,,,CID611070,Nc1ccc2oc(-c3ccccn3)nc2c1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID665690,Cc1cc(C)n(-c2nc(NCc3cccnc3)c3c4c(sc3n2)COC(C)(C)C4)n1
+,,,,,,,,,,,,,,0.0,,,CID2087772,CCN(CC(=O)NC(=O)NCc1ccccc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,0.0,,,,0.0,,,,0.0,0.0,,,,0.0,CID660147,N#Cc1cnn(Cc2ccccc2)c1N
+,,,,,0.0,,,,,,,,,0.0,,,CID824587,Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)NC1CCCCC1
+,,,0.0,,,,,,,,,,,,,,CID2838111,CCN(CC)C(=O)C1CCCN(Cc2ccccc2C(F)(F)F)C1
+,,,,0.0,,,,,,,,,,,,,CID645023,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)c3ccc(OC)cc3)o2)cc1
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+,,,,,,,,,,0.0,0.0,,,,,,CID1620764,N#CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2
+,0.0,,,,0.0,,0.0,,,,0.0,,,,,,CID647754,Cc1cc(C)nc(N2CCCC(C(=O)NCCc3ccc(F)cc3)C2)n1
+,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID845559,Clc1ccccc1OCCn1cnc2ccccc21
+,0.0,,,,,,,,,,,,,,,0.0,CID665812,Cc1cc(NCCCN2CCOCC2)n2ncc(-c3ccccc3)c2n1
+,,,,,0.0,,,,,,,,,,,,CID759457,COc1cc2c(cc1C)/C(=N/NC(=O)c1cccc(F)c1)CCC2
+,,,,,,,,,,,,,0.0,,,,CID4152519,Cc1ccccc1NC(=S)N(CCCN1CCCCC1)Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1457777,O=C(Nn1c(C2CCC2)nc2ccccc2c1=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID669897,C=CCN(CC=C)C(=O)COc1ccccc1
+,,,,,,,,,,,0.0,0.0,,,,,CID2418824,O=C(CSc1ncn[nH]1)c1ccco1
+,0.0,,,0.0,,,,,,,,,,,,,CID709746,N#Cc1cc2sc3nnc(-c4ccncc4)n3c2cc1C#N
+,,,,,,,,,0.0,,0.0,,,,,,CID788824,CC(=O)c1c(C)n(C(C)C)c2ccc(O)cc12
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID664736,Cn1c(=O)c2c(-c3ccccc3)n(CCCN3CCOCC3)cc2n(C)c1=O
+,,,,,,,,0.0,0.0,,,,,0.0,0.0,,CID647869,COc1ccc(C)cc1NC(=O)c1ccc2c(c1)OCO2
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID848750,c1ccc(Cc2nn3c(Cn4cnc5ccccc54)nnc3s2)cc1
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+0.0,0.0,,,,,,,0.0,,,,,,,0.0,,CID646583,Cc1cccc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)n1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,,0.0,CID3239396,CN(C)C(=O)N1CCC(C(=O)NCc2cccs2)CC1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID937025,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cccc(C(=O)O)c1
+,,,,,0.0,,,,,,,,,,,,CID796732,Cc1ccc(NC(=S)NC2CCCCC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5308354,Cc1cc(C)cc(N(CC(=O)NC2CCC(C)CC2)S(=O)(=O)c2c(C)noc2C)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1108315,COc1cccc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1
+,,,,,,,,,,,,,,0.0,,,CID1584574,O=C(CCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1898490,O=C(Nc1ccccc1)/C(=C/c1ccccc1)NC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1474631,CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(OC)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2036384,CCc1ccc2nc(NC3=NCN(CCOC)CN3)nc(C)c2c1
+,,,,,,,,,,,,,,,,0.0,CID2946497,CC1(C)C(=O)OC(c2c(F)c(F)c(F)c(F)c2F)C2(CCCCC2)C1=O
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID3242615,O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID1409763,C/C(=N\Oc1nc(C)cc(C)n1)c1ccccc1
+,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0,,CID2952929,CCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID6411264,O=C(NCc1ccccn1)/C(=N\O)c1ccccc1
+,,,,,0.0,,,,0.0,,,,,,,,CID3129813,Cc1ccc(C(CC(=O)O)C2CCOC(C)(C)C2)cc1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID2306217,O=c1[nH]c2c(c3c1CCCC3)CCCC2
+0.0,,,,,,,,,,,,0.0,,,,,CID4983647,COc1ccc2cc(CCNC(=O)C(C)C)c(=O)[nH]c2c1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID3243156,O=C(Nc1cccc(O)c1)C1CCCN1C(=O)OCc1ccccc1
+,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,CID895881,O=C(OCN1C(=O)c2ccccc2C1=O)C1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID9550778,CCOc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1
+0.0,,,,,,,,,,,0.0,,,,,,CID5243160,CCC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1
+,,,,,0.0,,,0.0,,,,,,,,,CID6619538,CCCCN(CC)C(=O)c1cc2cc3ccc(OC)cc3nc2o1
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+,0.0,,,,,,,,,,,,,,,,CID3244702,CCCCNC(=O)C1C2C=CC3(CN(Cc4ccccc4Cl)C(=O)C13)O2
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+,0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0,CID850450,Cc1nnc2sc(-c3ccco3)nn12
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+0.0,,,,,,,,,,,,,,,,,CID3988234,CC1=CCC2C(=O)N(c3ccc(C)c(Br)c3)C(=O)C2C1
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+,0.0,,0.0,,,,,,,,,,,,,,CID654785,C1CCC(n2nnnc2CN2CCN(C3CCCC3)CC2)CC1
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+,,,0.0,,,,,,,,,0.0,,,,0.0,CID3385813,O=C(O)CCn1c(=O)[nH]c2ccccc2c1=O
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+,,,,,,,,0.0,,0.0,,,0.0,0.0,,,CID2675177,CN(C)S(=O)(=O)c1cccc(C(=O)NCc2cccs2)c1
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+,,0.0,,,,,,,,,,,,,,,CID259755,Clc1cccc(-c2nnc(-c3ccccc3)o2)c1
+,,,,,0.0,,,,,,,,,,,,CID1103365,O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2929553,Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC2CCCCC2)c2ccccc2F)cc1
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+,,,,0.0,,,0.0,,,0.0,,,,,,0.0,CID665064,CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID3778134,CCCCN(c1ccccc1)S(=O)(=O)N(C)C
+,,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID2971209,CC1Cc2ccccc2N1C(=O)Cc1cccs1
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+,,,,,,,,,,,,,0.0,,,,CID16193602,CCc1cccc(CC)c1NC(=S)NCC(c1cccnc1)N(C)C
+,,,,,0.0,,,,,,,,,,,,CID1043673,COCc1cc(C)nc2sc3c(=O)n(-c4cccc5ccccc45)nnc3c12
+,,,,,,,,,,,,,0.0,,,,CID724924,CCc1ccc(-c2csc3ncn(CC)c(=O)c23)cc1
+,,,,,,,,,,,0.0,,,,,,CID1323161,Cc1ccc(NC(=S)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID1246890,O=C(Nc1cccnc1)c1cc2cc(Br)ccc2oc1=O
+,,,,,,,,,,,,,,0.0,,,CID837855,O=C(NC(=S)Nc1ccccn1)c1ccc([N+](=O)[O-])cc1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID657611,N#CC(C#N)=c1ccc2c(c1)NC1(CCCCC1)N=2
+,,,,,,,,,,,,,0.0,,,,CID1149716,COC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2ccc(C)cc2)cc1
+,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,0.0,0.0,,,CID2327953,Cc1ccc(-n2sc3ccccc3c2=O)cc1S(=O)(=O)N1CCCCC1
+0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,CID3242128,CCc1cccc(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,CID870040,CCOc1ccc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2c1
+,,,,,,,,,0.0,,,,,,,,CID5068175,CCOC(=O)c1nnn(CC(=O)N2N=C(c3ccccc3)CC2c2ccccc2)c1C(=O)OCC
+,,,,,,,,,,,,0.0,,,,0.0,CID2998872,O=C(c1ccco1)N1CCN(CC(=O)N(C2CCCCC2)C2CCS(=O)(=O)C2)CC1
+,,,,,,,,,,,,0.0,,0.0,,,CID2591568,NC(=O)c1ccsc1NC(=O)CSc1ccccc1F
+,,,,,,,,,,,,,,0.0,,,CID834066,Cc1ccc(CNC(C)(C)CO)cc1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,CID645445,Cc1nc2ccccc2n1S(=O)(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16194079,CCCCN(CCCNC(=O)Cn1ncc2ccsc2c1=O)Cc1ccccc1
+,,,,,0.0,,,,,0.0,,,,,,,CID9551690,CCC(C)C(C(=O)NCC1CCC(C(=O)O)CC1)n1nnc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID2932464,CCCCC(CC)CNC(=O)C1C2C=CC(C2)C1C(=O)O
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID4321220,Cc1cc(NC(=O)CSc2nc3c(c(=O)n2Cc2ccccc2)SC(C)C3)no1
+,,,,,,,,,,,,,,,0.0,,CID5308541,CCN1CCCC1CNC(=O)CS(=O)(=O)Cc1nc(-c2ccccc2C)oc1C
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID3239565,COc1ccc(-c2cc(C(=O)NCc3cccnc3)no2)cc1OC
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID654961,O=C(OC1CSc2nc3ccccc3n2C1)c1ccco1
+0.0,,,,,,,,,,,,,,,0.0,,CID2864859,COC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2
+,,,,,,,,,,,,,,0.0,,,CID4231007,O=C(Nc1cnccn1)Nc1ccc(Cl)cc1Cl
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID3669496,CCCn1c(CN2CCN(C(=O)c3ccco3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID703074,c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
+0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID2998406,O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID716982,O=[N+]([O-])c1ccc(Sc2n[nH]c(-c3ccccc3)n2)nc1
+,,,,,0.0,,,,0.0,,,,,,,,CID3540828,COc1ccc(CNC(=O)c2c(-c3cc(Cl)c(OC)c(Cl)c3)noc2C)cc1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID1147586,O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccnc1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,0.0,,CID726947,CC(=O)c1c(C)nc(C)nc1NC(=O)C(C)C
+,,1.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID2952899,COc1ccc(C(=O)Nn2c(SCC(=O)NCC3CCCO3)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID4877254,O=C(CC12CC3CC(CC(C3)C1)C2)NCC(=O)N1CCc2ccccc2C1
+0.0,,,0.0,,,,,,,,,,,,,,CID3236855,O=S(=O)(c1cccc2nsnc12)N1CCc2ccccc2C1
+0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2218985,C(=C/c1ccccc1)\CSc1nnc(-c2ccncc2)n1Cc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID2209252,COCC(=O)n1nc(-c2ccccc2)nc1NCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID7150700,Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID852309,CCSc1cc(N2CCCC2)nc(-c2ccc(F)cc2)n1
+,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,CID587741,Cc1ccoc1C(=O)NCc1occc1C(=O)O
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,,CID3238419,CCOC(=O)c1ccccc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2094370,Cc1cc(C)n2nc(SCC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)nc2n1
+,,,,,,,,,,,,,0.0,,,,CID757561,Cc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID827782,N#Cc1ccc(-c2csc(NNC(=O)c3ccccc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1748955,CCCCc1ccc(/C=C2\C(=O)ON=C2c2ccccc2)s1
+,,,,,,,,,0.0,,,,,,,,CID28983,CCOC(=O)c1c(C)n(C)c2ccc(OCCN(C)C)cc12
+,,,,,,,,,,0.0,,,,,,,CID2114304,COc1cc2[nH]c(CN(C)CC(=O)Nc3ccc(N4CCOCC4)cc3)nc(=O)c2cc1OC
+,,,,,,,,,,0.0,,,,,,,CID2964241,O=C(Nc1ccccc1)c1cccnc1N1CCCC1
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,CID2517422,CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C)on1
+,,,,,,,,,,,,,,0.0,,,CID2909519,O=C(C1CCCO1)N1CCN(C(=S)Nc2ccc(Cl)cc2)CC1
+,,,,0.0,,,,,,,,0.0,,0.0,,,CID566392,c1csc(CN2CCN(Cc3cccs3)C2c2cccs2)c1
+,,,,,,0.0,,,,,,,,,,,CID661815,CC(C)CNC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
+,,,,,,0.0,,,0.0,,,,,,,,CID3239490,COc1ccc(-c2nc(N3CCOCC3)nc3nn4c(C)c(CCC(=O)O)c(C)nc4c23)cc1
+,,,,,,,,,,,,,0.0,,,,CID2326654,C=CCNC(=S)Nc1ccc(Br)cc1F
+,,,,,,,,,,,,,0.0,,,,CID944801,COc1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1
+,,,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,CID1458426,CCCC(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1
+,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID651858,CCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
+,,,,,,,,,,,,,,0.0,,,CID2138172,C=CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)nc1C
+,,,,,0.0,,,,0.0,,,,,,,,CID763664,CCOc1ccc(CN2CCCN(C)CC2)cc1
+,,,,,0.0,,,,0.0,,,,,,0.0,,CID3243589,CC(NC(=O)c1cc2ccccc2o1)C(=O)O
+,,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID3238410,COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCCOC(C)C)c(=O)c3c2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2352477,COc1ccc(C(=O)COC(=O)CCC(=O)c2cccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3427389,Cc1ccc(Cl)cc1NC(=S)N(CCN(C)C)C(C)c1ccccn1
+0.0,,,,,,,0.0,,0.0,,,,,,,,CID3240978,COc1cccc(C2=NOC(C(=O)Nc3ccc(C(C)=O)cc3)C2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID7205904,O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccccc1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,CID657801,CCCCOC(=O)n1c(=O)oc2ccccc21
+,,,,,,,,,0.0,,,,,0.0,,,CID781824,CCOC(=O)c1ccc(N/C=C2\CCCCC2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5349403,CCOC(=O)c1ccc(-n2c(C)cc(/C=N/n3cnnc3)c2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID900826,COc1ccc(C)cc1S(=O)(=O)Nc1cccc(Cl)c1Cl
+,,,,,,,0.0,,,,,,0.0,,0.0,0.0,CID647849,CC(C)CC(OC(=O)c1ccco1)C(=O)NC1CCCCC1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID657892,Cc1nc2oc(C(=O)c3ccc(Br)cc3)c(N)c2c2c1COC(C)(C)C2
+,,,,,,,,,,,,0.0,,,,0.0,CID3240908,CC(C(=O)Nc1cccnc1)N1C(=O)C2C3C=CC(C3)C2C1=O
+,,,,,,0.0,,,,,,,,0.0,,,CID891137,O=C(COC(=O)CCc1c[nH]c(=O)[nH]1)Nc1cccc(Cl)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID282654,O=C(O)c1ccccc1C(=O)c1cccs1
+,0.0,,,,,,,,,0.0,,,,,,,CID2952676,Cc1ccc(SCC(=O)N2CC(C)OC(C)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1371527,O=C(CN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1
+0.0,0.0,,,0.0,,,,0.0,,,,,,,,,CID3242699,O=C(NCc1cccs1)C1CCN(S(=O)(=O)N2CCCC2)CC1
+,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,CID3240002,Cc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccs3)C2)cc1
+,,,0.0,1.0,,0.0,,,,0.0,,,,,,,CID2997805,CC(C)CN(C(=O)COC(=O)c1ccc2c(c1)NC(=O)CS2)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID16191574,Cc1nc(CCNC(=O)CC2C(=O)NCCN2Cc2ccoc2)nc2c1CCCC2
+0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3240589,COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3nc4ccccc4n32)c1
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID652026,N#CC1=C(N)C(C#N)(C#N)C(c2ccc[nH]2)C2CCCC=C12
+,,,,0.0,,,,,0.0,,,,,,,,CID3331,NC(=O)OCC(COC(N)=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID738575,c1cc2c(cc1CCNC1C3CC4CC(C3)CC1C4)OCO2
+,,,,,,,,,,,0.0,,,,,,CID2453274,CC(C)CNC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
+,,,,,,,,,,,,0.0,,,,0.0,CID647544,CCOC(=O)CC12CN3CN(C1)CC(CC(=O)OCC)(C3)C2=O
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID340715,CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C
+,,,,,,,,,,,,,0.0,,,,CID1877189,Cc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,,CID3242144,O=c1[nH]c2ccc(Cl)cc2c(=O)n1Cc1ccco1
+,,,,,,,0.0,,,,,0.0,,,,,CID2215037,COCCNC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,,0.0,CID3244482,CCOc1ncccc1C(=O)Nc1ccc(Cl)cc1
+,,0.0,,,,,,,,,0.0,,,,0.0,,CID2430772,CC(C)NC(=O)CN(C)S(=O)(=O)c1ccc(F)cc1
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID2998184,Cc1cc(C)c(NC(=O)C2CSCCS2)c(C)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID2882414,CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)C(=O)C1
+,,,,,,,,,,0.0,,,,,,,CID664292,CCN1c2ccccc2-c2nc3ccccc3n2C1c1ccncc1
+,,,,,,,0.0,0.0,,0.0,,0.0,,,,0.0,CID650973,CC(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+,,,,0.0,,,,,,,,,,,0.0,,CID4124189,CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID849739,CCOC(=O)c1cn(Cc2c(C)c(C)c(C)c(C)c2C)nn1
+,,,,,,,,,,,0.0,,,,,,CID2932350,N/C(=N\C(=O)c1ccccc1)N1CCOCC1
+,,,,0.0,,,0.0,,,,0.0,,,,,,CID3242668,CN1C(=O)c2ccccc2Sc2ccc(NC(=O)NC3CC3)cc21
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID654754,O=C(c1ccc2c3c(cccc13)CC2)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID3244416,CC(C)C1N=C2c3ccccc3N=C(SCC#N)N2C1=O
+,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,0.0,,CID2432389,COc1ccc(C(C)=O)cc1COC(=O)c1cccc(N(C)C)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID5308507,COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(Cl)cc3)c(C)o2)c1
+,,0.0,,,,,0.0,0.0,,,,0.0,,,0.0,,CID670633,CCOc1ccc(N2C(=O)CCC2=O)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID3235992,CCC(C)C(NCc1cccc(C)c1)C(=O)O
+,0.0,,,,,,,,,,,,,,,0.0,CID3105903,COC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccn1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID654312,CC(c1ccccc1)n1cc(C(=O)NCC2CCCO2)nn1
+,,,,,,,0.0,,,,,,,,,,CID5309547,C=CCn1cc(C(=O)NCCCOC)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID5092,COc1ccc(C2CNC(=O)C2)cc1OC1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID806942,O=C(NC(=S)Nc1ccccn1)c1cncc(Br)c1
+,,,,,,,0.0,,,,,,,0.0,,0.0,CID5309015,CCc1ccc(Cn2nnc(C(=O)NCc3ccccc3OC)c2N)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID667187,COCc1nc2ccccc2n1Cc1ccccc1Br
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID1507282,CCOC(=O)N1CCN(C(=O)c2cc(-n3cnnc3)ccc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID1299857,Cc1cccc(NC(=O)c2cc(NC(=O)c3ccccc3)ccc2N2CCCCC2)c1
+,,,,,,,,,,,,,,1.0,,,CID1312679,COc1cc2nc(COc3ccccc3[N+](=O)[O-])oc(=O)c2cc1OC
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID68230,CC1(C)C=Cc2c(c3ccccc3[nH]c2=O)O1
+,,0.0,,,,0.0,,,,,0.0,0.0,,,,,CID660845,Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1
+0.0,0.0,,0.0,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,CID665132,COc1ccccc1-c1nnc(NC(=O)C(C)C)s1
+,,,,,,,,,,,,,,0.0,,,CID2939509,CC1(C)CC(C(CC(=O)Nc2nccs2)c2ccccc2)CCO1
+,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,CID3241781,CCOC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID2768890,Cn1c(Cc2c[nH]c3ccccc23)n[nH]c1=S
+,,,,,,,,,,,,,,,0.0,,CID3236723,O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
+,,,,,,,,,,0.0,,,,,,,CID1099239,CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2101602,CC(=O)c1ccc(OCC(=O)Nc2ccc3nc(C)sc3c2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1214016,CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID646538,O=C(CN1CCOCC1)Nc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1
+,0.0,,,,,,,,,,,,0.0,,,,CID3243909,COc1ccccc1N1CCN(CCCNC(=O)Nc2ccccc2C)CC1
+,,0.0,0.0,,,0.0,,,0.0,0.0,0.0,,,,,0.0,CID645144,CCOc1ccc(C(=O)Nc2nncs2)cc1OCC
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID3236833,CCOCCCNC(=O)C1CC(=O)N(C2CCCC2)C1
+,,,,,0.0,,,,,,,,0.0,,,,CID2768956,CSc1nc(C)cc(C)c1S(=O)(=O)c1ccccc1C
+,,,,,0.0,,,0.0,,,,,,,,,CID2842152,COc1ccccc1/C=N/Nc1nccnc1Cl
+,,,,,,,,,,,,,0.0,,,,CID354609,Cc1cc(=O)oc2c1c(C)nn2-c1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2289888,COC(=O)c1cc(C(C)=O)c(C)[nH]c1=O
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1305753,COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1Br
+,,,,,,,0.0,,,,,0.0,,,,,CID2998635,Cc1oc2cc(OC(C)C(=O)O)ccc2c(=O)c1Oc1ccccc1
+,,,,,,,,,,,0.0,,,,,0.0,CID3236405,COC(=O)c1c(C(C)=O)cnc2ccc(Br)cc12
+,,,,,,,,,,,0.0,,,,,,CID3198855,CCc1ccc(C(C(=O)NC(C)(C)CC)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)cc1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID3240734,CCCC(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
+,,,,,,,,,,,,,0.0,,,,CID805424,COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCCCC1
+,,,,0.0,,,,,,,,,,,0.0,,CID3245576,CC1CN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)CC(C)O1
+0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID1248271,CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
+,0.0,,,,0.0,0.0,,,,,,,,,,0.0,CID664334,O=C1CC(c2ccc(F)cc2)Cc2nc(N3CCc4ccccc43)ncc21
+,,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID648779,CCOc1ccc2nc(NC(=O)CSc3nnnn3C3CCCCC3)sc2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1565220,COC(=O)c1cccc(NC(=O)CCCOc2cccc(C)c2)c1
+,,,,,,0.0,,,,,,,,,,,CID277786,O=C(O)CCC(=O)c1cccc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID5347924,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C\C(=O)c3cccs3)cc2)n1
+,,0.0,,,,,0.0,,,,,,,,,,CID5308917,Cc1ccc(Cn2c(=O)c3ccccc3n3c(CCC(=O)O)nnc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID4116026,CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCCN3CCCCC3C)c(=O)c2c1
+0.0,,,,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,CID2109478,Cc1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)no1
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID889692,C=CCc1cccc(CNc2nc3ccccc3n2CCC)c1O
+,,,,,,,,,,0.0,,,,,,,CID6022905,OCCCC1=NC2=NC(c3ccc(Br)cc3)=CC(c3cccs3)N2N1
+,,,,,,,,,,0.0,,,,,,,CID1325504,CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(COCC(=O)O)oc2cc1OC(=O)C(C)(C)C
+,,,,,,,,,,0.0,,,,,0.0,,CID5308030,NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccc(Cl)cc3)N2N1
+,,,,,,,,0.0,,,,,,,,,CID2978784,COc1ccc(C2=NOC(C(=O)NCc3ccco3)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID838438,Cc1ccc2nc(C)c(C(=O)N/N=C/c3ccccc3[N+](=O)[O-])cc2c1
+,,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID2916185,O=C(CC1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccco1
+,,,,,,,,0.0,,0.0,,,,,,,CID830989,COC(=O)c1cccc(-n2cnnn2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID852112,O=C(Cn1cnc2ccc(Cl)cc2c1=O)c1cccs1
+,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID5308459,CC1Cc2ccccc2N1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCC3)ccc21
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID645978,CCOc1ccc2nc(NC(=O)C3CCN(c4cnccn4)CC3)sc2c1
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID1235115,CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ncccc4C)ccc1c23
+,,,,,,,,,,,,,0.0,,,,CID1021117,Cc1ccccc1C(=O)Oc1ccc(Br)cc1C(=S)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID4621398,CC(C)CN(C(=O)COC(=O)c1ccccc1SCC(=O)NC1CCCCCC1)C1CCS(=O)(=O)C1
+,,0.0,,,,,,,,,,,,,,,CID654252,COc1ccccc1CN(Cc1ccco1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1
+,,0.0,,0.0,,,,0.0,,0.0,,,,,,,CID2557730,CCN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1
+,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID5307941,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NCC3CCCO3)ccc2N1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID660934,C=CCn1c(SCC(N)=O)nnc1-c1cccc(Br)c1
+,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,,CID2059848,Cc1cc(C)nc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1428553,O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCc2ccccc2C1
+,0.0,,,,,,,,,,,,,,,,CID5742571,Clc1ccc2nc(CSC3=NN/C(=C4/C=Nc5ccccc54)O3)cn2c1
+,,,,,,,0.0,,,,,,,,,,CID1878753,Cc1[nH]nc2c1C(=O)CC(C)(C)C2
+,,,,,0.0,,,,,,,,,0.0,,,CID2429227,CCCN(CC1CC1)C(=O)CSc1ncnc2sc(C)c(C)c12
+,,,,,,,,,,,,,0.0,,,,CID2487222,O=C(COC(=O)Cc1ccccc1F)Nc1ccc(Cl)cn1
+,,,,,,,,,,,0.0,,,,,,CID1294874,Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
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+,,,,,,,,,,,,,,,,0.0,CID3240160,CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCc3ccc(F)cc3)c(C)c2c1
+,,0.0,,,,,,,,,,,,,0.0,,CID5390090,CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccc(O)cc2)N1
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+,,,0.0,,,,0.0,,,,,,,,,,CID100304,O=C(Nc1ccccc1)Nc1nncs1
+,,,,,,,,,,,,,0.0,,,,CID9551207,CCOC(=O)CNC(=O)C1c2ccccc2C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID3474759,O=C(c1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN=C1SCc1cccnc1
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+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3243987,Cn1c(=O)cc(SCC(=O)N2CCCC2)c2cc(Cl)ccc21
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID628041,CCOC(=O)N1CCN(c2ccc(C(=O)CC)cc2F)CC1
+,0.0,,,,,,,,,,,,,,,,CID4577120,CCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,CID763323,COc1cccc(NC(=O)CSc2nnc(C)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID829511,O=C1/C(=C/c2cc3c(cc2Cl)OCO3)N2CCC1CC2
+,,,,,0.0,,,,,,,,,,,,CID585597,O=C(Nc1ccccc1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,,,,0.0,CID2813445,CCOC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
+0.0,,,,,,,,,,,,0.0,,,,,CID5307876,CN(C)c1ccc(C2N(c3ccc(Cl)cc3)C(=O)C3CCCN32)cc1
+,,,,,0.0,,,,,,,,,,,,CID1552293,O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(Cl)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID659805,ON1C2CCCCC2N(O)C1c1ccc(Cl)cc1Cl
+,,,,,,,,0.0,,,,,,,,,CID1299265,COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID1116206,CCOC(=O)C1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
+0.0,,,,,,,,,,,,0.0,,,,,CID3241243,O=C1C2CCCN2C(c2ccncc2)N1c1ccc(Cl)c(Cl)c1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID1343414,O=C(COc1ccccc1Cl)NCc1ccncc1
+,,,,,,,,,,,0.0,,,,,,CID2451992,Cc1cc(C)n2nc(C(=O)NCCc3ccccc3)nc2n1
+,,,,,,,,,,0.0,,,,,,,CID5883329,COc1ccc(C2C/C(=C3/C(=O)N=c4ccc(Cl)cc4=C3c3ccccc3)NN2S(C)(=O)=O)cc1
+,,,0.0,,,,,,,0.0,0.0,0.0,,0.0,,,CID3242381,CCCS(=O)(=O)N1CCC(C(=O)NCCCOC(C)C)CC1
+,,,,0.0,,,,,,,,0.0,,,,,CID889704,COc1ccc2c(c1)Cc1sc(NC(C)=O)nc1-2
+,,,,,,,,,,,,,0.0,,,,CID2370916,CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[nH]c2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2484516,O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC(=O)NCc1ccco1
+0.0,,,,,,,,,,,,,,,,0.0,CID3240036,CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O
+,,,,,,0.0,,,,,,0.0,0.0,,,,CID715241,CCOC(=O)Cn1nnc(-c2ccc(S(C)(=O)=O)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID5349132,CCC1=NN2C(=N)/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N=C2S1
+,,,,,,,0.0,,,,,,,,0.0,,CID5389692,C/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID1364433,Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID2559336,CC(=O)c1ccc(N2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID584618,Cc1nnn(C23CC4CC(CC(C4)C2)C3)n1
+,,,,,,,,0.0,,,,,,,,,CID2316284,Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(-c2ccccc2)n1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID650288,CC(C(=O)N1c2ccccc2Sc2ccccc21)n1nnc(-c2cccs2)n1
+,,,,,0.0,,,,,,,,,,,,CID3178362,CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)N1CCN(c2ccc(OC)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID743667,O=C(NCCN1CCOCC1)c1ccc(Cl)cc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID1484427,C/C(=N\OC(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)no1
+,,,,,0.0,,,,,,,0.0,,,,,CID3240559,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)N3CCn4c3nc3ccccc34)cc2CC1C
+,,,,,,,,,,0.0,,,,,,,CID3766432,CC(C)c1ccc(C2C(C#N)=C(N)N3C(=C2C#N)Sc2ccccc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1512090,COc1ccc(C(=O)Nc2n[nH]c(-c3ccncc3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1462968,NC(=O)Cn1nnc(-c2ccc(CN3CCCCC3)cc2)n1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID658237,CSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID1137490,O=C(c1ccc(Br)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,,0.0,,,CID740863,COC(=O)C1=C(C)N(CCc2ccc(OC)c(OC)c2)C(=O)C1
+,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,CID3238285,CC1Cc2nc(SCC(=O)NC3CCCCC3)n(C)c(=O)c2S1
+,,0.0,,,,,,,,,,,0.0,,,,CID5081527,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID2791582,O=Cc1nc(-c2ccc(Cl)cc2)n2ccccc12
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID2788461,C=C(C)c1cccc(C(C)(C)NC(=O)NCC2CCCO2)c1
+0.0,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,CID3243515,COc1ccc(OC)c(Nc2cc(C(=O)NCCCN3CCOCC3)c3ccccc3n2)c1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID709847,COc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1OC
+0.0,,0.0,,,,0.0,,,,,,,,0.0,,0.0,CID3239397,Cc1cc(N2CCC(C)CC2)nc2ccc(N3C(=O)CCC3=O)cc12
+,0.0,,,,,,,,,0.0,,,,,,,CID2698142,CN(CC(=O)NC(=O)NCc1ccco1)Cc1nc(=O)c2ccccc2[nH]1
+,,,0.0,,,,0.0,,,,,,,,,,CID848373,COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID769736,O=S1(=O)C=C(SCCN2CCCC2)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID768838,Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID977814,Cc1ccc2[nH]c(O)c(Cc3ccccc3)c(=O)c2c1
+,,,,,,,,0.0,,,,0.0,,,,,CID649048,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(OC)c(OC)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1017159,CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Br)c1OCC(=O)OC
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID648543,COc1ccc(-c2c(C)n([O-])c(C)c(C)[n+]2=O)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID659055,O=C1CCC2CCCCC2(O)O1
+,,,,,0.0,,,,,,,,,,,,CID2269811,Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=S)NC3=O)cc2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3238217,CCN1C(=O)C(C(=O)Nc2ccc(OC)cc2)C2CC1(C)Oc1ccccc12
+,0.0,,,,,,,,,,,0.0,,,,,CID3239028,Cc1ccc(NC(=O)Cn2nnc(C(=O)Nc3ccc(C)c(C)c3)c2N)cc1
+,,,,,,,,,,,,,,0.0,,,CID749630,Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCCC1
+,,,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,CID1331552,CCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID1249831,CCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)Nc2ccccc2C)c1
+,0.0,0.0,,,,,,,,,,,,,,,CID3240219,N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1CCN1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID834970,Nc1nnnn1/N=C/c1cccc(OCc2ccccc2Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID839890,COc1ccc(C(=O)N/N=C(\C)Cn2nc([N+](=O)[O-])cc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID5763876,COc1cccc(N2C(=O)c3ccccc3N/C2=C\C=C2\C=CC(=O)C(O)=C2)c1
+,0.0,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,,CID1107139,O=C(NCc1cccs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,0.0,0.0,CID851219,Cc1ccc2oc(=O)n(CCOc3ccccc3Cl)c2c1
+,,,0.0,,,,,,,,,0.0,,,,,CID5769217,C/C(=C\c1ccco1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,,0.0,,,CID1481689,COc1ccc(CNc2c(C(=O)O)cnc3c2cnn3C)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2594730,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(OCc4c(C)noc4C)cc3)CC2)cc1
+0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID645166,CCn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nnc1-c1ccoc1C
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID1235346,Cc1cccc(NC(=O)Cc2noc3ccccc23)c1
+,,0.0,,,,0.0,0.0,,,,0.0,,,,,,CID687986,CCSc1nc2cc(C(=O)OC)ccc2c(=O)n1CC
+,,,,,0.0,,,,,,,,,,,,CID9551348,CN(CCCNS(=O)(=O)c1cccc2cccnc12)Cc1ccccc1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID651479,COc1ccc(N2CCN(C(=O)CSc3nc(=O)c(C)n[nH]3)CC2)cc1
+,,,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,CID660139,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C1=COCCO1
+,,0.0,,,,,,0.0,,,,,,,,,CID3239511,COc1ccc(CNC(=O)c2ccc(NC(=O)C3CCCO3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6963061,Cc1ccc2nc(-c3ccncc3)c(Nc3ccccc3)n2c1
+,,,,,0.0,,,,,,,,,,,,CID678400,CCSc1sc(CC)cc1C(=O)O
+,0.0,,,,,0.0,,,,,,,,,,,CID2962692,CC(CCO)Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C
+0.0,,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,CID659214,Cc1[nH]c2ccccc2c1NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,,CID3532590,COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,,,CID586663,O=C(NCCc1ccc(Cl)cc1)c1ncn[nH]1
+0.0,,,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,CID585536,c1n[nH]c(NCc2ccc3c(c2)OCO3)n1
+,,,,,,,,,,,,,,0.0,,,CID2139911,CCOC(=O)c1cc(NC(=O)Nc2ccc(Br)cc2)c(C)nc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID698273,Cc1ccnc(NC(=O)c2sc3ccccc3c2Cl)c1
+,,,,,,0.0,,0.0,,,,,,,,,CID586709,CC(C)Oc1cccc(C(=O)O)c1
+,,,,,0.0,,0.0,,,0.0,,,,,0.0,,CID3240585,CCCCC(=O)NCc1ccc2c(c1)cc(C)n2C
+,,,,,,,,,0.0,,,,,,,,CID848948,CCn1c(SC(C)C)nnc1-c1cc(-c2ccccc2)sc1N
+,,,,,,,,,,,,,,0.0,0.0,,CID4042187,Cc1ccccc1OCc1nnc2n1CC(C)S2
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1083026,COC(=O)COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3239250,COC(=O)C1C(=O)C2=C(CC1C)NC(=O)CC2c1ccc(O)c(OC)c1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID729555,CN(c1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID3304199,O=C(COc1ccc(Cl)cc1)NCc1nnc(SCC(=O)N2CCCC2)o1
+0.0,,,,,,0.0,,,0.0,,,0.0,,0.0,,,CID646369,CN(C)c1nc(N2CCOCC2)nc(N(c2ccccc2)c2ccccc2)n1
+,,,,,0.0,,0.0,,,0.0,,,0.0,,,,CID3235616,COc1ccc(CC(=O)NC(CC(=O)O)c2ccc(OC)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3219219,Cc1cccc(N(C(=O)c2csnn2)C(C(=O)NC(C)(C)C)c2cccs2)c1
+,,,,,,0.0,,,,,0.0,,,,0.0,,CID652724,CCC1Oc2ccccc2N(CC(=O)Nc2ccc3c(c2)OCCO3)C1=O
+,,,,,,,,,,,,,0.0,,,,CID6078143,COc1ccccc1/C=C(/C(=O)NCCCn1ccnc1)c1ccccc1
+,,0.0,,,,0.0,,0.0,,,,,,0.0,,,CID2228275,CSc1ccccc1NC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
+,,,,,,,,,,,,0.0,,,,,CID646036,CCC(C)(C)n1nnnc1C(c1ccc(N(C)C)cc1)N1CCN(C2CCCCC2)CC1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID2203052,COC(=O)c1ccccc1NC(=O)CN(CCc1ccccc1)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID766284,Cc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,0.0,,,,,,CID645127,Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1SCc1ccccc1
+0.0,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,CID797232,COc1ccc(CNc2oc(-c3ccccc3)nc2C#N)cc1
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID744685,O=C(NC1CCCC1)NS(=O)(=O)c1ccccc1Cl
+,,0.0,,,,0.0,0.0,,,,,0.0,,,0.0,,CID3237458,CCOCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID644996,O=C(NCc1ccccc1F)C1CCCN1C(=O)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1482919,Cc1nn(C)c(Cl)c1C(=O)NCC(=O)Nc1ccc(C(C)C)cc1
+,,,,,,,,,0.0,,,,,,,,CID2872681,C=CCN1C(=O)C(Cc2ccc(OCC)cc2)S/C1=N\N=C\c1cccs1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2843843,Cc1cc(C)c(C)c(OCCCn2ccnc2)c1
+,,,,,,,0.0,,,,0.0,,,0.0,,,CID644542,O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccco1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID2999842,Cc1nnc(SCc2cn3ccsc3n2)n(N)c1=O
+,,,,,,,,,,,,,0.0,,,,CID16187647,O=C(c1ccc(Cl)cc1)C1CCCN(Cc2cccn2-c2ccccn2)C1
+,,,,,,,,0.0,0.0,,,,,,0.0,,CID2884971,COc1ccc(OCC(O)CN2C(=O)c3ccccc3S2(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2513736,CN1/C(=C\C(=O)CSc2nncn2C)C(C)(C)c2ccccc21
+0.0,,0.0,,,,,,,0.0,0.0,,,,,,,CID2999311,CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC(=O)NCC
+,,,,,,,,,,,0.0,,,,,,CID9550258,Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)c2c1C
+,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID1281415,COc1cccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)c1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID563972,CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1
+,,,,,,,,,,0.0,,,,0.0,,,CID3193631,CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID654219,O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C1CCCCC1
+,,,,0.0,,,,0.0,0.0,,0.0,,,,,,CID2866488,O=C(O)c1ccc(S(=O)(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1
+0.0,,0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,CID2232044,Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID4408518,Cc1ccc(/C=N/N2CCN(c3ccccn3)CC2)cc1
+,0.0,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,CID1518343,CCOC(=O)c1ccc(/N=c2\sc(C(=O)OC)cc(=O)n2Cc2ccco2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5378952,CCn1c(/C=C/c2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID9550831,COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID1509062,Cn1c(=O)c2c(nc(SCc3nn[nH]n3)n2Cc2ccccc2F)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID4532276,CC(C)CC(C)NNC(=O)c1cc2ccccc2[nH]1
+,,,,,,,,,0.0,,,,0.0,,,,CID1647590,CCCCc1nnc(SCCSc2nnc(CCCC)n2N)n1N
+0.0,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID663604,O=C(CSc1nnc(COc2ccccc2)o1)NCCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2082329,O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)NCCc1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1791579,COc1ccc(C(=O)NC(=S)NC(C)C)cc1Br
+0.0,,,,,,,,0.0,,,,,,,,,CID3238332,NC(=O)CN1CCCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID1006109,O=C(CNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2858920,C/C(=N\N=C(/N)SC1CC(=O)N(c2ccccc2)C1=O)c1cccs1
+0.0,,,,,,0.0,,0.0,,,,,0.0,,0.0,,CID603377,Nc1nonc1-c1noc(-c2ccccc2Br)n1
+,,,,,,,,,,,,,0.0,,,,CID3127833,Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)CCl)s2)cc1C
+,,,,,,,,0.0,,,,,,,,,CID1007938,CN(c1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1)S(C)(=O)=O
+,,,0.0,,,,,,,,,,,,,,CID658471,COc1ccc(Cn2c(=O)c3c(nc(NCCO)n3C)n(C)c2=O)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5771722,O=C1C=CC=C/C1=C1/CC(C(=O)NCCc2ccccc2)ON1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID650936,COCCN(C(=O)c1cccc(OC)c1)c1nnc(-c2ccncc2)s1
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID651995,Cc1ccc(S(=O)(=O)NCCOCCNS(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3158569,O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)c1cccc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2791392,Cc1ccsc1/C=N/Nc1cn[nH]c(=O)c1Cl
+,,,,,0.0,,,,,,,,,,,,CID3722206,COc1cnc(-c2ccccn2)nc1Oc1cccc(Cl)c1
+,,,,,,,,,0.0,,,,,,,0.0,CID3242802,COc1ccccc1N1CCN(C(=O)CSc2nc3ccccc3c(=O)n2CC2CCCO2)CC1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID1076450,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C(F)(F)F)c2)cc1
+0.0,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID2999001,Cc1nnc(SC(C)C(=O)Nc2ccc3c(c2)OCCO3)s1
+,,,0.0,,,,0.0,,,,,,,,,,CID3841831,COCCN1C(=O)c2oc3ccccc3c(=O)c2C1c1cccc(OC)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID1254542,COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
+,,,,,,,0.0,,,,,,,,,,CID5310389,CCc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID2768879,COc1ccc(-c2ccc(C#N)c(OC)n2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID2290599,O=C(CCCOc1ccccc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1122581,O/N=C/c1cc(Br)ccc1OCc1cccc(F)c1
+,,0.0,,0.0,,,,,,,0.0,,,,0.0,,CID2557629,COCCCN(C(=O)c1cccnc1SC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID3155709,CCOCCn1c(C(C)O)nc2ccccc21
+,,,0.0,,,,,,,,,0.0,,,,,CID1765449,O=C(O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1
+0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,,,CID822408,Cc1onc(-c2ccccc2)c1C(=O)NCc1ccco1
+,,,,,,,,0.0,,,,,,,0.0,,CID3238481,O=C(O)c1ccccc1NCN1C(=O)C2CC=C(Cl)CC2C1=O
+,,,0.0,,,,,,,,,,,,,,CID5309301,O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)CCS2
+,,,,,0.0,,,,,,,,,,,,CID855788,Clc1ccc2c(c1)=C(c1cccs1)NN=C(c1cccnc1)N=2
+,,,,,,,,,,,,,0.0,0.0,,,CID720656,Brc1ccc(-c2csc(N3CCOCC3)n2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2200923,COc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl
+,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,CID2999392,CCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)s1
+,,,0.0,,,,,,,,,,,,,,CID2998169,CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)OCC(=O)Nc1ccc(C)cc1
+0.0,,,,0.0,,,,,,,0.0,0.0,0.0,,,0.0,CID647998,CCCCc1noc2c1/C(=N/O)CC(c1ccccc1)C2
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID649872,O=C(CC1(O)C(=O)N(Cc2ccc3c(c2)OCO3)c2ccccc21)c1ccccc1
+,0.0,,,,,,,,,,,0.0,,,,,CID673648,CCN(CC)C(=O)c1sc(N)c(C#N)c1C
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID38661,Cc1ccccc1NC(=O)Cc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID9551559,O=C(NCCCN1CCN(c2ccccc2F)CC1)C1CC(=O)N(C2CCCC2)C1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID2080384,O=C(COc1ccc(Br)cc1)OCc1nnc(-c2ccccc2)o1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID1116274,CCOc1cc(C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC
+,,,,,,,,,,,0.0,,,,,,CID3151879,CCOC(=O)c1sc(NC(=O)CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)nc1C
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID1565693,Cc1cccn2c(=O)c(/C=N/Cc3ccccc3)c(NCCO)nc12
+,,,,,,,,0.0,,,,,,,,0.0,CID612449,OCC1(c2cc(C(F)(F)F)n[nH]2)CCCCC1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID3235731,Cc1cccc(-n2nnc(C(=O)N3CCc4ccccc4C3)c2N)c1
+,,,,,,,,0.0,,,,,,,,,CID2861800,COc1ccc(CC(=O)NCC2(c3ccc(OC)c(OC)c3)CCOCC2)cc1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID662232,CC(C)OC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1N
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID1308498,Cc1cccc(C)c1OCc1nnc(SCC(=O)NCc2ccccc2)o1
+0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,,CID668839,O=C(NCc1ccccn1)c1ccccc1Cl
+,,,,,,0.0,0.0,,0.0,,,,0.0,,,,CID659977,CCCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1
+,,,,,,,,,,,,,0.0,,,,CID2767263,CON/C=N/C(=O)Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID697592,COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S(C)=O)n2)cc1
+,,,0.0,,,,,,,,,,,,,,CID5307857,CC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2253073,O=C(NCCOc1ccccc1)c1ccccc1[N+](=O)[O-]
+,,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID2999325,Cc1ccc(Oc2ccc(OCC(=O)NC(C)C(=O)O)cc2)cc1
+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID3242452,CC(C)N1C(=O)CCC1C(=O)N1CCCc2ccccc21
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+,,,,,0.0,,,,,,,,0.0,,,,CID2633043,O=C(COc1cccc(Cl)c1)Nc1ccc(N2CCOCC2)cc1
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+,0.0,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID974456,O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cn1
+,0.0,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID713070,COc1cc(OC)nc(NC(=O)CSc2nc3ccccc3o2)n1
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+,0.0,,,,,,,,,,,,,,,,CID654168,COC(=O)CN(C#N)c1nc(OC)nc(N(C)C)n1
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+,,,,0.0,,,,,,,0.0,,,,,0.0,CID648215,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ncc(C)s3)n2Cc2ccco2)n1
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+,0.0,0.0,,,,,,,,,,,0.0,,,,CID649075,CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID889485,COCC(=O)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID852874,CCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1
+0.0,,,,,0.0,,,,,,,,,,0.0,0.0,CID663000,COc1ccc(C(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1
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+,,0.0,,,,,,,,0.0,,,,,0.0,,CID2948028,CCCc1[nH]nc2c1C(c1ccc(OC)c(Cn3nnc4ccccc43)c1)C(C#N)=C(N)O2
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+0.0,,,,0.0,,,,,,,,,,1.0,,,CID3703459,CC(=O)N1CCc2c(sc(NC(=O)C3CC3)c2-c2nc3ccccc3s2)C1
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+,0.0,,0.0,,,,,,0.0,,,,,,,,CID652623,CCN(CC)C(=O)C(C)OC(=O)COc1ccc(Cl)cc1C
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+,,,,,,,,,,,0.0,,,,,,CID1235801,O=C(CSc1ccccn1)Nc1nc2ccc(Br)cc2s1
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+,,,,,,,,,,,,,,0.0,,,CID1480482,CCN(CC)c1nc(-c2ccccn2)nc(-c2ccccc2)c1C#N
+,,,,,,,,,,,,,0.0,,,,CID1962624,COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc2c(c1)C(=O)N(C)C2=O
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+,0.0,,,,,,,,,,,0.0,,,,,CID5389635,C=CCN1C(=O)NC(=O)/C(=C(/C)Nc2ccc(NC(C)=O)cc2)C1=O
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+,0.0,,,,,,,0.0,,,,0.0,,,,0.0,CID1251489,COc1ccc(C(=O)CSc2nc3nc(C)cc(C)n3n2)cc1OC
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+0.0,,,0.0,,,,,,0.0,,,,,0.0,,,CID619964,CCCc1ncc(C(O)c2cccc3ccccc23)n1C
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID2232304,CCCCOc1ccc(C(=O)N2CCC(C)CC2)cc1
+,,0.0,0.0,,0.0,,,,0.0,,,,,,,,CID647343,COc1ccc(N2CCN(C(c3nnnn3CCc3ccccc3)C(C)C)CC2)cc1
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+0.0,,,,,,,,0.0,0.0,,0.0,,,,,,CID1208293,O=C1CNC(=O)/C1=C\N1CCN(C(c2ccccc2)c2ccccc2)CC1
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+,,,,,,,,,,,0.0,,,,,,CID2145341,COc1cccc2c(=O)n(CC(=O)N3CCCCC3)ccc12
+0.0,0.0,,,,,0.0,,,,,,,0.0,,,0.0,CID701068,O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCOCC1
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+,,,,,,,,,,,,,,0.0,,,CID16194306,CCOC(=O)C1CCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CC(C)N3C(=O)CC)CC1
+,,,,,,,,,,,,,0.0,,,,CID990726,CCOC(=O)c1c(C)nc(SCC(N)=O)c(C#N)c1-c1ccccc1
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+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID657617,Cc1nn(-c2ccccc2)c2c1C(=O)NC(=O)C(C)(C)C2
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+,,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,CID232613,COc1cccc(OC)c1OCCCN1CCOCC1
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+,0.0,,0.0,,,,,,,,,,,,,,CID661952,Nc1nc(NC(=O)Cc2ccccc2)nn1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2114251,CN1CC(=O)N(CC(=O)Nc2ccc(Br)cc2F)C1=O
+0.0,,,,,,,,,,,,1.0,,,,,CID3246790,Cc1ccsc1/C=c1\sc2ncnn2c1=O
+,,,,,,,,,,,,0.0,,,0.0,,CID664206,OC12CCCCC1C(c1ccc3c(c1)OCO3)N(Cc1cccc(F)c1)CC2
+,,,,,,,,0.0,,,,,,,,,CID247216,CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID3521030,CCOC1OC2C(CO)OC(n3cnc4c(N)ncnc43)C2O1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID5309216,COc1cccc(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1OC
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID100319,O=c1ccnc(Sc2ncccc2[N+](=O)[O-])[nH]1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID660057,OCCOCC#CCN1CCOCC1
+0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,CID661340,O=C(O)c1oc2ccccc2c1CN1CCN(c2ccccc2)CC1
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID659413,O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
+,,,,,0.0,,,,,,,,,,,,CID2296200,COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1
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+,,,,,,0.0,,,,,,,,,,,CID2991141,CC(C)CCn1c(CN2CC(C)OC(C)C2)nc2c1c(=O)n(C)c(=O)n2C
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+,,,,,,,,,,,,,0.0,,,,CID1180676,CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID651095,O=C(CSc1nnc(-c2cccs2)o1)c1cccs1
+0.0,,,,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,CID2842349,COc1ccc(C2N=C(c3ccccc3)C(C)(C)N2O)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID1724248,Cc1cc2c(cc1C)CSC(c1c(O)ccc3ccccc13)SC2
+0.0,0.0,,,0.0,,,0.0,,,,,,,,,,CID2999455,COc1ccc(CCn2c(C)cc(C(=O)CSc3nnnn3C)c2C)cc1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,,,CID662823,CC(C)(C)OC(=O)NCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1
+,,,,,0.0,,,,,,,,,,,,CID5349604,Cc1cccn2c(=O)c(/C=C3\SC(=S)NC3=O)c(NCCCn3ccnc3)nc12
+,,,,,,,,0.0,,,,,,,,,CID2544321,CC(C)CCNC(=O)NC(=O)COc1c(F)c(F)cc(F)c1F
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+,,,,0.0,,,,,,,,,,,,,CID3240812,O=C(Nc1cccs1)NC1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID21924,Cc1c(NC(=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,0.0,,,0.0,0.0,,,,,,,,,,,CID655805,O=C(NC1CCCCC1)C1CCN(c2cnccn2)CC1
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+0.0,,,,,,,,,,,0.0,0.0,,,,,CID1247515,Cc1cc(C(=O)N2CCN(CCc3ccccc3)CC2)no1
+,,,,,,,0.0,,,,0.0,,,,,,CID3245348,CCC(COC(=O)Nc1cccc(C)c1)NC(=O)OCC(C)C
+,,,,,,,,,0.0,0.0,,,,,,,CID1832219,CCC(=O)Nc1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)cc1
+,,0.0,,,,0.0,,,,,,,,,,,CID2898709,Cc1ccc(N(CC(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1C
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+,,,,,,,,,,,,,,,,0.0,CID5309911,COc1cc(NC(=O)Cn2ncc3c2-c2ccccc2OC3)cc(OC)c1OC
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+,,,,,,,,,,,0.0,,,0.0,,,CID2476421,O=C(NCn1cnccc1=O)c1ccccc1
+,,,,0.0,,,,,,,,,,,,0.0,CID651239,COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC
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+,,,,,,,0.0,,,,,,,,,,CID5738492,COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1
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+,,,,,,,,,,,,0.0,,,,,CID1259942,COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCOCC2)cc1Cl
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+,,,,,,,,,,,,,0.0,,,,CID1718169,CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID1792579,C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
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+,,,,,,,,,0.0,,,0.0,,0.0,,,CID650232,O=C(Nc1nnc(-c2ccco2)s1)C1CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID5389782,COC(=O)C(C)NC(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,,0.0,,,0.0,,,,,,0.0,,,,,CID738389,Clc1ccc2c(N3CCNCC3)ccnc2c1
+,,0.0,0.0,,,,,,,,,,,,,,CID646179,CCC(C)NC(=O)C1CCCN(C(=O)Nc2ccc(F)cc2)C1
+,,,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,CID735026,CCOC(=O)c1c(N)sc(C(=O)N(C)C)c1C
+,,,,,,,,0.0,0.0,,0.0,0.0,,,,,CID663991,N#Cc1nc(-c2ccco2)oc1NCc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID3826961,N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCO
+0.0,,,,,,,,,,,,,,,0.0,,CID5309352,CCOC(=O)C1=C(C)N=C2N=NNN2C1c1ccc(OC)c(Br)c1
+0.0,,,,,,,,,,0.0,,0.0,,,,0.0,CID653041,COc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID660586,CN(C)/C=N/c1nonc1N
+,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,0.0,CID2551988,O=S(=O)(NC1CCCC1)c1ccccc1Cl
+,,,,,0.0,,,,0.0,,,,,,0.0,,CID3240735,O=C(O)c1ccc2c(c1)NC(=O)C(N1CCCC1)S2
+,,,,,,,,,,,,,0.0,,,,CID2157839,COc1cc(CN(CCc2c(C)[nH]c3ccc(C)cc23)C(=S)NC(C)(C)C)cc(OC)c1OC
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+,,,,,,,,,,0.0,,,,0.0,,,CID2063790,COc1ccc(CCNCc2ccc(F)cc2)cc1OC
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+,0.0,,,,,0.0,,,,,,0.0,,0.0,,,CID661253,COC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)CCN1CCOCC1
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+,,,,,,,,,,,,,0.0,0.0,,,CID2764040,O=Cc1ccc(OCc2nnsc2Cl)cc1
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+,,,,,,,,,,0.0,,,0.0,,,,CID902060,COC(=O)c1cccnc1SCc1ccccc1
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID3242070,FC(F)(F)c1cc(-c2ccco2)nc(NCc2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID651555,Cc1ccc(S(=O)(=O)Cn2nnnc2C(c2ccccc2)N2CCN(c3ncccn3)CC2)cc1
+,,0.0,,,,,,,,,,,0.0,,,,CID3243274,COc1ccc(OC)c(NC(=O)CCCN2C(=O)C3C4C=CC(C4)C3C2=O)c1
+,,,,,0.0,,,,0.0,,,,,0.0,,,CID2207412,O=C(O)c1ccc2c(c1)C(=O)N(Cc1ccc3c(c1)OCO3)C2=O
+,,,,,,,,,,,0.0,,,,,,CID695281,CCOC(=O)CSc1nc(C)c2ccccc2n1
+,,,,,,,,,,,,,,0.0,,,CID766791,O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2105426,COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccccc3)o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID4895392,CCCC(=O)Nc1ccc2c(c1)nc(CN1CCN(C(C)=O)CC1)n2C
+0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,,,CID663793,c1ccc(OCc2nn3c(C4CCCCC4)nnc3s2)cc1
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID3240295,CCOc1cc2[nH]c(=S)n(CCCN3CCCC3=O)c(=O)c2cc1OCC
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID2904514,CCOC(=O)C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
+,,,,,,,,,,,,,0.0,,,,CID11958647,CCCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID1259864,Cc1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1Cl
+0.0,,,0.0,,,,0.0,,0.0,,0.0,,,0.0,,,CID2789527,Cc1n[nH]c(=O)nc1N1CCN(c2ccccc2)CC1
+0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID644439,CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1
+0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,CID1528683,CCN1/C(=N/c2ccc(Cl)cc2)SC/C1=C\C(=O)OC
+,,,,,,,,,0.0,,,,,,,,CID657736,C=CCNC(=O)CC(C)C(CCCCC)C(=O)O
+,,,0.0,,,,,,,,,,,,0.0,,CID1093323,CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc2c(c1)OCO2
+,,,0.0,,,,,,0.0,,,,,,,,CID662483,CCCSc1nc(=O)c(CC(=O)O)c(C)[nH]1
+,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,CID1379396,COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1-c1ccccc1OC
+,,0.0,0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,CID653721,Cc1cc(NC(=O)CSc2nnnn2C2CCCC2)no1
+,,,,,0.0,,0.0,,,0.0,,0.0,,,,,CID658979,Cc1oc2ccc(OCc3ccc(F)cc3)cc2c1C(=O)O
+,,,,,0.0,,,,,,0.0,,,,,,CID3238734,COC(=O)C1=C(NC(=O)c2ccc(C)cc2)CCS1
+,,,,,,,,,,,0.0,,,,,,CID858191,O=C(NCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID4137614,O=C(c1cccn2c(=O)c3ccccc3nc12)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID1457962,COc1cc2nc(C3CCC3)n(NC(=O)c3ccco3)c(=O)c2cc1OC
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,CID659213,O=C(c1coc(=O)c(Br)c1)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID5071411,c1ccc2c(Nc3ccc4c(c3)OCCO4)c3c(nc2c1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID888842,CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID654408,COc1ccc(CN(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccco2)cc1
+,,,0.0,,,,,,,,,,,,,,CID5389717,COCC(=O)NC1=NC2=NC(c3ccc(OC)cc3)CC(c3ccccc3)N2N1
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID3240608,COc1cccc(-n2ccnc2SCC(=O)N2CCc3ccccc32)c1
+,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID644696,N#CCn1c(C2CCCCC2)nc2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID666876,CCCCc1c(C)c2ccc(OCC(C)=O)cc2oc1=O
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2284,NCC(CC(=O)O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID775556,O=C(O)CCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1020611,COc1cc(OC)nc(Oc2ccccc2C(=O)Oc2ccc(Cl)cc2)n1
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID2999199,CCn1c(SCC(=O)c2cc(C)n(CC3CCCO3)c2C)nc2ccccc21
+0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,,0.0,CID650327,Cc1cc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCC(C)C4)no1
+,,,,,0.0,,,,,,,,,,,,CID1037079,COc1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1479751,O=C(OCc1cnc(Cl)s1)c1cccs1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID665943,CC(C)C(=O)Nc1cc(=O)nc2nc[nH]n12
+,,,,,,,,0.0,,0.0,,,,,,,CID766979,COC(=O)c1ccc(Cc2ccccc2)o1
+,,,,,,,0.0,,,,,,,,,0.0,CID652544,O=C(O)C1CCCN(C(=O)NCc2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID1616902,Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID11958608,C=CCCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(OC)c3)n2)s1
+,,,,,,,,,,0.0,0.0,,,,,,CID2954533,COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OCc1ccc(OC)cc1)C2c1ccc(C)o1
+,,,,,,,,,,,0.0,,,,,,CID1871599,Cc1cc(C)n(-c2nc3ccccc3nc2N2CCC(C)CC2)n1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,,CID662877,N#Cc1c(N)nc2c(c1-c1ccncc1)CCCC2
+,,,,,0.0,,,,,,,,,,,,CID1356027,COC(=O)c1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1
+,,,0.0,,,,,,,,,,,,,,CID3235775,COc1ccc(N2C(=O)CSC2c2ccc3c(c2)OCO3)c(OC)c1
+,,,,0.0,,,0.0,,,,,,,,,,CID665820,COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccc(C)cc2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3112292,CCOc1ccc(/C=N/NC(=O)COc2ccccc2-c2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2371981,O=[N+]([O-])c1ccc(CSc2ncnc3ccccc23)cc1
+,0.0,,,0.0,,,,0.0,,,,0.0,,,,,CID652961,CCOCCCN(CCC#N)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID653912,COc1ccc(Cn2nnnc2C(C(C)C)N2CCN(c3ccccc3OC)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2731884,O=C1CSC(c2cccnc2)N1c1ccc(Cl)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2921928,CC(CNC(=O)C1CCCCC1)NC(=O)C1CCCCC1
+,,,0.0,,,,0.0,0.0,0.0,0.0,0.0,,,,,,CID765496,O=C(O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1902927,Cc1c(NC(=O)/C(C#N)=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID915729,COc1ccc2c(c1)c(C(=O)CN1CCC(C(N)=O)CC1)c(C)n2C
+,,0.0,,,,,0.0,,0.0,0.0,,,,,,,CID3238579,COc1cc2[nH]c(=S)n(CCN3CCCCC3C)c(=O)c2cc1OC
+,,,,,,,,0.0,,,,,,,,,CID2201612,NC(=O)CSc1ccc(Br)cc1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID3238119,Cc1ccc(-c2noc(CCC(=O)Nc3ccccc3N3CCN(C)CC3)n2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2964388,COC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(C)ccc3C)C2)cc1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID2981941,CCOC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2453041,O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(Br)o1
+,,,,,,,,0.0,,,,,,,,,CID2908188,Cc1ccc(-c2ccc(/C=N/NC3=NC(=O)C(CC(=O)O)S3)o2)c([N+](=O)[O-])c1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID1590575,CCN(CC)c1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID717229,CS(=O)(=O)N1CCN(C(=O)Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2951358,CC(C)(C)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1
+,,,,0.0,0.0,,,0.0,,,,,0.0,,,,CID664551,Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2cccs2)s1
+,0.0,,,,,,0.0,,0.0,0.0,,,,,,,CID650047,Cn1c(SCC(N)=O)nnc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1849186,O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccsc1
+,,,,,,,,,,,,,,0.0,,,CID809032,O=C(CCc1ccccc1)NNC(=O)c1ccc(Br)cc1
+,,,,,,,,,,0.0,,,,,,,CID3173174,COCCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nc2sc3c(c2c1=O)CCC3
+,,,,,,,,,,,,,,0.0,,,CID935651,c1ccc(-c2noc(CC3CCCCC3)n2)nc1
+,,,,,,,,,,,,,0.0,,,,CID2211671,COC(=O)c1c(NC(=S)Nc2ccc(C(=O)N3CCOCC3)cc2)sc2c1CCC2
+,,,,,,,,,,0.0,,,,,,,CID3244522,Cc1ccc(NC(=O)c2cc(-c3ccco3)on2)cc1C
+,,,,,,,,,,0.0,,,,,,,CID1202671,Cc1ccc(-c2nnn(Cc3nc(N)nc(N4CCOCC4)n3)n2)cc1
+0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,CID650529,CCc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2C)s1
+,,0.0,,,,,,0.0,,0.0,,,,,,,CID2343926,O=C(OCC(=O)N1CCCC1)c1cccs1
+,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,CID3239006,CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
+0.0,,,,,,,,,,,,,,,,,CID660805,CN1CCc2c(sc3c2C(=O)NC(c2cn(Cc4ccccc4)c4ccccc24)N3)C1
+,,,,,,,,,,,,,0.0,,,,CID4172088,O=C1CN(O)C=C2N=c3ccccc3=C2N1c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID4036201,CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2828415,O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)Nc1cccc(F)c1
+,0.0,,,,,0.0,,,0.0,0.0,,,,,,,CID646115,CCn1nc(CC(=O)Nc2ccc(-n3cnnn3)c(C)c2)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID952830,CCC(=O)Nc1ccc(N2CCN(CC)CC2)c(Cl)c1
+,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,CID3243309,CC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)CS3)c1
+,,,,,,,0.0,,,,,0.0,,,,,CID1242643,Cc1cc2oc(=O)c3c(c2cc1OC(=O)c1ccco1)CCCC3
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+,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID3242829,CCOC(=O)N1CCN(C(=O)C(NS(=O)(=O)c2cccc3nsnc23)c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID778366,O=C(Nc1ccc2snnc2c1)N1CCSCC1
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+,,,,,,,,,,,0.0,,,,,,CID3220223,COc1ccccc1C(OC(=O)c1ccco1)C(=O)NC1CCCCC1
+,0.0,,,,,,,,,,,,,,,,CID3367903,Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1
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+,,,,0.0,,,,,,,,,,,,,CID3238796,CCOC(=O)N1CCN(c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)CC1
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+,0.0,,,,,,,,,0.0,,0.0,,,,,CID2621219,O=C(CSc1nnnn1-c1ccccc1)NC(=O)Nc1ccc2c(c1)OCCO2
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+0.0,,,,,,,0.0,,,,,,,,,,CID661309,C=C(C)Cn1c(-c2ccc(OC)cc2)nc2ccccc21
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID661514,COc1ccc(-c2nnc3sc(CN4C(=O)c5ccccc5C4=O)nn23)cc1
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+,,,,,,,,,,0.0,,,,,,,CID755572,Fc1ccc(Cn2cnc3ccccc32)cc1
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+,0.0,,,,,0.0,,,,,,,,,,,CID2883124,O=C(O)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
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+,,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID644724,COc1ccc(-c2nnc(CSc3nc4ccccc4c(=O)n3C)o2)cc1OC
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+,,,,,,,,,0.0,,,,,,,,CID934904,CCN(CC(=O)N1CCCC1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID1301315,CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)sc2=S)cc1
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+,,,,,,,,,,,,,,,,0.0,CID3236903,COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2cccnc2)CC1
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+,,,,,,,,,,0.0,,,,,,,CID716715,Cc1cc(C)n2c(SCc3ccc(Cl)cc3Cl)nnc2n1
+,,0.0,,,,,,,,,,,,,,,CID3242412,COc1ccccc1NC(=O)CN1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID935439,Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1
+,0.0,,,,,,,0.0,0.0,,,,,,,,CID2116593,Cc1cc(NC(=O)COC(=O)COc2ccc(C(=O)c3ccccc3)cc2)no1
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+0.0,,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID655434,COc1ccc2nc(SCC(=O)N(C)C3CCCCC3)c(C#N)cc2c1
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+,,,,,,,,,,0.0,,,,,,,CID3245359,Cc1c(C(=O)NCc2ccco2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12
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+0.0,,,0.0,,,,0.0,0.0,,,,,,,,0.0,CID3242434,CN1CCN(Cc2cc(COCc3ccccc3)c3cccnc3c2O)CC1
+,0.0,,,,,,,,,,,,,,0.0,,CID648437,Cc1noc(C)c1CSc1nc(=O)c(C)n[nH]1
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+,,,,,,,,,,,0.0,1.0,,0.0,,,CID649991,Nc1nncn1C(=O)c1cccs1
+,,,,,,,,,,,0.0,,,0.0,,,CID2931090,CC(C)CC(=O)NCC(C)NC(=O)CC(C)C
+,,,,,,,,,,,,,,0.0,,,CID613437,CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID838951,CCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1
+0.0,,,,,,,,,,,,,,,,,CID646958,COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6cnccn6)CC5)n3n2)CCCC4)c1
+,,,,,,,,,,,0.0,,,,,,CID694608,O=C(CSc1nc(=O)c2ccccc2[nH]1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1508121,CCOc1nc(C)cc(COC)c1C(N)=O
+,,,,,,,,,,,0.0,,,,,,CID1344872,O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1
+,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,CID653596,O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC3(CCCCC3)C2)cc1
+,,,,,,,,0.0,0.0,,,0.0,,,,,CID2221761,O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID3162344,CCOc1c(OC)cccc1C1CC(=O)Nc2cc(OC)c(OC)cc21
+,,,,,,,,0.0,,0.0,,,,,,,CID1445435,COc1ccc(CNC(=O)CN(Cc2ccccc2)C(=O)c2csnn2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2862672,CCc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2983301,COc1ccc(C)cc1NC(=O)C(C)N(c1ccc(C)cc1)S(C)(=O)=O
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID595041,COc1ccc(C2=[N+]([O-])C(C)(C)N(O)C2(C)C)cc1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID1326052,Cc1c(Br)cc(C(=O)N2CCN(CCO)CC2)c(C)c1C
+,,,,,,,,0.0,,,,,,,,,CID2479170,O=C(CN1C(=O)NC2(CCCCCCC2)C1=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,,,,,,,,,,CID732127,CC(C)CN(CC(C)C)C(=O)/C=C/c1ccccc1
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID3243160,COc1ccc(CNC(=O)C(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C(C)C)cc1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID654543,COc1ccc(NC(=O)CS(=O)CC(=O)Nc2ccc(OC)c(OC)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2092858,Cc1c(NC(=O)/C=C/c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,0.0,,,,,,,,CID774600,Cc1ccc(OCC(=O)N/N=C/c2ccco2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3236469,Cc1ccccc1NC(=O)Cn1cnc2c(oc3ccccc32)c1=O
+,,,,,,0.0,,,,,0.0,,,,,,CID651693,COC(=O)c1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)c2cnccn2)cc1
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID5307825,Cc1c(Cl)cccc1NC(=O)CN1C(=O)CSc2ncccc21
+0.0,,,0.0,,,,,,,,,0.0,0.0,,,0.0,CID970835,O=C1CN(c2ccccc2Cl)C(=O)CN1c1ccccc1Cl
+,,,,,,,,,,,,,,,0.0,,CID5307492,COc1ccc(C2CC(c3c(Cl)cccc3Cl)N3NC(N)=NC3=N2)cc1
+,,,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,CID715098,CS(=O)(=O)NCc1ccc(C(=O)NCc2ccccc2)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID644652,CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4306879,C/C(=N\Nc1cccc(C(=O)O)c1)c1ccc(Cl)s1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID666826,CCC1CCCCN1Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)o1
+,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,CID2309170,C=CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID3102728,CCOc1ccccc1C(=O)NC(CO)C(=O)O
+,,,,,,,0.0,,,,,,0.0,,,,CID660303,CCOC(=O)c1c(C)oc2ccc(OCC(=O)C(C)(C)C)cc12
+0.0,,0.0,,0.0,,,,0.0,,,,,,,,,CID3242021,CCCC1CCC(C(=O)Nn2cnc3ccccc3c2=O)CC1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID660300,COC(=O)c1ccccc1N1C(=O)C2ON=C(c3ccc(Br)cc3)C2C1=O
+,,,,,,,,,0.0,,,,,,,,CID3102731,CC(C)COc1ccccc1C(=O)NC(CO)C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID2892035,CN(Cc1ccccc1)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccccc2)C1=O
+,,,,0.0,,,,,,,,,,,,,CID655887,COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID11958565,COc1ccccc1CNC(=O)C1CC(c2ccccc2[N+](=O)[O-])=NO1
+,,,,,0.0,0.0,,0.0,,,,,,,0.0,0.0,CID646446,CC(=O)OC(C(=O)NC1CCCCC1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2963777,O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1471216,Cc1ccccc1C(=O)NC=C1C(=O)OC(C)(C)OC1=O
+,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,CID649627,O=S(=O)(c1cccs1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID851335,O=C(CCSc1ccccn1)Nc1ccc(Br)cc1
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID651103,O=C(Cn1nnc(-c2ccccc2-n2cnnn2)n1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2592745,O=C(COc1ccc(C(=O)c2ccccc2)cc1)NCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2375381,O=C(CSCc1ccco1)NC1CCCC1
+,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,,,,CID2955956,O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID2372419,NC(=O)COC(=O)/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1093493,O=C(CSc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2489123,CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2862078,CC(C)(C)C1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1
+,,,,,,,,,,,,,,0.0,,,CID531835,COc1cccc(C(=O)N2CCOCC2)c1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID3240923,O=C(CSc1nnc(CNC(=O)c2cccs2)o1)c1ccccc1
+,0.0,,,,,,,,,,0.0,,,,,,CID3240705,C=CCOc1ccc(/C=N/n2cncn2)cc1OC
+0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,CID1251920,Cc1cc(=O)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[nH]1
+,,,0.0,,,,,,,,,,,,,,CID2963303,CCCC(C)c1nnc(NC(=O)C2CCCO2)s1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID660496,COc1ccccc1NC(=O)CS/C(=N/C(C)C)NC#N
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID5309178,CCOC(=O)N1CCN(CC(O)c2ccc3cc[nH]c3c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5337704,CN(C)c1ccc(/C=C2\SC(=S)N(/N=C/c3ccc(N(C)C)cc3)C2=O)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID1712720,CCCNc1c(N)c(=O)oc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2298907,Fc1ccccc1NC(=S)NCCc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID4101503,CC(=O)N1CCN=C1SCc1ccccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID773829,Cc1ccccc1OCC(=O)N/N=C/c1ccccn1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID775942,Cc1ccc(C(=O)NNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
+,,,,0.0,,,0.0,,,,,,,0.0,,,CID653328,O=C(CNC1CCCCCC1)Nc1ccc(S(=O)(=O)NC2CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2891805,C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1cccs1
+,,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,CID3238538,O=C(CCn1c(SCC(=O)NCc2ccco2)nc2ccccc2c1=O)NCCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID712042,Nc1nnc(-c2ccccc2[N+](=O)[O-])o1
+,,,,,,,,,,,0.0,,,,,,CID3231120,O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)NC1CCCCC1
+0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,,,CID2065764,CC(=O)Nc1nnc(SCC(=O)NCCOc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID1476689,COCc1cc(Sc2c(Cl)cccc2Cl)nc(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,,CID1321007,NS(=O)(=O)c1ccc(CCNC(=O)CSc2ccccc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID932157,CCOc1cc(C)nc(NCc2ccccc2)n1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2973202,CC1Cn2c(CCc3ccccc3)nnc2S1
+,,,,,,,,,,,,,0.0,0.0,,,CID697060,O=c1cc(-c2ccccc2)[nH]c(SCc2ccc(Cl)cc2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID840391,C/C(=N\NC(=O)c1c[nH]c2ccccc12)c1ccc(C)o1
+,,,,,0.0,,,,,,,,,,,,CID5341178,C/C(=N/N=C(\C)C1C(=O)c2ccccc2C1=O)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID16190360,Cn1cc(CN2CC3(C)CC2CC(C)(C)C3)c(-c2ccc3c(c2)OCCO3)n1
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID2091162,COc1cc(CC(=O)Nc2ncc(C)s2)cc(OC)c1OC
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+,0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,,CID2223353,Cc1ccc(CNC(=O)c2ccccc2NS(C)(=O)=O)cc1
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+,,0.0,,,,,0.0,,,,,,,,,,CID665881,COc1cc(C2C3CCCCC3(O)CCN2Cc2ccccc2F)ccc1O
+0.0,0.0,,,,,,,,0.0,,,,0.0,,,,CID731858,COc1ccc(NC(=O)C=C(C)C)cc1Cl
+,0.0,,,,,,,0.0,,0.0,,0.0,,,,,CID720097,CC(=O)Nc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
+0.0,0.0,,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,CID848717,c1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1
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+,,,,,,,,,0.0,,,,,,0.0,,CID3241612,CNC(=O)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
+,,,,,,,,,,,,,,0.0,,,CID886476,Fc1ccccc1NC(=S)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,0.0,,,,,,,CID3721360,COC1(OC)N=C(N)C2(C#N)C(c3ccccc3)NC(C)=CC12C#N
+,,,,,,,,,0.0,,,,,,,,CID1569301,CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1NCCOCCO
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+,,,,,,,,,0.0,0.0,,,,,,,CID2448614,O=C(Nc1ccccc1N1CCCCC1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1182103,Clc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID3245367,CCC(Sc1nc2nnc(C)c-2c(N)n1-c1cccc(Cl)c1)C(=O)NCCOC
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+,,,0.0,,,,,,,,,0.0,,,0.0,,CID661243,CC(=O)Nc1ccc(Oc2ccc3nc(C)[nH]c3c2)cc1
+,,,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,CID700590,c1ccc(OCc2nc3ccccc3s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4536702,CCOc1cc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)cc(OCC)c1OCC
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID778472,COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID3237930,Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)o3)cc12
+,,,0.0,,,,0.0,,,,,,,,,,CID3235628,CCCCN(CC)CCNc1c(N2CCN(C(=O)OCC)CC2)c(=O)c1=O
+,0.0,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,CID666735,Cn1c2ccccc2c2ncn(CCN3CCOCC3)c(=O)c21
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID667133,Cc1ccc2cc(CN(CC(C)C)C(=O)C3CCCO3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2431769,CCCCNC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2565684,O=C(COc1cc(F)ccc1[N+](=O)[O-])Nc1cccc(Br)c1
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+,,,,,,,,,,,,,,0.0,,,CID785326,O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccncc1
+,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID847956,O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCCCC1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID645922,Cc1nnc(SCCCN2C(=O)c3ccccc3C2=O)o1
+,,,,,,,,,,,0.0,,,0.0,,,CID1486910,CNC(=O)c1csc(-c2ccccc2)n1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2941849,Cn1c(CC2C(=O)Nc3ccc(Br)cc32)nc2ccccc2c1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID1247382,O=C(c1ccc(Cl)s1)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID5884095,COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)CC#N)C1=O
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+,,,,,0.0,,,,,,,,,,,,CID5036868,CC(NC(=O)c1ccccc1NC(=O)c1cccnc1)c1ccccc1
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+,,,,,,,,,,0.0,,,,,,,CID587910,CN(C(=O)c1ccncc1)C1CC(C)(C)N(O)C(C)(C)C1
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3239227,O=C(NCCN1CCN(c2ccccc2)CC1)c1ccc(NC(=O)C2CCCO2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2218556,COCCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3236291,Cc1ccc(-n2nc3c(c2NC(=O)c2ccc4c(c2)OCO4)CSC3)c(C)c1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID1503137,COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nnc(-c2cccnc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID847847,CCNS(=O)(=O)c1ccc(-c2ccc(-n3cnnn3)cc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID11957722,CCN(CC)C(=O)NC1CC2c3cccc4[nH]cc(c34)CC2N(C)C1
+,,,,,,,,,,,0.0,,,,,,CID997165,COc1ccccc1CNC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID2369439,Cc1cc(C)c(C#N)c(=N)o1
+,,,,,,,,,0.0,,,,0.0,,,,CID4365944,CCCc1[nH]c(=O)c(C#N)c2c1CCCC2
+,,,,,,,,,,,0.0,,,,,,CID2857154,Cc1nc([N+](=O)[O-])nn1C12CC3CC(CC(Br)(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,0.0,CID2156314,Cc1cc(NC(=O)CSc2nc3c([nH]c4ccccc43)c(=O)n2-c2cccc(C(F)(F)F)c2)no1
+,,,,,,,,,,,,,,0.0,,,CID5881233,O=C1NC(=O)C(=NNc2cc([N+](=O)[O-])ccc2O)C(=O)N1
+,,,,,0.0,,,,,,0.0,,,,,,CID1000451,Cc1nn(C(=O)c2cccc([N+](=O)[O-])c2)c(C)c1Sc1ccccc1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID658682,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID648195,O=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID659591,COC(=O)c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)o1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID1247913,COc1ccc(Cl)cc1C(=O)Nc1ccccc1N1CCN(C)CC1
+,,,,,,,,,,0.0,,,,,,,CID895245,CS(=O)(=O)N(CC(=O)N1CCCC1)c1ccc2c(c1)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID2767948,CC(C)NC(=O)c1ccc(CNC(=O)OCC(F)(F)F)cc1
+,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID972762,Cc1c(C(=O)NC2CCCCC2)oc2c1C(=O)CC(C)(C)C2
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,CID2215459,COCc1cc(C)nc(SCC(=O)N2CCC(C)CC2)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID3951466,NS(=O)(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID893149,COc1ccc([N+](=O)[O-])cc1NC(=O)CSCc1ccccc1C
+0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID890044,Nc1nc(CSc2ncn(-c3ccccc3)n2)cs1
+0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0,CID660061,COc1cccc(NC(=O)CSc2nc3c(c(-c4ccco4)c2C#N)CCCC3)c1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,,,CID649185,COc1ccc2sc(C)nc2c1NC(C)=O
+0.0,,,,,,,,,,,,,,,,,CID5309732,Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1CCc1ccccc1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,,,0.0,0.0,,CID648909,C=CCn1c(SCc2cccnc2)nnc1-c1ccncc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2565436,CCNC(=O)NC(=O)COc1ccccc1C#N
+,,,,,,,,,,0.0,,,,,,,CID709544,CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CCl
+,,,,,,,,,,,,,,0.0,,,CID841069,Cc1ccc(C(=O)Nc2sc(C(=O)N(C)C)c(C)c2C#N)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID651403,COCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID648665,Cn1cnnc1Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl
+0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID800354,O=C(CCn1cnc2ccccc2c1=O)Nc1cccc(Cl)c1
+,,,0.0,,,0.0,,,,,,,,,,,CID1245144,CCc1c(C)sc(NC(=O)OC)c1C(=O)N1CCOCC1
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+,,,,,,,,,,,,,0.0,,,,CID8904577,COc1cc(NC(=O)CN2CCC(Cc3ccccc3)CC2)c(C)cc1[N+](=O)[O-]
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+,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID1307421,O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)N1CCOCC1
+,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID5291723,COC(=O)c1cc2c([nH]c3ccccc32)c(C)n1
+,,,,0.0,,,,0.0,,,,,,,,,CID659474,O=S(c1ccsc1)c1ccsc1
+,,,,,,,,,,,,,,0.0,,,CID2883028,O=C1C2C3CCC(C3)C2C(=O)N1CNc1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3243552,COc1ccc(CN2CC(C(=O)NCCN3CCN(c4ccccc4F)CC3)CC2=O)cc1
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+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2418440,Cn1c(N)c(C(=O)COC(=O)Cc2ccsc2)c(=O)n(C)c1=O
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+,,,,,,,,,,,0.0,,,,,,CID5857014,CCCCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCOCC2)C1=O
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+,,,,,0.0,,,,,,,,,,,,CID4451747,CC(C)(C)c1ccc(C2(C)NC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1
+,,,,,,,,,,,0.0,0.0,,,0.0,,CID663692,CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C
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+,,,,,,0.0,,,0.0,,,,,,,,CID653403,CCOc1ccc2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)N3CCc4ccccc4C3)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID972371,COc1ccccc1C(=O)Oc1ccccc1C(=O)Nc1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID3142356,CCOC(=O)C1=C(C)NC(=O)C1CC(=O)O
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+,,,,,,,,,,,,,,0.0,,,CID2405133,CC(C)NC(=O)NC(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID5664087,c1ccc2nc3[nH]cnc3nc2c1
+0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,CID666353,N#Cc1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1420427,CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C31CCCC1
+,,,,,,,,,,,,,0.0,,,,CID2441931,Cc1ccc(SCC(=O)NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1C
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID1258440,COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C
+,0.0,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,,,CID970322,CCSc1ccccc1C(=O)Nc1cc(C)on1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2942845,O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccccn2)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID3244582,C=CCNC(=O)c1ccccc1Cl
+0.0,,,,,,,,,,,,,,,,,CID5307565,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)o2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID728868,O=c1c(O)c(-c2cccs2)oc2ccc(Cl)cc12
+,,,,,,,0.0,,,,,,,,,,CID3240367,CCCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307136,COCCCNC(=O)c1cc2c(-c3ccc(Cl)cc3)nn(C)c2s1
+,,,,,,0.0,0.0,0.0,,,,0.0,,,,,CID2977127,O=C(Nc1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O)C1CCCO1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID650889,CCCCN(C(=O)c1ccco1)c1nnc(-c2cc(OC)c(OC)c(OC)c2)s1
+,,,,0.0,,,,,,,,0.0,,,,,CID1182237,COc1ccc(CCNC(=O)CSc2nc(N)c3c(C)c(C)oc3n2)cc1OC
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,,CID655218,O=C(CSc1nc(=O)c2c([nH]1)CCC2)Nc1cccc(Cl)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID3239720,CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1cccc(C)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID1354623,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1
+,,,,,,,,,,,,,,,0.0,,CID222757,CC12CCC3c4ccc(OC(=O)c5ccccc5)cc4CCC3C1CCC2O
+,0.0,,,,,,,0.0,,,,0.0,,,0.0,0.0,CID650824,CC1(O)c2ccccc2C(=O)N1Cc1ccccc1
+0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,CID644782,O=C(NCCC1=CCCCC1)C1CCN(C(=O)Nc2ccccc2)CC1
+,,,,,,,,0.0,,,,,,,,0.0,CID2698178,COc1cc2c(cc1NC(=O)CN(C)Cc1nc(=O)c3ccccc3[nH]1)oc1ccccc12
+,,,,,,,,,,0.0,,,,,,,CID2240091,O=C(c1cccc(F)c1)N1CCN(C(=O)c2cc3ncc(Br)cn3n2)CC1
+,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,CID647871,COc1cc(C)nc(N2CCCC(C(=O)Nc3cccc(Cl)c3C)C2)n1
+0.0,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID1075883,CCc1nc2oc(C(=O)c3ccccc3)c(N)c2c2c1COC(C)(C)C2
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID3000124,CSCCC1NC(=O)N(CC(=O)Nc2ccc(N3CCCCC3)cc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID727815,CC(C)(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1
+0.0,,,0.0,,0.0,,0.0,,,,,,,,,0.0,CID5309135,CCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21
+,,,,,0.0,,,,,,,,,,,,CID2827999,C=CCNC(=S)NC12CC3CC(CC(C3)C1)C2
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID648183,O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)c1cnsn1)NC1CCCC1
+,,,0.0,,0.0,,0.0,,,,,,,,0.0,,CID2998348,CCN1CCCC1CNC1=NCCCCC1
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+,,,,,,,0.0,0.0,0.0,,,,,,,0.0,CID3238910,COC(=O)C(NS(C)(=O)=O)(c1c(C)[nH]c2ccccc12)C(F)(F)F
+,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID645277,CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCN(c2ccccc2OC)CC1
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+,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,,CID3236540,C=CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
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+,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0,CID846649,O=C(CSc1ncccn1)NCc1ccccc1
+,,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,CID951980,CCOC(=O)C1CCN(C(=O)Cn2cc(C#N)c3ccccc32)CC1
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID3238628,CCOC(=O)N1CCC(NC(=O)Cn2ncn3c(cc4sc(CC)cc43)c2=O)CC1
+,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,CID870240,CC(C)OC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2
+,0.0,0.0,,,,,,0.0,,,,,,,,0.0,CID658396,CCOc1nc(SC(C(C)=O)C(=O)Nc2ccccc2)nc(N(C)C)n1
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+,,,,0.0,,,,,,,0.0,,,,,,CID648293,O=S(=O)(c1ccccc1)N(C1=NCCS1)S(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2945543,Fc1ccc(-c2n[nH]c(=S)n2CC2CCCO2)cc1
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+,,,,,,,,0.0,,,0.0,,,,,,CID911028,COn1c(-c2ccccc2)nc2c1CCc1nonc1-2
+,,,,,,,,,0.0,,,,,,,,CID2133511,Cc1sc2nc(SCC(=O)NCCO)n(C)c(=O)c2c1C
+,,,,,,,,,,,,0.0,,,,,CID3237559,O=C(c1cccn2c(=O)c3ccc(Cl)cc3nc12)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID5891930,COc1ccc(N2C(=O)c3ccccc3N/C2=C\C2=c3ccccc3=NC2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID3133529,O=S(=O)(c1ccc2ccccc2c1)N(CC(O)COCc1ccco1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5739490,N#C/C(=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1nc2ccccc2[nH]1
+,,,,,,,,0.0,,,,,,,,,CID3241815,CCOC(=O)N1CCC(Nc2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID1505983,CC1(C)CC(=O)C(C(=O)CCCN2C(=O)c3ccccc3C2=O)=C(NC(C)(C)C)C1
+,,,,,0.0,,,,,,,,,,,,CID3901438,Cc1ccc(C)c(SCC(=O)NCc2ccco2)c1
+,0.0,,,,,,,,,,,,,,,,CID664843,N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1
+,,,,,0.0,,,,,,,,0.0,,,,CID4779520,CC1CCc2sc(C(=O)NCc3ccc(F)cc3)cc2C1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID648641,Cc1cnc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cn1
+,,,,,,,,,,,,,,0.0,,,CID176545,NS(=O)(=O)c1ccc(NC(=O)CN2CCCC2)cc1
+0.0,,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,CID647603,Cc1cc(C)nc(SCc2nc3ccccc3n2C)n1
+,,,,0.0,,,,0.0,,,,,,,,,CID648532,COc1cc(-c2noc(C3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc(OC)c1OC
+,,,,,,0.0,,,,,,,,,,,CID3243567,COC(=O)CNC(=O)CCCCC(=O)NCC(=O)OC
+0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,,,CID2942855,O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2233775,COc1ccc(Cl)cc1C(=O)NNC(=O)c1cccnc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1087751,O=C(NCc1cccs1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
+,,,,,,,,0.0,,,,,,,,,CID1073207,COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)cc1
+,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,0.0,0.0,CID3237258,COc1ccc(CCNC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID9550091,O=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Br)cc1
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID772123,CCOc1ccc(S(=O)(=O)N2CCCCC2)c2ccccc12
+,,,,,,,,0.0,,,0.0,,,,,,CID946998,N#Cc1c(SCC(=O)O)nc(-c2ccccc2)c2c1CCCC2
+,,,,,,,,,,0.0,,,,,,,CID1773629,COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1OC
+,,0.0,,,0.0,,,,,,,0.0,,0.0,,,CID801923,O=C(c1ccccc1)N1CCn2c(nc3ccccc32)C1
+,,0.0,,,,,,,0.0,,,,,0.0,,,CID693802,CC(=O)Nc1nc(-c2cccs2)cs1
+0.0,,,,,0.0,0.0,,,,,0.0,,,,,0.0,CID3240223,COc1ccc(NC(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c(OC)c1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID5307107,Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1
+,0.0,,,,,,,,,,,,,,,,CID5769584,CC1=CC2=c3ccccc3=NC(c3ccc4c(c3)OCO4)N2N1
+,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,CID705798,Cc1ccc(CCC(=O)Nc2nccs2)o1
+,,,,,0.0,,,,,,,,0.0,,,,CID3116930,CCCCn1cc(C(C)(C)C)c(C#N)c1NC(C)=O
+,,,,,,,,,,,,,,,,0.0,CID770928,Cc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCCC2)cc1
+,,0.0,,,,,,,,,0.0,0.0,,,0.0,,CID801655,O=C(COc1ccccc1)N1CCN=C1c1ccccc1
+,,,,,,,,,0.0,,,0.0,,0.0,,,CID648416,O=C(c1ccccc1)N1CCCC(c2nc3n(Cc4ccccc4)[nH]nc-3c(=O)n2)C1
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID653665,O=C(Cc1cccs1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1
+,,,,,,,,,,,,0.0,,,,,CID5308499,CCOC(=O)C1CCN(c2c(N3CCCCCC3)c(=O)c2=O)CC1
+,,,0.0,,,,,,,,,,,0.0,,,CID2865923,CC(Nc1cc(=O)n(C)c(=O)n1C)c1ccccc1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID659759,CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2c2cccnc2)cc1
+,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,0.0,CID2194118,C=CCNC(=O)c1ccccc1NC(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1554982,COc1ccc(/C=N/OCC(=O)Nn2c(C)nc3ccccc3c2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID826950,COc1ccc2cc(C(=O)N3CCOCC3)sc(=O)c2c1OC
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID3000078,CCn1c(SCc2nc3ccccc3s2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
+,,,,,,,,,,0.0,,,,,,,CID2826775,CC(Cc1ccccc1)NC(=O)NC(C)Cc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID3241003,O=C(CCNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2327241,CN(C)/N=C/c1ccc(Sc2ccccc2[N+](=O)[O-])o1
+,,0.0,,,,,0.0,,,,,,,,,,CID661814,COc1ccccc1Cn1c(-c2ccco2)nc2nc3ccccc3nc21
+,,,,,,,,,,,0.0,,,,,,CID2919220,CCN1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID2142222,Cc1ccccc1Nc1cc2ccccc2c(=O)[nH]1
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID654065,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccn1
+,,,,,,,,,,0.0,,,,,,,CID3149084,CCc1nnc(NC(=O)CSc2nnc(-c3ccncc3)n2C)s1
+0.0,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID661953,COc1cc2[nH]c3c(=O)n(CCN4CCCCC4)cnc3c2cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1488612,CCOC(=O)c1sc(=S)n(-c2ccccc2Cl)c1SC
+,0.0,,,0.0,,,,,,,,,,,,,CID2948374,CSc1ccc(-c2nnn(CC(=O)NCc3ccccc3)n2)cc1
+,,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,CID3242651,CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccccc2)c1C
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID2096970,O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID2894259,O=S(=O)(NCCSc1ccccc1)c1cccs1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID18283,Cc1cn(C2C=CC(CO)O2)c(=O)[nH]c1=O
+,,,0.0,,,,,,0.0,,,,,,,,CID5310272,Cc1csc2nc(CNC(=O)CCC(=O)O)cn12
+,,,,,,,,,,,,,0.0,,,,CID1967469,O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID664506,CC(C)CC(NC(=O)Nc1cccc(Cl)c1)C(=O)O
+,,,,,0.0,,,,,,,,,0.0,,,CID2907601,CCOC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C)c1C
+,0.0,0.0,,,,,,,,,,,,,,,CID662231,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccn2)CC1)CC3
+,,,0.0,0.0,0.0,,,,,,,0.0,,,,,CID656110,CSc1nnc(-c2ccncc2)n1CCCN1CCCC1=O
+0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID653060,CCc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1
+0.0,,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID653760,Cc1cc(C)c2cc(C#N)c(SCC(=O)NCc3ccco3)nc2c1
+,,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0,CID2965197,CN1C(=O)C(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)N(C)C1=O
+0.0,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,CID3239065,Cc1cc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)on2)n(-c2ccccc2)n1
+0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,,,CID1095106,Cc1c(Cl)cccc1N(CC(=O)NC1CCCCC1)S(C)(=O)=O
+,,,,,0.0,,,,,,,,,0.0,0.0,,CID3243032,CCCN(c1ccc(C(C)C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2950381,CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(Cc2cccs2)C1=S
+,,,,,,,,,,,0.0,,,,,,CID902241,CCc1cc2c(=O)[nH]c(Cc3ccccc3)nc2s1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,0.0,,0.0,CID1637932,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccccc3)cc2)no1
+,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID2999730,CCOC(=O)c1ccccc1NC(=O)CSc1nccn1C
+,,,,,,,0.0,,,,,,,,0.0,,CID763776,C=CCN1C(=O)C(C)(C)N(C(C)=O)c2ccccc21
+0.0,0.0,,0.0,0.0,,,,,,,0.0,,0.0,,,,CID866719,O=C(CSc1nccn1-c1cccc(Cl)c1)NC1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID1261978,CCOC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID3120812,N#CC1=C(SCC(=O)Nc2ccccc2)NC(=O)CC1c1ccc(O)cc1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID2962908,COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1ccccc1)C2
+,,,,,,,,,,,,,,0.0,,,CID3477841,C=CCN(CC=C)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1
+0.0,,,,,,,,,,,0.0,,,,0.0,,CID652660,CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N3CCN(c4ccccc4)CC3)n21
+,,,,,,,,,,,,,,0.0,,,CID815338,COc1ccc(Cl)cc1NC(=O)CSc1nc(C)cc(C)n1
+,,,,0.0,,,,,,,,0.0,,,,,CID3236102,CC1CCCCN1C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc2c(c1)OCO2)OCO3
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID3239077,Cc1ccc2c(c1)N(CC(=O)O)C(=O)CO2
+,,,,,,,,,,,,0.0,,,,,CID2953635,CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCN(C)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2879971,Cc1ccc(CN2CCN(CC3CC4C=CC3C4)CC2)cc1
+0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,,0.0,CID2059324,O=C(CSc1ncnc2c1oc1ccccc12)OCc1ccccc1
+,,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,CID658285,COc1ccc2c(c1OC)C(=O)N(c1nccs1)C2
+,,,,,,0.0,,0.0,,,,0.0,,,0.0,,CID648669,COCCNC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID664740,Cc1nnc(SCSc2nnc(C)s2)s1
+,,,,,,,,,0.0,,,,,,,,CID2958039,CN(C)CCNC(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID628837,COC(=O)COc1ccccc1C(=O)Nc1ccc(OC)cc1
+,,,,,,,,0.0,,,,,,,,,CID1820382,CCCNS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
+,,,,,,,,,,,,,,0.0,,,CID2294457,O=C(/C=C/c1ccccc1)Nc1nnc(SCC(=O)c2ccc3ccccc3c2)s1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID3241986,COc1ccc(C(C(C(=O)c2ccco2)N2CCOCC2)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2453280,O=C(COC(=O)/C=C/c1ccccc1Cl)NC(=O)Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2565009,COc1ccc(CNC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3672746,CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCCC2)c1C
+0.0,,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,CID662117,Cc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID2067268,CCOC(=O)c1cnc(SCc2nc(N)nc(Nc3ccccc3)n2)nc1N
+0.0,,,0.0,,,,,,,,,,,,,,CID662930,COc1ccc(C(=O)Cn2c(N3CCCCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC
+,,0.0,,,,0.0,,0.0,,,,,,0.0,,,CID794732,CC(=O)n1cc(C2C(=O)CC(C)(C)CC2=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID826383,COc1cccc(Sc2ccccc2/C=N/NC(N)=O)c1
+0.0,,,,,,,,,,,,,,,,,CID5293854,CCO/C(O)=C1\NN=C(C(=O)c2ccc(Br)cc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2063316,Cc1ccc(-c2nn(Cc3ccccc3)cc2C=O)cc1
+0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID1245272,COc1ccc2nc(NC(=O)c3ccoc3C)sc2c1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID4349596,Cc1cc2ccccc2n1CCNC(=O)c1cccs1
+,,,,,,,0.0,,,,,,,,0.0,,CID2999807,CC(NC(=O)CN1CCC(C(N)=O)CC1)c1ccccc1
+,,0.0,,,,,,,,0.0,0.0,,,,,,CID2999458,Cc1nnc(C)n1/N=C/c1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID1834005,Cc1nc(-c2cccc(NS(=O)(=O)c3cccc4ccccc34)c2)cs1
+,,,,,,,,0.0,,,,,,0.0,,,CID722895,O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccc1
+,,,0.0,,,,,,,,0.0,,,,,,CID713737,CSc1nnnn1-c1cccc(O)c1
+,,,,,0.0,,,,,,,,,,,,CID5347839,CCCOc1ccc(/C=N/N2CCN(Cc3cccc4ccccc34)CC2)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID648832,COC(=O)c1ccc(NC(=O)CN2C(=O)CSC2=O)cc1
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID3240707,CCCC1CCC(C(=O)Nn2c(C)nc3ccccc3c2=O)CC1
+0.0,,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID650950,Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)N1CCc2ccccc2C1
+,,,,,,,,,,0.0,,,,,,,CID2871907,C/C(=N\O)C1(C)N(O)C(C)(C)C(c2ccc(F)cc2)=[N+]1[O-]
+,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,CID659463,CC1(C)Cc2c(sc3[nH]c(=S)n(Cc4ccco4)c(=O)c23)CO1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID3237875,O=C(c1noc2c1CCCC2)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID4572525,Cc1cc(C(F)(F)F)n2ncc(C(=O)O)c2n1
+0.0,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,,CID1096354,O=C(CCC1CCCC1)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3135002,CC(C)CCOc1ccc(NC(=O)C2OC3OC(C)(C)OC3C3OC(C)(C)OC23)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID649805,COCCn1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)N1CCN(C2CCCCC2)CC1
+,,,,,0.0,,,0.0,,,,,,,,,CID2741656,O=C(N1CCCC1)C12CC3CC(CC(C3)C1)C2
+,0.0,,,,0.0,,,,,,,0.0,,0.0,0.0,,CID2050900,CCC(CC)C(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)C2
+,,,,,,,,,,,,,,0.0,,,CID800809,CCn1c(COc2ccc(C)cc2)nc2ccccc21
+,0.0,,,,,,,,0.0,,,0.0,,,,,CID656312,CCCn1c(SCC(N)=O)nnc1-c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID3430262,CCCCn1c(-c2csc3c2CCC(C)C3)n[nH]c1=S
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID5020464,COCCn1c(SCC(=O)N2CCc3ccccc32)nc2c(c1=O)SC(C)C2
+,,,,,,,,,0.0,,,,,,,,CID1006273,N#Cc1c(SCc2nc3ccccc3[nH]2)nc2c(c1C(F)(F)F)CCC2
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID990849,O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NCc1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID832075,CCC(CC)C(=O)NCCN1CCN(C(=O)C(CC)CC)CC1
+,,,,,,,0.0,,,,,,,,,,CID2862957,CC1(C)CC(n2c(NCCO)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)CCO1
+,0.0,,,,,,,,,,,,,,0.0,,CID665286,CCC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)NCc4ccco4)n32)CO1
+,,,,,0.0,,,,0.0,,,,,,,,CID4877824,N#Cc1ccc(C(=O)NCC(c2ccco2)N2CCCC2)cc1
+,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,CID2530081,COc1ccccc1NC(=O)Cc1noc(CSc2nnc(C)s2)n1
+,0.0,,,,,,0.0,,,,,,,,,,CID3242304,Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(C4CCCCC4)CC3)CC2)cc1
+,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID6400941,CCCCN1c2ccccc2N(CCCO)c2cc(C)nnc21
+,,,,,,,,,,0.0,,,,,,,CID2966207,C=CCn1c(SCCOc2ccccc2)nnc1C(C)NC(=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID3256448,CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)CCc2nc3ccccc3s2)c1
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID2252413,CCCCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1110084,CC(=O)NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
+,,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID2355064,O=C(Cc1cccs1)OCC(=O)c1ccco1
+,,,0.0,,0.0,,,,,,,,,,,,CID659080,Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)SC1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID647020,CC(C)OC(=O)C1C(=O)NC2(C)CC1c1ccccc1O2
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID649620,CCCOc1ccc(-c2nnn(CC(=O)OCC)n2)cc1
+,,,,0.0,,,0.0,0.0,,,0.0,,,0.0,0.0,,CID713216,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)COC3=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1068811,N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)nc1Br
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,,CID816248,CCOc1ccc2c(c1)sc1nc(C(=O)OC)cc(=O)n12
+,,,,,,,,,,,,,0.0,,,,CID1103613,CCOC(=O)N1CCN(C(=O)Nc2ccc(NC(=O)N3CCN(C(=O)OCC)CC3)cc2)CC1
+,,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID1082880,COC(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2S1(=O)=O
+,,,,,0.0,,,,,,,,,,,,CID4326203,CCN1CCN(C(c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1
+0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,CID660927,COc1ccccc1-n1c(-c2cccnc2)n[nH]c1=S
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID893480,Cc1cc(C)nc(N(C#N)Cc2ccccc2Cl)n1
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0,CID892503,O=C(c1ccc(Cn2cc(Br)cn2)o1)n1cccn1
+,0.0,,,,,,0.0,0.0,0.0,,,0.0,,,0.0,,CID3125900,CCOC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc(NC(C)=O)cc1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID665966,CCOCCn1c(CN2CCN(c3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,,,CID651214,C1CCC(n2nnnc2CN2CCCC2)CC1
+,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID894037,Cc1ccc(S(=O)(=O)CCSc2nc(C)cc(C)c2C#N)cc1
+,,,,,,,,,,,0.0,,,,,,CID828540,CS(=O)(=O)n1nc(-c2ccccc2)nc1N
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID3243196,Cc1ccc(S(=O)(=O)NCCCCCC(=O)NC(C)(C)CO)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,,0.0,CID755301,Cc1cc(NO)nc(-c2ccc(Br)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID1369102,COc1ccc2c(Cl)c(C(=O)N/N=C/c3ccc4c(c3)OCO4)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID1107850,COc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID665137,Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2086513,Cc1sc2nc(CSc3nc4ccccc4s3)[nH]c(=O)c2c1C
+,,,,,,,,,,,0.0,,,0.0,0.0,,CID714435,COc1ccccc1Nc1ncnc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID3841655,Cc1ccc(C2CC(=O)NC(SCC(=O)Nc3nccs3)=C2C#N)cc1
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID1380388,N#CC1=C(N)NC(SCc2ccccc2)=C(C#N)C12CCCCC2
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID3238032,O=C(CN1CCN(C(=O)c2c(F)cccc2F)CC1)Nc1ccccc1F
+,,,,,,,,,,,,,,0.0,,,CID6372735,CC1=NN(c2ccccc2)C(=O)/C1=C/C=C/c1ccc(N(C)C)cc1
+,0.0,,,,0.0,0.0,,,,,,,,,0.0,0.0,CID653929,COCCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccoc1C
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID2942026,CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)NC2CCCCC2)=C(C#N)C1c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID662473,CC(C)c1nc(-c2ccccn2)no1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID720194,O=c1cc(CO)oc(CN2CCN(c3ccccc3)CC2)c1O
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID1242030,C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(=O)O)cc2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2372900,Cc1cc(C)n(CCc2nc(-c3ccco3)cs2)n1
+0.0,,,,,,,,,,,,,,,,,CID3243997,COc1cccc(-n2nnc3c(=O)n(Cc4c(F)cccc4Cl)cnc32)c1
+,0.0,,,,0.0,,,0.0,,,,0.0,,,,,CID879914,CCc1ccccc1N(CC(=O)OC)S(C)(=O)=O
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID1265073,COC(=O)c1ccccc1NC(=O)CNC(=O)c1ccco1
+,,0.0,,,,,,,,,,,,0.0,,,CID647707,COC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
+0.0,,,,,,,,,,,,,,,,,CID5307134,CCOC(=O)C1CCCN(c2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)C1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID653708,CCOc1ccc(CN(Cc2ccco2)C(c2cccs2)c2nnnn2C(C)(C)C)cc1
+,,,,,,,0.0,,,,,,,,,,CID5310361,Cc1ccn2cc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1
+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,,,CID646479,O=C(C1CCCCC1)N1CCC(n2nnc3ccccc32)CC1
+,,,,,,,,,,,,,,0.0,,,CID875579,Cn1ncc2c(Nc3cccc(C(=O)O)c3)ncnc21
+,,,,,,,,,,0.0,0.0,,,,,,CID1454595,CCN(CC)c1cc2nc(C)n(Cc3ccccc3)c(=O)c2cc1NC(=O)C1CC1
+,,0.0,0.0,,,,,0.0,,,,,,0.0,,,CID5307633,Cc1cc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)n(-c2ccccc2)n1
+,,,,0.0,,,,,,,,,,,,,CID2102778,O=C(CSc1ncc(C(F)(F)F)cc1Cl)N1CCN(S(=O)(=O)c2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1242987,O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(Br)o1
+0.0,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,0.0,,CID2144277,C=CCNc1oc(Cc2cccc3ccccc23)nc1C#N
+,,,,,,,,,,,,,,0.0,,,CID696887,O=c1c2ccccc2[nH]c(=S)n1CCc1ccccc1
+0.0,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,CID664811,COC(=O)C(NC(=O)NC1CCN(Cc2ccccc2)CC1)C(C)C
+,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,CID665054,Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccn3)cc2c1
+,,0.0,,,,,,,,,,,,,,,CID667158,Cc1ccc2nc3c(cc2c1)CC1(C(=O)N(C)C(=O)N(C)C1=O)C1COCCN31
+0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,0.0,,CID646707,O=C(Cn1nnc(-c2ccccc2NC(=O)c2cccs2)n1)Nc1ccccc1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID647952,COC(=O)c1oc2ccc(Br)cc2c1NC(=O)CCN1CCOCC1
+,,,,,,,,0.0,,,,,,0.0,,,CID1071239,CCn1c(SCC(=O)Nc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
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+,0.0,,,0.0,,,,,,,,,,,,0.0,CID866817,Cc1cc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)n(C)n1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID659622,Nc1nnc(CSCc2ccc(F)cc2)s1
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+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2941638,O=C(CC1Sc2ncnn2C1=O)Nc1ccc(Br)cc1
+,,,,,,,,,,0.0,,,,,,,CID1292808,O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)Nc1cccnc1
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+,,,,,,,,,,,,,0.0,,,,CID1152543,CN1CCN(C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)CC1
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+,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,,CID666732,C=CCn1c(Cc2cccs2)nnc1SCC(=O)c1ccc(F)cc1
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+,0.0,,,,,,,,,,,,,,,,CID1154395,CCn1cc(C(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)c2ccc(C)nc21
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+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID658578,Cn1c(N)c(S(=O)(=O)c2ccc(Br)cc2)c2nc3ccccc3nc21
+,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,,CID2118060,CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(c2)OCO3)c1C
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+,,,,,,,,,,,,,,0.0,,,CID1225486,CCn1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cn1
+,,,0.0,,,,,,,,0.0,,,,,,CID753835,CN(C)C(=O)Nc1cnc2ccccc2c1
+,,0.0,,,0.0,,,,,,,,,,,,CID741668,Cc1cs/c(=N\C(=O)c2ccccc2)n1Cc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2568330,CNS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2F)cc1
+0.0,,,,,,,,,,,0.0,0.0,0.0,,,,CID976746,Cc1cc(C)c(C#N)c(SCc2ccc3c(c2)OCO3)n1
+,,,,,,,,,,,,,0.0,,,,CID914394,COc1ccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)cc1
+,,,,,,,0.0,,,,,,,,,,CID3239725,COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)C2CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID3241489,CCN(CC)CCCNC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1
+,,,,,,,,,,,,,0.0,,,,CID16190079,Cc1cc(C)nc(CCNC(=O)c2cc(COc3ccc(F)cc3F)on2)n1
+,,,,,,,,,,,,,0.0,,,,CID5225000,CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID652347,COc1ccc2nc(C)cc(C(=O)O)c2c1
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+,,,,,,,,,,,,,,0.0,,,CID2765914,N#CCSc1sc(C#N)c(NC(=O)Cc2ccccc2)c1-c1ccccc1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID650955,CCCN1C(=O)NC2(O)C(=O)c3ccccc3C12O
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID797935,O=S(=O)(Nc1ccccc1F)c1ccc2nsnc2c1
+,0.0,,,,,,,,,,,,,,,0.0,CID3242730,O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
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+,,,,,,,,,,,0.0,,,,,,CID2833933,Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1
+0.0,,,,,,,,,,,,,,,,,CID3236953,CCOC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CC1
+,,,,,,,,,,,,0.0,,,,,CID9601081,CC1=CC(=O)C=C/C1=N\C1=C(Nc2ccc(O)cc2C)Nc2ccccc2N1
+,,,,0.0,,0.0,,0.0,,,,0.0,0.0,,,,CID670282,CS(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
+,,,,0.0,,,0.0,,,,,,,,,,CID646519,O=C(CN1CCC(O)(c2ccc3c(c2)OCO3)CC1)N1CCOCC1
+,,,,,0.0,,0.0,,,,,0.0,,0.0,0.0,,CID2524803,CCN(CC(=O)NCc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,0.0,,0.0,,,,,,,,,,,CID2196398,NS(=O)(=O)c1ccc(NC(=O)CN2CCN(Cc3ccccc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1471732,CC(=O)c1cc(C#N)c(N2CCCCC2)nc1C
+,,,,,,,,,,,0.0,,,,,,CID665596,CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1
+,,,0.0,0.0,,,,,,,,,,,,,CID2859383,CCCCCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)OCC)CC3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1207572,O=C(NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1)c1cncc(Br)c1
+,,,0.0,,,,,,,,,,,0.0,,0.0,CID2950422,O=C(C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccn1)c1cccs1
+,,,,,,,,,,,,0.0,,,0.0,,CID3237276,COC(=O)c1cc2oc(C)cc2n1CC(=O)Nc1ccc(OC)c(OC)c1OC
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID1190394,O=C(Nc1cc(Cl)ccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID687304,COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1
+,,,,,,0.0,,0.0,,,,,0.0,0.0,0.0,,CID2201513,COc1ccccc1-c1c(C)nn2c(C)c(C(C)=O)cnc12
+,,,,,0.0,,0.0,,0.0,0.0,,,,,,,CID484481,C(=N/n1cnnc1)\c1cccc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID16190294,Cc1ccc(-n2cc(CNC(C)Cc3cnccn3)c(-c3cccc(C)c3)n2)cc1
+0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID2971003,Cc1ccc(Cl)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID925199,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCc3ccccc32)cc1
+,,,0.0,,,,,,,,,,,,,,CID1893664,CC1(C)Cc2ccccc2-c2nc(NCCO)n(-c3ccccc3)c(=O)c21
+,,,,,,,,,,,,,0.0,,,,CID842564,Cc1cc(C(=O)N/N=C/c2cccn2C)no1
+,,,,,,,,,,,,,,0.0,,,CID1255271,CCNC(=O)c1ccccc1CCc1ccccc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID685108,CC(=O)c1ccc(N(C)C)c2c(N(C)C)cccc12
+,,,,,,,,,,,,,,0.0,,,CID900202,CCOc1cc(/C=N/NC(N)=O)ccc1OC(=O)c1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3244484,O=CNCC(=O)NCCc1ccc(Cl)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3245928,Cc1ccc(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2389752,CCOC(=O)/C(C#N)=C/c1cn(CCC(=O)O)nc1-c1cccc(Br)c1
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID2899772,O=C(NCc1ccccn1)C1COc2ccccc2O1
+0.0,0.0,,,0.0,,0.0,,0.0,,,,0.0,,,,,CID651393,CC1CCN(C(=O)Cn2c(SCC(=O)Nc3nccs3)nc3ccccc32)CC1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,,,CID2957464,CCCCCc1nnc(NC(=O)C2CCCO2)s1
+,,,,0.0,,,,,0.0,,0.0,,,,0.0,,CID1281354,Cc1ccccc1Oc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID796555,Cc1cc(C)nc(NC(=O)C(c2ccccc2)c2ccccc2)n1
+,,,,,,,,,,0.0,,,,,0.0,,CID2951236,COc1ccc(N2CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC2)cc1
+0.0,,0.0,,,,,,,,0.0,,,,,0.0,,CID653699,CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID1219199,CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CC(C)(C)OC3)cc1
+,,,,,,,,,,0.0,,,,,,,CID2220045,Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID4885033,Cc1ccccc1-n1nnnc1Sc1nnnn1-c1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2195248,COC(=O)c1ccccc1OCCOc1ccccc1C(=O)OC
+,,,,,0.0,,,,,,,0.0,,,,,CID649205,COCC(=O)N1CCC(n2nnc3cc(F)ccc32)CC1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID2524087,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,0.0,,,,,,0.0,,CID2912856,CC(O)c1cccc(NC(=O)CCC(=O)O)c1
+,,0.0,,,,,,0.0,,,,,,0.0,,0.0,CID2227105,COc1ccc(CCNC(=O)c2cnn3cccnc23)cc1OC
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID655492,Cc1cc2nnc(SCC(=O)NCc3cccs3)n2c(N)n1
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID3241778,CC(=O)Nc1ccc(S(=O)(=O)NCc2csc(-c3cccnc3)n2)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID659884,CC(=O)c1c(N)c(C#N)c(C)n1-c1ccc(Br)cc1
+,0.0,,,,,,0.0,,,,0.0,,,,0.0,,CID1834182,CCCc1cc(=O)nc(/N=C(\N)Nc2ccccc2)[nH]1
+,,,,,,,,0.0,,,,,,,,,CID3242789,Cc1cc(C(F)(F)F)nn1-c1nc(-c2ccco2)cc(C(F)(F)F)n1
+0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,CID647719,COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2C)cc1OC
+,,,,0.0,,,,,,,,,,0.0,0.0,,CID4122242,O=c1oc2ccccc2cc1NCc1ccccc1O
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID666176,O=c1cc(-c2ccccc2)nc2nc(SCc3ccccc3)[nH]n12
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID1093278,Oc1c(CN2CCN(c3ccccn3)CC2)cc(Cl)c2cccnc12
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3242300,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCC3COc4ccccc4O3)c21
+,,,,,,,,,,,,,,0.0,,,CID3534975,C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(C)o1
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID663096,Cn1c2c(c(=O)n(C)c1=O)C(NC(=O)c1cccs1)(C(F)(F)F)C(=O)N2
+,,,,,,,,,,,,,,,0.0,,CID3242976,CC(=O)c1c(C)[nH]c(C(=O)NCCC2=CCCCC2)c1C
+0.0,,,,,,,,,,,,,,,0.0,,CID655504,CCN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(Cl)ccc3Cl)C2C1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2947653,CC(=O)c1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
+,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID2999798,CC1CN(S(=O)(=O)c2cccc(C(=O)NCc3ccc4c(c3)OCO4)c2)CC(C)O1
+,,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,CID3238469,Cc1cccc(CCNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
+,,,,,,,,,,0.0,,0.0,0.0,,,,CID3332,O=C(O)Cc1ccc(-c2ccccc2)cc1
+,0.0,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID800469,O=C(CSc1ccccc1)NCc1cccnc1
+,,,0.0,,,,,,,,,,,,,,CID3243429,Cn1c(C(=O)NCCCN2CCCCC2)cc2sccc21
+0.0,,,0.0,0.0,,,,0.0,,,0.0,0.0,,,,,CID3000157,O=C1CC(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)C(=O)N1CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID773088,COc1ccc(O)c(CN2CCN(Cc3ccccc3OC)CC2)c1
+,,,,,,,,0.0,,,,,,,,,CID727074,O=C(NC1CCCC1)c1ccccc1-c1nc2ccccc2[nH]1
+,,,,,0.0,,,,0.0,0.0,0.0,,,,,,CID2947603,Cc1ccc(SC(C)C(=O)NCc2cccnc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID1323630,COc1c2occc2c(OC)c2c(=O)cc(C(F)(F)C(F)(F)F)oc12
+,,,,,0.0,,,,,,,,,,,,CID899418,CCSc1nc2sc3c(c2c(=O)n1CC)CC(C)(C)OC3
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID893921,COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID687487,Cc1ccc(-c2nn3nnnc3c3ccccc23)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2913118,c1ccc2c(c1)OCC(c1csc3ncnc(N4CCCC4)c13)O2
+,,,,,,,,,0.0,,,,,,,,CID3292989,N#CCSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1
+0.0,,,,,,0.0,,0.0,,,,0.0,,,,,CID897854,Cc1ccccc1C(=O)N1CCCN(C(=O)c2ccccc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID5567858,COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID1473341,c1ccc(CNc2nc3ccccc3n3cnnc23)cc1
+0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID5309736,O=C(C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID3669068,O=C(CSc1nnc(CNC(=O)c2cccs2)o1)NCC1CCCO1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID1288018,COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID2120919,O=C(NCCc1c[nH]c2ccccc12)c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4834367,CC(C)(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID3218158,COCCNC(=S)NC1CC2CCCC(C1)N2Cc1ccco1
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID2202972,Nc1nnc(SCC(=O)N2CCc3ccccc32)n1-c1ccccc1
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,,CID2999191,Cc1nn(-c2ccccc2)c2c1C(O)n1c(nc3ccccc31)S2
+,,,,,,,,,,,,,0.0,,,,CID2403834,COc1ccc(C(=O)NCC(=O)OCC(=O)Nc2sccc2C#N)cc1OC
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2229949,O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2sc3c(c12)CCC3
+,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,,,CID2868371,CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)cc1C#N
+,,,,,0.0,,,,,,,,,,,,CID2898055,Cc1ccc(Nc2nc(-c3c(C)nc4ncccn34)cs2)cc1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID662003,O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1CC1CCCO1
+,0.0,,,,0.0,,,,,,,,,,0.0,0.0,CID3244228,Cc1ccc(Cl)cc1-n1c(=O)cc(N2CC(C)OC(C)C2)[nH]c1=O
+,0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,CID657966,CCCC(=O)Nc1sc2c(c1C#N)CCCC2
+,,,,,,,,,0.0,,0.0,,,,,,CID856150,CCOC(=O)CSc1nnc(-c2cccnc2)o1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,CID2337199,COc1ccc(-c2nc(C#N)c(NC(C)C)o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3245376,CCC1Oc2ccc(C)cc2N(CC(=O)NCc2ccccc2OC)C1=O
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID2670170,CN1CCN(c2ccc(Cl)cc2NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2117126,COc1ccc2c(C)cc(SCC(=O)NCCN3C(=O)CSC3=O)nc2c1
+,,0.0,,,,,,,0.0,,0.0,0.0,0.0,0.0,,,CID2149418,CCOC(=O)COc1cccc2c(=O)n(CC(=O)NCc3ccc4c(c3)OCO4)ccc12
+,,,,,,,,,,,,,0.0,,,,CID1491214,COC(=O)/C=C/c1cnc2ccccc2c1
+,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0,0.0,CID735665,Cc1ccc(C)c(C(=O)CSc2n[nH]c(C)n2)c1
+0.0,0.0,,,,0.0,,,,,,,0.0,,,,,CID652652,OC(CNCc1ccco1)Cn1c2ccccc2c2ccccc21
+,,,,0.0,,,,,,0.0,0.0,,,,,,CID658024,COc1ccc(CN(C#N)c2nc(SC)nc(N(C)C)n2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3236586,CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cccc3nsnc23)c1
+,,0.0,,,,,,,,,,,,,,,CID2998081,Cc1nnc(Oc2ccccc2F)c2ccccc12
+,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID713202,Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2N)o1
+,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,CID3245205,COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2CCc2ccccc2)cc1OC
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID650704,CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)ccc3[nH]c2=O)c1
+,,,,,,,,,0.0,,,,,,,,CID230580,NNC(=O)CCc1c[nH]c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID6509206,O=C1C=CC=C/C1=C\NNc1nccnc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2414723,COc1ccccc1CNC(=O)/C=C/c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,0.0,,,,,,,,,CID823259,CCOc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
+,,,0.0,,,0.0,,,,,,,,,,,CID658805,COC(=O)c1sc2nc(N3CCCCC3)c3c(c2c1N)CC(C)(C)N(C)C3
+0.0,,,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,CID1346866,O=C1C(=C2CCCCC2)SC(=S)N1Cc1ccco1
+,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID699407,Cc1cccc(OCC(=O)Nc2cccc(O)c2)c1
+,,,,,,,,,,,,,0.0,,,,CID831609,Cc1cc(OCC(=O)NCc2ccncc2)ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID3212502,CCCc1nnc(SCC(=O)N2CCCCC2)n1CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID726013,Cc1ccccc1OCc1n[nH]c(=S)n1-c1ccccc1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID665536,COc1ccc(N2CCN(Cc3cc(=O)oc4c3ccc3ccccc34)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2089484,COc1ccc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2997005,CCOc1ccccc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID652797,Cc1cc(N2CCN(c3ccccc3)CC2)n2c(n1)nc1ccccc12
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID1259502,Cn1c(=O)c2c(nc(N3CCc4ccccc4C3)n2Cc2ccc(Br)cc2)n(C)c1=O
+0.0,,,,,,,0.0,,,,,,,,,,CID3243030,CCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID3237776,CCOc1ccc(-n2c(=S)sc3c(=O)nc(SCC(=O)NCc4ccco4)[nH]c32)cc1
+,,,,,,,,,,,,,0.0,,,,CID849392,COc1nc(Cl)cn(-c2ccc(C)cc2)c1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID888746,Cc1nnc(SCC(=O)N2CCc3ccccc3C2)s1
+,,,,,,,,,,,,,,0.0,,,CID5679707,N#CC(C(=O)CCl)=C1Nc2ccccc2N1
+,,,,,,,,,,0.0,,,,0.0,,,CID2221770,O=C(NC1CCCC1)C1(c2ccccc2)CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID3238992,O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCC2(CC1)OCCO2
+,,0.0,,,,0.0,,,,,,,,,,,CID762456,Cc1cc(Oc2ccccc2)nc2ccc(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID3163418,CC(C)(C)N1CC(C(=O)O)CC1=O
+,,,,,,,,,,,0.0,,,,,,CID2382077,O=C(N/N=C/c1ccncc1)c1nc(-c2ccccc2)n2c1CCCCC2
+,,,,,,,,,,0.0,,,,,,,CID658592,COCCOC(=O)C1=C(C)NC(=O)NC1c1c(OC)ncnc1OC
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID3237693,O=c1c2cc3c(cc2[nH]c(=S)n1CCN1CCOCC1)OCO3
+,,,,,,,,,,,,,,0.0,,,CID2078777,Cc1ccc(NC(=O)OCCNC(=O)c2ccncc2)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID3238645,O=C1c2ccccc2N2C(=O)c3ccccc3C2N1O
+,,,,,,,,,,,,,0.0,,,,CID1444809,CCCN(C(=O)c1ccco1)c1nnc(-c2cccc(C)c2)s1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID839422,CC(C)(C)NC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
+0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,0.0,,CID2335288,Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12
+,,,,,,,0.0,,,,,,,,0.0,,CID5013256,O=C(NCc1ccc(F)cc1)c1cnc2n(c1=O)CCS2
+,,,,,,,,,,,,,,0.0,,,CID1078302,C=CCn1cnc2sc(C(=O)Nc3ccccc3OC)c(C)c2c1=O
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID3236413,CCOC(=O)C1CCCN(C(=O)c2ccc3c(=O)n(CCOC)c(=S)[nH]c3c2)C1
+,,,0.0,,,,,,,,,,,,,,CID2830321,O=C(NC(C(=O)c1ccccc1)N1CCOCC1)c1ccccc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID2836847,CCOC(=O)C(C(=O)Nc1ccccc1)C1CCCCC1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID758102,CC1CCC(NCc2ccco2)CC1
+,,,,,,,,,,,,,,0.0,,,CID841179,Cc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)o1
+,,,,,,0.0,0.0,,,,,,,0.0,,0.0,CID1569498,CCOCCOC(=O)COc1ccc(N2C(=O)c3ccccc3C2=O)cc1
+,,,,,0.0,0.0,0.0,0.0,,,,,,,0.0,,CID645479,Cc1ccccc1N(CC(=O)NCc1ccc2c(c1)OCO2)C(=O)CCC(=O)Nc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID12005577,CCN1C(=O)/C(=N\NC(=O)C2C(=O)NCC2c2ccccc2)c2ccccc21
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2125848,Cc1cc(C(=O)CSc2nnnn2C)c(C)n1CCc1ccc(F)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID648338,COc1ccc2oc(C)c(C(N)=O)c2c1
+,,,,,,,,,,,0.0,,,,,,CID3427505,COc1ccc(-n2nc(C(=O)NCC(=O)Nc3ccccn3)c3ccccc3c2=O)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2215859,Cc1cc(=O)nc(SCCCOc2ccccc2Cl)[nH]1
+,0.0,,,,0.0,0.0,,,,0.0,,,,,,,CID704537,COc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1
+,,,,,,,,,0.0,,,,,,,,CID673954,O=[N+]([O-])c1ccc(Cl)cc1Sc1cccc2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID2207510,CCCCC(=O)Nc1ccc(C(=O)N(CC)c2ccccc2C)cc1
+,,,,,,0.0,,,0.0,,,,,,,,CID2842210,CCOC(=O)C(C#N)c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2870211,COc1ccc(OC)c(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)c1
+0.0,,,,,,,,,,0.0,,,,,,,CID3240913,COc1ccc(OC)c(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2289107,COc1cc(C)ccc1OCCOc1cc(C)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1479949,CCOC(=O)c1cnc2ccc(C)cc2c1Sc1ccccc1C(=O)OC
+,,,,,0.0,,,,,,,,,,0.0,0.0,CID647503,Cc1ccc2c(c1)N(Cc1ccncc1)C(=O)C(C)O2
+0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID646007,O=S(=O)(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2684576,COc1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)oc1ccccc12
+,,,,,,0.0,,,,,,,,,0.0,,CID2936669,CCC(C)c1ccc(NC(=O)CC(C)=O)cc1
+,,0.0,,,,0.0,,0.0,,,,0.0,,,,0.0,CID663591,COCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(OC)cc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,CID654099,NC(=O)CSc1nnc(-c2cccnc2)n1CCc1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID2062383,CCOC(=O)N1CCN(C(=O)COc2ccccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID714341,CN(CCc1ccccn1)C(=S)Nc1ccc(Cl)cc1Cl
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID3239055,O=C(Nc1nsc(-c2ccccc2)n1)c1ccncc1
+,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,,CID649855,O=C(Nc1cccc(-n2cnnn2)c1)c1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID789722,CSc1ccc(S(=O)(=O)NCc2ccccc2C)cc1
+,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,,CID666359,CCOc1ccc(-c2noc(-c3ccncc3)n2)cc1OCC
+,,,,,,,,,,,0.0,,,,,,CID1261872,Cc1cc(C)c2nc(-c3ccccn3)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)c2c1
+,0.0,,,,,,,,0.0,,,,0.0,,,,CID1521357,CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCCCC1
+0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,0.0,0.0,CID744275,Cc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1
+,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,CID975891,Cc1ccc(CNC(=O)CSc2ncccn2)cc1
+,0.0,0.0,,,,,0.0,,0.0,,,0.0,,,,,CID2999512,Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)NCc1ccco1
+,,,0.0,,,,,,,,,,,,0.0,,CID5307683,COc1ccc2c(c1)CCc1cc(C(=O)N3CCN(c4ccc(N5CCOCC5)nn4)CC3)sc1-2
+,,,,,,,,,,,0.0,,,0.0,,,CID942103,Cc1ccc(Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,0.0,,CID1302858,CC(C)(CO)NCc1ccccc1OCC(=O)Nc1ccccc1
+,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,0.0,,CID644686,COCCn1c(Cc2ccccc2)nnc1SCC(=O)NC(C)C
+0.0,0.0,,,,,,0.0,,,,,,,,,0.0,CID3244934,CCOc1ccccc1-n1cnc2cc(C(=O)NCc3ccco3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2395532,Cc1cc(NC(=O)c2cccs2)n(-c2ccccc2)n1
+,,,,,,,0.0,,,,,,,,,,CID659980,Cc1sc2c(=O)n3c(nc2c1C(=O)NCCCN1CCOCC1)CCCCC3
+,,,,,,,,,,,,0.0,,,,,CID936637,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1cc(Cl)ccc1Cl
+0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,CID3238997,O=C(Cn1cccc1C(=O)c1ccccc1)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID874584,CCOc1ccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])cc1
+,,,,,0.0,,,,,,,,,,,,CID2883568,Cc1ccc(N2CC(C(=O)Nc3ccc(C)c(C)c3)CC2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1330119,COc1ccccc1NC(=O)c1ccc2nc(N3C(=O)CCC3=O)sc2c1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID2088448,CCc1ccc2c(CN3CCc4ccccc43)cc(=O)oc2c1
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID2997954,C=CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID648940,CC1CCCN(C(=O)CSc2nnc3n(C4CCCC4)c(=O)c4ccccc4n23)C1
+,,,,,,,,,,,0.0,,,,,,CID2129759,O=C(Cc1coc2ccc3ccccc3c12)Nc1nccs1
+,,,,,,,,,0.0,,,,,,,,CID750014,CC(C)C1C(C#N)=C(N)SC(N)=C1C#N
+0.0,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,CID3243623,CC(C)(C)c1ccc(C(=O)NCCC(=O)NCc2ccco2)cc1
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID3240549,CC1(C)CC(=O)c2cc(C(=O)NC3CCSC3=O)c(=O)n(-c3ccccc3)c2C1
+,0.0,,0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,CID654596,O=c1oc2ccccc2cc1-c1cn2cccnc2n1
+,,0.0,,,,,,,,,,,,,,,CID3242076,CCOC(=O)N1CCN(C(=O)CCc2c(C)nc3nc(C)nn3c2C)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID1312358,CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCC2=CCCCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID663551,Cc1ccc(SCc2[nH]nc3c2C2(C(=O)N(C)c4ccccc42)C(C#N)=C(N)O3)cc1
+,,,,,,,,,,,,0.0,,,,,CID5310227,CCCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2c(=O)n(C)c(=O)n(C)c2n1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID655452,Fc1ccccc1Cn1nnc2c(NCc3ccccn3)ncnc21
+0.0,,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID1898855,CCCCCn1c(O)c(C(=O)Nc2ccncc2)c(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2038079,COc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc2ccccc2c1Br
+,,,,,,,,,,,,,,0.0,,,CID248673,O=c1[nH]ncc(N2CCCCC2)c1Cl
+,,,,,,,,0.0,,,,,,,,,CID2167058,O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCc2ccccc21
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID1736142,NC(=O)CCCCC(=O)OCCCc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID833270,C/C(=N\NC(=O)c1cc(C)[nH]n1)C(C)(C)C
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID2145342,COc1cccc2c(=O)n(CC(=O)N3CCCCCC3)ccc12
+,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,CID3240950,COc1ccccc1C(=O)Nn1cnc2ccccc2c1=O
+,,,,,0.0,,,,,,0.0,0.0,,,,0.0,CID3241763,CC1(C)CC(=O)c2cc(OCC(=O)NCCN3CCCc4ccccc43)ccc2O1
+0.0,,,,,,,0.0,,,,0.0,0.0,,0.0,,,CID779278,O=C(c1oc2ccccc2c1N1CCCCC1)N1CCCCC1
+,,,0.0,,,,,,0.0,,0.0,0.0,,,,0.0,CID2922157,O=C1NC2(Nc3ccccc31)C(=O)Nc1ccccc12
+,,,,,,0.0,,0.0,,,,0.0,,,0.0,,CID653090,O=C1CCCC2=C1C(c1ccccc1O)C1=C(CCCC1=O)O2
+,,,,,,,,,0.0,,,,,,,0.0,CID658674,COC(=O)c1ccc(Cn2nnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)o1
+,,,,,,,,,,,,,0.0,,,,CID2122236,Cc1cc(Cl)ccc1OCCCC(=O)NCc1cccs1
+,,,,,,,,,0.0,,,,,,,,CID5400841,CCOC(=O)CC1=CS/C(=C(\N=O)C(N)=O)N1
+,,,,,,,,,,,,,0.0,,,,CID1477694,CC(=O)c1cnc(SCC(=O)O)nc1C
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,,CID768447,Cc1ccc(CN(C)CCc2ccccn2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID2173523,COc1ccc(CN2CCN(c3ccccc3F)CC2)c(OC)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID824168,Cn1cc(/C=N/NC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc21
+,,,,,0.0,,,,0.0,,,,,,,,CID645016,COCCCNC(=O)c1c(-c2ccccc2)noc1C
+,,,0.0,,,,,,,,,,,,,,CID650820,CCNc1nc(NC(C)(C)C)nc(N(CC)n2cnnc2)n1
+,,,,,,,,,,,,,,0.0,,,CID372265,COc1ccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID989263,Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,0.0,0.0,,,,,,,,,CID776160,Cc1ccc(O)c(C(=O)CC(=O)c2cccc(F)c2)c1
+,0.0,,,,0.0,,,,,,,,,,,,CID3236511,Cc1c2c(nc3c(C(=O)NC4CCCCC4C)cnn13)CCCC2
+,0.0,,,,,,,,,,,,,0.0,0.0,0.0,CID650990,CCc1nnc(NC(=O)CSc2nnnn2-c2cccc(C(=O)OC)c2)s1
+,,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID2219848,O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc2c(c1)OCO2
+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID3237196,CC1CCc2c(C(=O)NCCCN3CCOCC3)csc2C1
+,,,,,,,,,,,0.0,,,,,,CID1464336,O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1C1CCCC1)C1CCCC1)OCCO3
+,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,CID801220,COc1ccc(C)cc1S(=O)(=O)NC1CCCCC1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID3240956,O=C(Cn1ccc2ccccc2c1=O)NCCC(=O)NC1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,0.0,,CID3242834,CCOc1nc(Nc2ccc(-c3nc4ccccc4o3)cc2)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID7358249,CN(C)/C=C1/C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2164027,CCCCOCCCNC(=O)c1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID5455800,O=C(CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O)N1CCOCC1
+0.0,,,,,,,,1.0,,,,,,,,0.0,CID2237247,O=C(c1cc2ncc(Br)cn2n1)N1CCN(C(=O)c2ccco2)CC1
+,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,,,CID1288870,c1ccc(-c2csc3nnc(SCc4ccc5c(c4)OCCO5)n23)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2192212,COc1cc(N2CCCC2)c(OC)cc1/C=C(/C#N)c1ccc(Br)cc1
+,,,,,,0.0,,,0.0,,,,0.0,,,,CID666199,Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2Cc2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID4199451,CCCCN(CC)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID659500,O=C1c2cccc3cccc(c23)C(=O)N1c1nncs1
+0.0,0.0,,,,,,,,,,,,,,,,CID657613,Cn1c(OCc2cccnc2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C
+,,0.0,,,0.0,0.0,,,,,,,,,0.0,,CID5389496,CCOc1ccccc1N1C(=O)NC(=O)/C(=C\NCc2ccc3c(c2)OCO3)C1=O
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID2997904,O=C(COC(=O)C1(c2ccccc2F)CCCC1)NC1CCS(=O)(=O)C1
+0.0,,,,,,,,0.0,,,,,,,,,CID658043,COC(=O)CN(c1nc(C)c(Cl)c(OC)n1)S(=O)(=O)c1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,0.0,CID3235606,O=C1NCCN1Cc1cccc(Cl)c1
+0.0,,,,,,,,,,0.0,0.0,,,0.0,0.0,0.0,CID647736,Cc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)o1
+0.0,,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,CID653290,COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID2980718,Cc1cc(C)cc(OC(=O)N2CCOCC2)c1
+,,,,,,,,0.0,,,,,,,,,CID2877791,Cc1ccc(C2(CC(=O)O)CCOC(C)(C)C2)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID648926,Cc1ccc(-n2ncc(-c3nnc(SCC(=O)NC4CCCC4)o3)c2N)cc1C
+0.0,,,0.0,,,0.0,,,,0.0,,,,,0.0,,CID665543,Cc1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1
+,,,,0.0,,,,,,0.0,0.0,,,,,,CID3239273,COc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cccc5nsnc45)CC3)sc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID745258,CN(C)c1ccc(/C=C2/NC(=O)NC2=O)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,CID935434,CCCc1cc(=O)n2[nH]c(Cc3ccccc3)nc2n1
+,0.0,,,,,,,,0.0,0.0,,,0.0,,,,CID3246756,CSc1nnc2c(n1)OC=Nc1ccccc1-2
+,,,,,,0.0,,,,,,,,,,,CID4184652,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1cc(C)ccc1C
+,,,,,,0.0,,,,,,,,,,,CID2979972,Cn1c(=O)oc2cc(S(=O)(=O)Nc3cccc(F)c3)ccc21
+0.0,,,0.0,,,,,0.0,0.0,0.0,,,,,,,CID868676,Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1
+,,,,,,,,,,,,,0.0,,,,CID2459437,CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1
+,,0.0,0.0,,,,,,0.0,,,,,,0.0,,CID976532,Cc1cc(NC(=O)CCOc2ccccc2)no1
+,,0.0,,,0.0,,,,,,,,,,,,CID5771429,COC(=O)C1=NC2=NC(C)=C(C(=O)OC3CCCCC3)C(c3cc(OC)ccc3OC)N2N1
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2547867,Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID3132099,CCC(Sc1nccn1C)C(=O)Nc1cccc2ccccc12
+,,,,,,,,,,,,0.0,,0.0,,,CID12856,c1ccc(-c2nc3ccccc3s2)nc1
+,,,,,,,,0.0,,,,,,,,,CID650225,CCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N
+,,,,,,,,,,,0.0,,,,,,CID3427519,COC(=O)N/N=C(\C)c1ccccc1Br
+,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,CID2124166,CCN(C(=O)CSc1nncs1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID781328,O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2621002,CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3s2)sc(C(C)=O)c1C
+,,,,,,,,0.0,,,,,,,,,CID1906206,COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2264137,COc1ccccc1OCCSc1nc2ccc([N+](=O)[O-])cc2s1
+,,,0.0,0.0,0.0,,0.0,,,,,,,,0.0,0.0,CID2998039,CN1CCN(S(=O)(=O)c2cccc(C(=O)NC3CCCc4ccccc43)c2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID257906,COc1ccc(OC)c(C(=O)c2ccccc2)c1
+,,,,0.0,,,,,,,,,,,,,CID645671,CCOC(=O)c1cccc(S(=O)(=O)N(CCO)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)c1
+,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,CID655646,Cc1cccc(OCc2nc(C#N)c(NCc3ccc4c(c3)OCO4)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID902033,Cc1cnc2sc(=S)n(-c3ccccn3)c2c1
+,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,,CID1366631,O=C1c2ccccc2C(=O)N1CCCc1nc2ccccc2c(=O)n1Cc1ccco1
+,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,,0.0,CID659508,O=C(c1ccccc1)n1c(=S)nc2ccccn21
+,,,,,,,,0.0,,,,,,0.0,,,CID738842,Cc1nc2ccccc2n1C(=O)N1CCOCC1
+,,,,,0.0,,,,,,,,,0.0,,,CID5308474,Cc1ccc(-c2c(C(=O)N3CCOCC3)oc(=O)c3ccccc23)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID1528681,C=CCN1/C(=N/c2ccccc2)SC/C1=C\C(=O)OC
+,,,,,,,,,,,,,0.0,,,,CID2285426,COc1ccc(C=O)cc1OS(=O)(=O)c1ccc(NC(C)=O)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID2859888,CCOC(=O)c1ccc2c(c1)C1C=CCC1C(C(=O)O)N2
+,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,,CID2969670,COc1ccccc1NC(=O)CSC1CC(=O)N(c2ccc3c(c2)OCO3)C1=O
+,0.0,,,,,,,,,,,,,,,,CID663613,CN(C)c1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1
+,0.0,,0.0,,,,,,,,,,,,,,CID719453,CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2898081,O=C(c1ccccc1)N1CCN(C2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID1479958,O=C(ON=C1CCN(S(=O)(=O)c2ccccc2)CC1)c1ccc(Cl)cc1
+0.0,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,CID649924,O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC(O)(c2ccc3c(c2)OCO3)CC1
+,,,,,0.0,,,,,,,,,,,,CID1355735,O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID3236942,Cc1cccc(CN2CCNC2=O)c1
+,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID652018,Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,CID665970,Cc1nnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)s1
+0.0,,,,,,,,,,,,,,,0.0,,CID986827,Cc1cccc(Cn2c(SCCN3CCCCC3)nc3c2c(=O)[nH]c(=O)n3C)c1
+,0.0,,,,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,CID977774,Cc1ccc(S(=O)(=O)CCc2ccccn2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3237478,O=C(NCC(=O)N1CCCC1C(=O)O)OC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID3132854,CCCN1C(=O)C(Cc2nc3ccccc3c(=O)n2C)c2ccccc21
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID5307613,CCCN(CCC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,,,,,,,,,,,,0.0,CID709462,Cc1[nH]c2ccc(F)cc2c(=O)c1SC(F)(F)C(F)F
+,,,,,,,,,,,,,0.0,,,,CID2896806,O=C(NCc1ccc(/C=c2\sc3n(c2=O)CCN=3)o1)C(=O)Nc1ccccc1
+,0.0,,,,,,,,0.0,,,0.0,,,0.0,,CID667040,Cn1c2ccccc2c2ncn(CCC3=CCCCC3)c(=O)c21
+,,,,,0.0,,,,,,,,,,,,CID5349573,COc1ccc(/C=C/C(=O)N2CCC(CN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1OC
+0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,,CID2997866,O=C(CCCSc1nnc(-c2cccs2)n1CC1CCCO1)c1ccccc1
+0.0,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID652136,COc1ccc2cc(CN(C(=O)Nc3ccccc3OC)C3CCCC3)c(=O)[nH]c2c1
+,,,,,,0.0,,,,,,,,0.0,,,CID1246773,CCOC(=O)c1cc(NC(=O)c2c(C)noc2C)cc(C(=O)OCC)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID2982275,O=C(c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1)N1CCCC1
+0.0,,,,,,,,,,,,,,,0.0,,CID4356771,CCCCn1c(CNC(=O)c2cccs2)nc2ccccc21
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID1208343,Cc1oc2ccc(O)c(CN3CCOCC3)c2c1C(=O)c1ccc(Cl)cc1
+,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID645778,Cn1c(SCC(=O)NC2CCCC2)nc2cccnc21
+,,,,0.0,,,,,,,,,,,,,CID2151298,C#CCn1/c(=N/C(=O)c2cccs2)sc2cccc(OC)c21
+,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID2161565,Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2)n1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2834002,CSc1nc(-c2ccccc2)nc(N)c1C(C)=O
+0.0,,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,CID1250533,CCCn1cnc2cc(NCc3cccc(OC)c3)ccc21
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,CID807069,Cc1cc(-c2ccccc2)c2c3c(cn2n1)c(=O)n(C)c(=O)n3C
+,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,CID2531589,O=C(OCc1cccc2ccccc12)c1ccc2c(=O)nc(CN3CCOCC3)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID789864,COc1cccc(-c2nc(-c3ccccn3)no2)c1
+,,,,,0.0,,,,,,,,,,,,CID3223889,Cc1cc2nc(C3CCCN(C(=S)Nc4ccccc4)C3)[nH]c2cc1C
+,,,,,,,0.0,,,,,,,,,0.0,CID651854,CCCCCCOc1ccc(C(CC(=O)O)C(N)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2812440,Cc1ccc(-n2nnnc2-c2cnc3ccc(Cl)cc3c2-c2ccccc2)cc1
+0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,CID2302300,CCc1nc2ccc(C(=O)NCc3ccco3)cc2nc1CC
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0,CID658373,CCCNC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID645413,Cc1cc(C(F)F)n2nc(C(=O)Nc3ccccc3Br)nc2n1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID1242993,COc1ccc(C(=O)Nc2nc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1152904,O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID650290,CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2C(C)(C)C)CC1
+,,,,,0.0,,,,,,,,,,,,CID718526,Cc1cccc(C)c1OCC(=O)Nc1ccccc1
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID2910252,COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2cc(OC)ccc2OC)c1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,,,CID745131,Cc1cc(-n2ccc(=O)[nH]c2=O)nc(-c2ccccc2)n1
+,,,,,,,,,,0.0,,,,,,,CID6737843,O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,CID654657,O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)N1CCOCC1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID1305064,CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID5308233,CCOc1ccc(NC2CCN(C(C)=O)CC2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID5310514,Cn1c(=O)c2c(SC3CCCC3)nc(C3CC3)nc2n(C)c1=O
+,,,,,0.0,,,,,,,0.0,,,,,CID2211672,CC(=O)c1cccc(NC(=O)Nc2cnn(Cc3ccc(F)cc3)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID1081531,O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(O)cc1
+,,,0.0,,,0.0,,,0.0,,,,,0.0,,,CID719350,O=C(Nc1ccccc1F)c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID2235302,C=CCNC(=S)NC(=O)c1ccc(C)c(Br)c1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID3241576,CCc1ccc(NC(=O)N(C2CCC(C)CC2)C2CCN(C(C)=O)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID383573,CCOC(=O)NC(Nc1ncccn1)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,0.0,,,,,,,CID702613,O=C(O)c1cccc(NS(=O)(=O)c2cccc3nsnc23)c1
+0.0,,0.0,0.0,,,0.0,,,,,,,,,,,CID2163470,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nn[nH]n1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID3246749,CC(NC(=O)c1ccccc1)C(=O)NC1=NCCS1
+,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,CID3245893,CS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
+,,,,,,,,,,,,,0.0,,,,CID2282416,COc1ccc(CCNC(=O)CN(c2ccccc2)S(C)(=O)=O)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID654321,O=C(NCCSCc1c(F)cccc1Cl)c1ccco1
+,,,,,,,,0.0,,,,,,,0.0,,CID2982085,O=c1[nH]c(=O)n(C2CCCO2)cc1Br
+0.0,,0.0,0.0,0.0,,,,,,0.0,,,,0.0,,0.0,CID1528113,Cc1ccc2cccc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)c2n1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID667210,O=C(NCCN1CCOCC1)c1cc2c(=O)n3ccccc3nc2n1Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,0.0,CID3243188,Cn1c(=O)[nH]c(=O)c2c1nc(CN1CCN(c3ccccc3F)CC1)n2CCCc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID2838546,CCOC(=O)C1CCCN(Cc2ccc3c(c2)OCO3)C1
+,,,,,0.0,,,,,,,,,,,,CID2246824,O=C(Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1)c1ccccc1
+,,,,,0.0,,,0.0,,,,,,0.0,,,CID2323541,COCCNC(=O)COc1ccc(Oc2ccccc2)cc1
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID3242573,COc1ccccc1CNC(=O)CCCN1C(=O)COc2ccc(C)cc21
+,,,,0.0,0.0,0.0,0.0,,,,,,,,,,CID3240454,O=C(CSc1nc2ccccc2c(=O)n1NC(=O)Cc1ccccc1)NCc1ccco1
+0.0,,,,,,,,,,0.0,,,,,,,CID666966,Cc1ccc(-c2nn(CC(=O)Nc3ccc4c(c3)nc3n4CCOC3)c(=O)c3ccccc23)cc1
+,,,,,,,,,,,,,,,,0.0,CID2965829,CC(C)OC(=O)c1ccc(NC(=O)C2C3CC4OC(=O)C2C4C3)cc1
+,,,,,0.0,,,,,,,,,,,,CID1120123,COc1ccc(-c2nn(-c3ccccc3)c(N)c2-c2ccccc2)cc1OC
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID3238913,Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccccc3Cl)c2N)c1
+,,,0.0,,,,,,,0.0,,,,,,,CID658073,C=CCNc1nc2c3ccccc3n(C(C)=O)c2s1
+0.0,,,0.0,,,,,,,,,0.0,,0.0,,,CID5308540,O=C(Cn1cc2c(n1)CCCCC2)NC1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID3540339,Cc1nnc(NC(=O)C(C)Sc2nncn2C)s1
+,,,,,,,,,,,,,,,,0.0,CID3244768,CCOC(=O)C1(C(F)(F)F)N=C(N(C)C)OC(N(C)C)=N1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,CID1728994,CN(c1ccc(C(=O)NCCSCc2ccco2)cc1)S(C)(=O)=O
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID4122067,CCOC(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,,CID664184,Cc1nnc(NC(=O)CCC(=O)NCc2ccco2)s1
+0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,0.0,CID3240697,O=C(NC(NC1CCS(=O)(=O)C1)C(=O)c1ccccc1)c1ccc(Cl)cc1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID2352084,O=C(COC(=O)c1ccncc1)NCc1ccccc1
+,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,CID740861,COC(=O)C1=C(C)N(CCc2ccc(OC)cc2)C(=O)C1
+,,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID646374,CC(=O)OC(C(=O)NC1CCCCC1)c1ccncc1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID2831224,O=C(NCc1ccco1)C12CC3CC(CC(C3)C1)C2
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID650495,O=C(O)CNC(=O)c1ccccc1NC(=O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1234186,Cc1nc2ccccn2c1C(=O)NNC(=S)Nc1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3236795,O=C(CCCn1c(=S)[nH]c2ccc(Br)cc2c1=O)N1CCN(c2ccccn2)CC1
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,,CID5085871,O=C(C1CC1)N1CCN=C1SCc1ccccc1Cl
+,0.0,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0,CID664985,CN(C)c1cccc2c(S(=O)(=O)Nc3ccccn3)cccc12
+,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,CID2980971,Cc1cccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C(C)C)n2)c1
+,,,,,,,,0.0,,,,,,,,,CID2300324,Cc1ccc(C(=O)COC(=O)CCC(=O)NC2CCCCC2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID1905383,COc1ccc(OC)c(/C=N/c2ccccc2-c2nc3ccccc3[nH]2)c1
+,,,,,,,,,,,,,0.0,,,,CID795120,O=C(Cc1ccccc1)N/N=C/c1ccc(Cl)cc1Cl
+,,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,,CID2308189,Cc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2927408,CC1(C)C(=O)OC(c2cccc([N+](=O)[O-])c2)C2(CCCCC2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1893230,O=C(NCCO)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1
+,,,,,,,,,0.0,0.0,,,,,,,CID1094099,CCC(CC)c1nnc(NC(=O)CS(=O)(=O)Cc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID2978079,CS(=O)(=O)N(CC(=O)Nc1ccc(CC#N)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID928003,O=C(Cc1ccc2cccnc2c1)c1ccc(O)cc1O
+,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,,CID650587,Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)C3CCCO3)s2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3154605,COC(=O)C1C2C=CC3(CN(c4cccc(Cl)c4)C(=O)C13)O2
+,,,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,CID2086396,COc1ccc(C)cc1-n1c(SCC(=O)Nc2cc(C)on2)nc2sc(C)c(C)c2c1=O
+,,,,0.0,,,,,,,,,,,,0.0,CID3241695,O=C(CCCn1c(SCC(=O)NC2CCCC2)nc2ccccc2c1=O)NCC1CCCO1
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID3239073,CCS(=O)(=O)N1CCC(C(=O)NCc2ccccc2OC)CC1
+,,,,,0.0,,,,,,,,,,,,CID788065,Clc1ccc(CSc2nccn2Cc2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3245932,CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3ccsc3n2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID279843,CCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID2134349,COc1ccc(C)cc1NC(=O)c1nnn(Cc2cccc(F)c2)c1N
+,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,,0.0,0.0,CID969735,O=C(Nc1ccon1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2829506,Cc1cccc(C)c1-n1nnnc1C1(Nc2ccccc2)CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2238361,Cc1ccccc1NC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID648656,Cc1ccc(-c2csc(N(CC3CCCO3)C(=O)c3ccco3)n2)cc1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID651723,CCCc1cc(N2CCCC(C(=O)Nc3ccc(OC)cc3OC)C2)n2ncnc2n1
+,,0.0,0.0,,,,,,0.0,0.0,,0.0,,,,,CID2915918,COC(=O)C(CC(C)C)NC(=O)c1ccc(F)cc1
+,,,,,,,,,,,,,,,0.0,,CID869390,CCOC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1417095,CCNC(=S)N/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID665923,COc1ccc(N2CCN(Cc3cc(=O)oc4ccc(Cl)cc34)CC2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID820004,S=c1nc(-c2ccccc2Br)[nH][nH]1
+,,,,0.0,,,,,,,,0.0,0.0,,,,CID653946,Cc1ccc(S(=O)(=O)N2CCCC(C(=O)NC3=NCCS3)C2)cc1
+,0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0,CID2961963,CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)on2)=C(C#N)C1c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID1586076,CCCOC(=O)Nc1cccc(C(C)=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1866093,CC(/C=N/N1CCN(c2ccccc2)CC1)=C\c1ccco1
+,,,0.0,,,,,,,,,,,,0.0,,CID1325582,COc1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C(=O)O
+,0.0,,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,CID1815824,COc1ccccc1OCCSc1nnc(C)n1-c1ccccc1
+,0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID644646,COCCCNC(=O)c1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID3833967,CCOC(=O)c1sc2nc3c(cc2c1N)COC(C(C)C)C3
+,,,,,,,,,,,,,,,0.0,,CID5308179,COc1ccc(C2CC(c3ccc(Cl)c(Cl)c3)N=C3N=C(N)NN32)cc1
+,,,,,0.0,,,,,,,,,,,,CID5433618,CSc1nc(=O)c(-c2ccccc2N/C=C2\C(=O)N(c3ccccc3)N=C2C)n[nH]1
+,,,,,,,,0.0,,,,,,,,0.0,CID2566262,Nn1c(COc2cccc(Br)c2)nnc1SCC(=O)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID2338236,COc1cc(CCC(=O)OCC(=O)Nc2ccccc2C#N)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID832300,Cc1ccnc(NC(=O)COc2c(C)cc(C)cc2[N+](=O)[O-])c1
+,,,,,,,,0.0,0.0,,,,,,,,CID753598,Cc1ccc(NC(=O)Nc2sc(=S)n(C)c2C)cc1
+,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0,CID3239514,COC(=O)c1ccc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1
+,,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,CID3241775,COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2998550,CCOC(=O)c1[nH]c(COC(=O)c2ccccc2NC(=O)c2ccco2)c(C(=O)OCC)c1C
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID2998002,Cn1c(SCc2cc(=O)n3cc(Br)ccc3n2)nnc1C1COc2ccccc2O1
+,,,,,,,,,,,,,0.0,0.0,,,CID4415633,CSC1=NCCN1C(=O)Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID5864398,COc1ccc(C2/C(=C(\O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2Cc2ccco2)c(OC)c1
+,,,,,,,0.0,,,0.0,,,,,0.0,,CID5308907,Cc1ccccc1C1CC(c2ccccc2)N=C2N=CNN21
+0.0,,,,0.0,,,,,,,,,,,,,CID3245370,O=C(CSc1ccc2nnc(-c3ccc(F)cc3)n2n1)NCC1CCCO1
+0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID2080570,Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1C
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID662597,CCn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cnccn1
+,,,,,0.0,,,,,0.0,,,,,,,CID40122,CCOC(=O)c1c(-c2ccccc2)oc2ccc(O)c(CN(C)C)c12
+,,,,,0.0,,,,,,0.0,,,,,,CID2951126,CN1CCN(C(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)CC1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID2392339,N#Cc1c(N)oc(-c2cccs2)c1-c1cccs1
+,,,,,,0.0,,,,,,,,,,,CID759286,Nc1cc(C(=O)c2cccs2)ccc1Cl
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID2998213,Cc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c(C)noc3C)c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID880042,CCOC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc12
+,,,,,,,,,,,0.0,0.0,,,,,CID270782,N#C/N=C(\N)c1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID621392,O=c1c2c3c(sc2nc2n1CCCCC2)CCC3
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID3245793,COc1ccc(N2CCN(CCCNC(=O)Nc3ccccc3C)CC2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID3243145,N#CC1=C(NCCc2ccccc2)C(=O)NCCC1
+0.0,0.0,,,,,,0.0,,,0.0,,,,,,,CID3244219,Cc1ccc(-c2noc(CCC(=O)Nc3ccc4c(c3)OCO4)n2)cc1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID2999945,CC(Sc1nc2ccccc2c(=O)n1Cc1ccco1)C(=O)c1ccccc1
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+,,0.0,,,,0.0,,0.0,,,,0.0,,,,,CID2999308,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COC(=O)c1cc(C)oc1C
+,0.0,,,,,,,,,,,,,,,,CID4522106,CC1CCCCN1S(=O)(=O)c1cccc2cccnc12
+,,,,,0.0,,,,,,,,,0.0,,,CID1490966,O=S1(=O)C=C(SCc2cccc(Cl)c2)Nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4685085,Cc1ccc(S(=O)(=O)Cc2c(C)noc2C)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID666304,CC(=O)C(C)Oc1cc(C)cc2oc(=O)c(C)c(C)c12
+,,0.0,,,,,,,,,,,,0.0,,0.0,CID3240218,CC(C(=O)N1CCCCC1)n1ncn2cccc2c1=O
+,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,0.0,CID716696,COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5309755,CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)CC1
+,,,,,,0.0,,,,,,,,,,,CID2113888,O=C(O)c1cc2c(s1)-c1ccccc1OC2
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID657572,COCc1[nH]nc2c1C(c1ccc(OC)cc1)C(C#N)=C(N)O2
+,,,,,,,,,,0.0,,,,,,,CID763786,Cc1ccc(N2CN=C(c3ccccc3)NC2=S)cc1
+0.0,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,CID645496,Cc1cc(C)c(C#N)c(SCC(=O)N(C)C2CCCCC2)n1
+,,,0.0,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,CID2531502,Cc1ccc(NC(=O)COc2nc(C)cs2)cc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID3238062,CCC(C)N(C)Cc1cccc(C2(O)CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2173119,O=C(/C=C\c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID2225057,O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N1CCCCC1
+,,,,,,,,,0.0,,0.0,,,,,,CID2283169,C=CCc1ccc(OCCCOc2ccc(C)cc2OC)c(OC)c1
+0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,CID660314,CCOCCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,0.0,,,,0.0,,,,,,CID2960983,Cc1ccc(N2CC(C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1
+,,,,0.0,,,0.0,,,,,,0.0,,,0.0,CID651605,CCc1cc2cc(C)ccc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1563678,CCCOC(=O)c1cccc(Nc2nc(-c3cccnc3)nc3ccccc23)c1
+0.0,,0.0,,,,,,,0.0,,,0.0,0.0,,,,CID718532,Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5322221,CC(C)CN(Cc1c(O)ccc2c3c(c(=O)oc12)CCC3)CC(C)C
+,,,0.0,,,,,,,,0.0,,,,,,CID653313,O=C(NCc1ccc(F)cc1)C1CCCN1C(=O)NCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3180044,CCCCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1
+0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,CID3240241,N#CCCSc1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1002524,O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID2048744,O=c1cc(NC2CCCCC2)c2ccccc2o1
+,,,,,,,,,,,0.0,,,,,,CID846330,COc1ccc(CC(=O)NNC(=O)c2ccoc2C)cc1OC
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID2538696,Cc1cc(C)n(CCCNC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)n1
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID1522381,C=CCn1c(SCc2ccc(C(=O)OC)cc2)nnc1-c1sc(N)nc1C
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID1292272,Cc1ccc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)N2CCCC2)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID3236358,Cc1ccc(Cn2c(CN3CC(C)OC(C)C3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1470715,COc1cnc(-c2ccccn2)nc1NC(C)C
+,,,,,,,,,,,,,,0.0,,,CID1235386,O=C(Cc1noc2ccccc12)Nc1ccccn1
+,,,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,0.0,CID667059,COc1ccccc1OCCn1c(CO)nc2ccccc21
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2960929,C=CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1C(O)c1ccccc1
+,,,0.0,,,0.0,,,,0.0,,,0.0,,,,CID665392,CC(=O)c1c(COC(=O)c2cccnc2)nc2ccccc2[n+]1[O-]
+,,,,,,,,,,0.0,,,,,,,CID3749824,Brc1ccc(Sc2cnc3ccccc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID842309,Cc1nn(C)cc1/C=N/NC(=O)c1csc2ccccc12
+0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,,CID653032,CCOCCn1c(N2CCN(c3ccc(OC)cc3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,0.0,,,,,0.0,,,,,,0.0,,,CID734456,CCOC(=O)c1cccc(Nc2nc(C)cc(C)n2)c1
+,,,,,,,,0.0,,,,,,,,,CID3357402,CC(C)c1ccc(C2C3CSCC=C3C(C#N)=C(N)C2(C#N)C#N)cc1
+,,,,,,,,,,,,,0.0,,,,CID686993,Cc1ccc(NC(=O)/C(Cl)=C/c2ccccc2)cc1C
+0.0,,0.0,,,,0.0,0.0,,,,,,,,,,CID644531,Cc1cccc(C)c1NC(=O)N1CCC(c2nc3ccccc3o2)CC1
+,0.0,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,CID786671,Cc1nc2scc(-c3ccccc3)c2c(=O)o1
+,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,CID795681,Cc1ccc(C)n1-c1ccc(-n2cnnn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1247282,O=[N+]([O-])c1cc(/C=N/c2ccc3ccccc3c2)ccc1Br
+,,,,,,,,,,,,,,0.0,,,CID3263719,O=C(N/N=C/c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1
+,0.0,0.0,,,,,,,,,,,,,,,CID665420,Cc1cccc(OCC(O)Cn2c(NCc3cccnc3)nc3c2c(=O)[nH]c(=O)n3C)c1
+0.0,,,,,,,,,,,,,,,,,CID5308950,Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1Br
+,,,,,,,,0.0,,,,,,,0.0,,CID1246977,COC(=O)c1c(NC(=O)c2ccc(Br)s2)sc2c1CCC2
+,,,,,,,,,,,,,,0.0,,,CID2886337,CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID2338541,NC1=C(c2nc3ccccc3s2)C(=O)CN1CCCO
+,0.0,,,,,0.0,,,,,,0.0,,0.0,0.0,,CID652153,N#CCSc1nc2c(c(C3CC=CCC3)c1C#N)CCC2
+,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,0.0,CID648871,Cn1c(=O)c2c(nc(SCC(=O)OCc3ccccc3)n2C)n(C)c1=O
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID868012,Cc1ccc(OCC(=O)N2CCN(C)CC2)c(Br)c1
+,,,,,,,0.0,,,,0.0,0.0,,,0.0,,CID1071278,COC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,CID2833465,O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccncc1
+0.0,0.0,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID2912676,c1ccc2c(c1)OCC(c1csc3ncnc(N4CCOCC4)c13)O2
+,,,,,,,,,,,,0.0,,,,,CID650143,CNC(=O)C1C2C=CC3(O2)C1C(=O)N(CCOC)C3C(=O)NCc1ccc(OC)cc1
+0.0,,,0.0,,0.0,,,,,0.0,,,,,0.0,0.0,CID3244779,CCc1ccc(-c2nc(CSCC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID1368835,COC(=O)c1cc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(C(=O)OC)c1
+,,0.0,,,,,,,,,,,,0.0,0.0,,CID644767,CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C2CCCCC2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1288753,CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccc(Br)cc3)c(C)s2)c1C
+,,,0.0,,,,,,,,0.0,,,,,,CID601625,O=C(O)C12CC3CC(C1)CC(n1cnc(Cl)n1)(C3)C2
+,0.0,,,,,,,0.0,,,0.0,,,0.0,,0.0,CID665748,COc1ccc(N2CCN(Cc3cc(=O)oc4ccc5ccccc5c34)CC2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID5307783,COc1ccc(NC2c3ccccc3C(=O)N2c2cccnc2)cc1Cl
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID972947,Cc1c(C(=O)N2CCc3ccccc32)oc2c1C(=O)CC(C)(C)C2
+,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,CID2954878,CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCC(C(=O)OCC)CC2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID664143,CCCc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID3769234,Cc1cc(C)c(C#N)c(SCC2COc3ccccc3O2)n1
+,,,,,,,,,,,,,0.0,,,,CID2928973,O=S1(=O)C=C(Sc2nc3cc(Cl)ccc3o2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1330547,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccc(C)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID5291680,CC1(C)Cc2c(ccc3ccccc23)/C(=C/C#N)N1
+,,,,,,,,,0.0,,,,,,,,CID4070446,Cc1ccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2450867,Cc1ccccc1OCC(=O)OCC(=O)NCc1cccs1
+,,,0.0,,,0.0,,,,,,,,0.0,0.0,,CID667359,O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)Nc1cccnc1
+,,,0.0,,,,0.0,,,0.0,0.0,,,0.0,,0.0,CID777084,CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O
+,0.0,,,,,0.0,,,,,,,,0.0,0.0,0.0,CID2200267,Cc1ccc(S(=O)(=O)N(C)CCCC(=O)n2nc(C)cc2C)cc1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID5389742,COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccc(OC)cc2)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2297964,C=CCSC1=N/C(=C\c2sccc2C)C(=O)S1
+,,,,,,,,,,,,,,,,0.0,CID3237261,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)Nc2ccc(F)c(C)c2)C3C1=O
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID834328,COc1cccc(CNc2nn[nH]n2)c1OC
+,,0.0,0.0,,,,,,0.0,,,,,,0.0,,CID1591469,CCCCOC(=O)c1cccc(NC(=O)CC)c1
+,,,,,,,,,,,,,,0.0,,,CID3820091,CO/N=C/C(C(C)=O)C(=O)Nc1ccc(Cl)cc1Cl
+0.0,,,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,CID659772,CC1=C(C(=O)Nc2ccccc2)C(c2ccc(N(C)C)cc2)NC(=O)N1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID3240234,O=C(Nc1ccc(F)cc1)N1CCN(c2nc3ccccc3s2)CC1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3236962,COc1ccc(N2CCN(CCCNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1
+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID693631,O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1
+,,,,,,0.0,,,,,,,,,0.0,,CID657744,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccc(Cl)c3)C2C1
+,,,,,,,,,,,,,,0.0,,,CID2223214,O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1
+0.0,,,,,,,,,,,0.0,,,,,,CID2818344,C=CCC(NCc1ccccc1)c1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID2925767,Cc1ccc(C(=O)Oc2ccccc2N2C(=O)C3CCCCC3C2=O)cc1
+,0.0,,,0.0,,,0.0,0.0,,,,,,,,,CID2937371,CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCC3CCCO3)CC2)cc1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID3240329,CCOC(=O)N1CCC(NC(=O)c2cc3c(-c4ccc(OC)c(OC)c4)nn(C)c3s2)CC1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID665096,CCN(CC)C(=O)CSc1nc2ncc(Br)cc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID1021107,O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1ccccc1F
+0.0,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID3238034,Cc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)n1-c1ccc2c(c1)OCCO2
+,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,,,CID660972,O=C(O)c1cccc(CN2C(=O)SC(Nc3ccccc3)C2=O)c1
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,CID650498,CN1CCN(S(=O)(=O)c2ccc(-c3noc(C4CCN(S(C)(=O)=O)CC4)n3)cc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID2998623,Cc1cc(C(=O)CC#N)c(C)n1-c1ccc(OC(F)F)cc1
+,,,,,,0.0,,,,,,,,,,,CID5761858,C/C=C/CSc1nc2c(c(=O)[nH]c(=O)n2C)n1C(C)C
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID656207,CC(=O)Nc1cccc(OCC(O)Cn2cnc3ccccc32)c1
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+,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,,CID644716,Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)C(C(=O)NC2CCCC2)c2cccnc2)no1
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+,0.0,,,,,,,,,,,,,,,0.0,CID668645,CN(C)c1nc2c(c(=O)n(C)c(=O)n2C)n1CC(=O)c1cccs1
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+,0.0,,,,,,,,0.0,,,,,,,,CID2356201,CC(C)(Oc1ccc(Cl)cc1)C(=O)OCC(=O)N1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID4193839,Cc1cccc(C)c1Nc1c(-c2ccsc2)nc2ncccn12
+,,,,,,,,,,,,,0.0,,,,CID1015792,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2097068,CCc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1
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+,0.0,,,0.0,,,,,,,,,,0.0,0.0,0.0,CID658104,COC(=O)c1ccc(-c2sc3nc(N4CCOCC4)c4c(c3c2N)CCCC4)o1
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+,,,,,,,,,,,0.0,,,,,,CID3763044,Cn1c(NCC(O)CO)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C
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+,,,,,0.0,,,,,,,,,0.0,,,CID1764406,Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)cc1C
+,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,,CID2541236,CCN(CC(=O)NC(C)C)C(=O)CCNC(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID865623,CN(C)c1ccc(-c2nnc(-c3cccs3)o2)cc1
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+,,,0.0,,0.0,,,,,,,,,,,,CID4997638,O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1321754,CN(C)c1ccc(N2C(=O)CSC2=S)cc1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID659740,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2)CC1)CC3
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID3237516,CCS(=O)(=O)N1CCCC(C(=O)NCCCN2CCCC2=O)C1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID650476,Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N(C)C)cc2)ccc1-n1cnnn1
+,,,,,0.0,,,,,,0.0,,,,,,CID675226,c1ccc(-c2nc(NCc3cccnc3)c3ccccc3n2)cc1
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID1248644,Cc1ccc2c(CC(=O)NCc3ccco3)coc2c1C
+,,,,,,,0.0,,0.0,,,,,,,,CID589128,CC1(C)Cc2ccccc2C2CC(O)C(=O)N21
+0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID665720,Cc1[nH]n2c(=O)cc(C(C)(C)C)nc2c1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID3118791,Cc1ccc(S(=O)(=O)NNc2ccccc2)c(C)c1
+,,,,,,0.0,0.0,,,,,,0.0,0.0,,,CID674767,CCOC(=O)Cc1c(C)c2c(C)nn(-c3ccccc3)c2oc1=O
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID649955,c1ccc(Cn2nnnc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5768999,CCOc1cc(C2/C(=C(\O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)ccc1O
+,,0.0,,,,,,,,0.0,,,,,0.0,,CID2998095,Cc1nn(-c2ccccc2)c2c1C(c1cccnc1)N1C=C(S(=O)(=O)N3CCCCC3)C=CC1=N2
+,,,,,,,,,0.0,,,,,,,,CID3224826,CC(C)NC(=O)Cn1c(SCC(=O)c2ccc(F)cc2)nc2ccccc21
+,,,,0.0,,,,,,,,,,,,,CID1006732,O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccc(Br)s1
+,,,,,,,0.0,0.0,,,0.0,0.0,,,,0.0,CID654417,CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC
+,,,,,,,,,,,,,,0.0,,,CID2446079,CCNC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
+,,,,0.0,0.0,,,,,,,,,0.0,,,CID3383442,CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
+0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID3240479,COc1cccc(-c2nn(C)c3sc(C(=O)NCc4ccccn4)cc23)c1
+0.0,,,0.0,,,,,,,,,,,,,,CID2104885,CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(C(C)(C)C)cs1
+,,,,,,,,,,,,,,0.0,,,CID1648597,O=C(COC(=O)c1ccccc1Br)NCc1ccccc1
+,,0.0,,,,,,0.0,,,,,,,,,CID653051,Cc1ccc(OCC(=O)OC2CCS(=O)(=O)C2)cc1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID595568,COC(=O)C(F)(F)Sc1c(C)[nH]c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID16187170,C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)OC(OCCCCO)C2)cc1
+,,,0.0,,0.0,0.0,,,,,,,0.0,,,,CID2354711,CCOC(=O)c1c(N)sn(-c2ccccc2C)c1=S
+0.0,,,,,,,,,,,,,,,,0.0,CID2383579,NC(=O)CSc1nnc2sc3ccccc3n12
+,0.0,,,,0.0,,,,,,0.0,,,,0.0,,CID715061,O=C1NCCN1CCNS(=O)(=O)c1ccc2ccccc2c1
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID3236263,CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NCc2ccco2)c(=O)c2ccccc21
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID986954,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccco3)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID733258,Cc1ccc(CSCC(=O)Nc2ccc(F)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2437246,CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)n[nH]c2=O)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2058813,O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc2c(c1)OCCO2
+0.0,,,,,,,,,,,,,0.0,0.0,0.0,,CID660125,COc1ccccc1N1CCN(C(=O)c2ccccc2Oc2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID653432,O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID662199,Clc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Cl)c1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID941877,CCc1ccc(CCC(=O)Nc2ccc(C(C)=O)cc2)o1
+,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,CID654434,CC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccncc2)c1
+0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,CID2062917,Cc1nc(SCC(=O)N2CCOCC2)c2ccsc2n1
+,,,,,,,,,0.0,0.0,,,,,,,CID686649,Cc1ccccc1NC(=S)NN1CCN(C)CC1
+,,,,,,,,,,,,,0.0,,,,CID16190934,Cc1cc(Cl)ccc1C(=O)C1CCCN(C(=O)c2snnc2C)C1
+,,,0.0,,,,,,,,,,,,,,CID645425,CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1
+,0.0,,,0.0,,,,,,,,,,0.0,,,CID650332,CCC(=O)Nc1cccc(NC(=O)CSc2nnnn2C)c1
+,,,,,,,,,,0.0,,,,,,,CID9550697,CCC(C)NC(=O)c1csc2c1CCCCC2
+,0.0,,,,,,0.0,,,0.0,0.0,,,,,,CID1264791,CC(C)(C)NC(=O)Nc1ccccc1C(N)=O
+,,,,,,,,,,,,0.0,,,0.0,,CID648478,C=CCN1C(=O)C2C(C(=O)NCc3ccccc3)C3(C)C=CC2(O3)C1C(=O)NC(C)(C)C
+,,,,,,,,0.0,,,,,,0.0,,0.0,CID935464,CCNS(=O)(=O)c1cc(Br)ccc1OC
+,,,,0.0,,0.0,,,,,,,,,,,CID1296592,Cn1c(=O)c2c(nc(SCC(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)n2C)n(C)c1=O
+,,,,,,,0.0,,,,,0.0,,,,,CID665071,CC(=O)c1c(COC(=O)c2ccco2)nc2ccccc2[n+]1[O-]
+,,,,,,,,,,,,,,0.0,,,CID740893,CC(=O)N(c1ccc(Cl)cc1)c1nc(C)cc(C)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID4983290,CC1CCC2C(=O)N(c3ccccc3OC(=O)c3ccccc3)C(=O)C2C1
+,,,,,,,0.0,,,,0.0,,,0.0,,,CID2221136,O=C1NC(=O)C(CCc2ccncc2)(c2ccccc2)C(=O)N1
+,,,,,,,,,,,,,,0.0,,,CID2088239,O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)NC(=O)NC1CCCCC1
+,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,CID2233577,CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)cc2C)CC1
+0.0,,0.0,,,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,CID665147,CCCCN(Cc1cc2cc(OC)ccc2[nH]c1=O)C(=O)COc1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID647093,CCCC(=O)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID5309702,Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCCCCC4)c3c2c1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID5309329,Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCC(C)CC1
+,,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID3242636,NC(=O)C1(N2CCCCC2)CCN(C(=O)NC2CCCCC2)CC1
+,,,,,,0.0,0.0,,,,,,,,,,CID665738,CC(C)c1ccc2oc(=O)cc(CN3CCN(c4ccccc4)CC3)c2c1
+,,,,,0.0,,,,,,,,,,,,CID973231,CCc1cc(OCCN2C(=O)NC(C)(C)C2=O)ccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID3197528,CCCc1nc(SCC(=O)Nc2nnc(CC)s2)c2c(C)c(C)sc2n1
+0.0,,,,,0.0,,0.0,,,,0.0,,,,,,CID3241929,O=C(CCn1c(=O)[nH]c2ccccc2c1=O)Nc1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID1119323,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCc1ccccc1
+,0.0,,,,,,,,,,0.0,,,,0.0,0.0,CID661269,Cc1ccc(NC(=O)CSc2nnc(NC(=O)CN3CCOCC3)s2)cc1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID5309384,O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1nc2ccccc2s1
+0.0,,,,,,,,,,0.0,,,,,,,CID644534,Fc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1
+0.0,,,,,,,,,,,,,,,,,CID2826887,FC(F)(F)COc1nc(N2CCCCC2)nc(N2CCNCC2)n1
+,,,,,,,,,,,0.0,,,,,,CID2936499,CS(=O)(=O)N1CCN(c2ccc(C(=O)NC3C4CC5CC(C4)CC3C5)cc2[N+](=O)[O-])CC1
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+,,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID685191,CC1(C)CC(=O)C=C(Nc2ccccc2F)C1
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+,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,CID2295169,COc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12
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+,,,,0.0,,,,,,,,,,,,,CID649689,Cc1nnc(SCC(=O)Nc2nccs2)s1
+,,,,,,0.0,,,0.0,,,,,,,,CID659519,COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
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+,,,,,0.0,,,,,,0.0,,,,,,CID1328988,O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2249671,COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OC(C)C
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+,,,,,,,,,,,,,0.0,,,,CID16190836,COCC1CCCN(Cc2nc(Cc3ccccc3)no2)C1
+,,,,,0.0,,,,,,,,,,,,CID2699929,Cc1cccc(C)c1NC(=O)CN(C)CC(=O)Nc1ccc(C#N)c(Cl)c1
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+,,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID678599,CCOC(=O)c1c(C)oc2c1cc(O)c1ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2429307,O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)Nc1ccc2[nH]c(=O)[nH]c2c1
+0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,0.0,CID2375409,C=CCn1c(=O)c2ccccc2n2c(SCC(=O)NCc3cccs3)nnc12
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+,,,,,0.0,,,,,,,,,,,,CID1473622,COc1ccc(C(=O)Nc2cc(C(=O)c3ccccc3)c(C)oc2=O)cc1
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+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID733793,CC(=O)c1sc(NC(=O)C=C(C)C)nc1C
+,,,,,,,,,,,,0.0,,,,,CID655824,CC1Oc2ccccc2N(Cc2cccnc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID2309090,CCn1c2ccccc2c2cc(/C=N/n3cn[nH]c3=S)ccc21
+,,,,,,,,,,0.0,0.0,,,,,,CID2235606,CCOc1ccccc1NC(=O)Nc1c(C)n(-c2ccccc2)c(=O)n1C
+,,,,,0.0,,,,,,,,,,,,CID5788151,COc1ccc(C(=O)/C=C2\NCC3c4ccccc4CCN3C2=O)cc1
+0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,,,CID5308984,COc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccn2C)n1-c1ccc(F)cc1
+,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,0.0,,0.0,CID645283,CCCCNS(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
+0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,CID666415,COc1ccc(OCC(=O)Nc2ccc3c(c2)nc2n3CCSC2)cc1
+0.0,,,,,,,0.0,,,,,0.0,,,,0.0,CID3243123,Cc1ccc(C)c(N2CCN(C(=O)CC3Sc4ccccc4NC3=O)CC2)c1
+,,,,,,,,,,0.0,,,,,,,CID2575417,Cc1ccc2c(CSc3nc4ccccc4c(=O)n3CCCO)cc(=O)oc2c1C
+,,,,,,,,,,,0.0,,,,,,CID1400841,Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3CC(C)C
+,,,,,0.0,,,,,,,0.0,0.0,,,0.0,CID2561414,O=C(Oc1ccc2c(c1)OCO2)c1cc2c(s1)CCC2
+,,,,,,,,,,0.0,,,,,,,CID575169,CC(=O)c1ccc(NC(=O)CSc2nccn2CCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2119988,CCOC(=O)c1sc2nc(Cc3ccc(Cl)cc3)[nH]c(=S)c2c1C
+0.0,0.0,,,,,,,,,,,,,,,,CID4154944,CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12
+,,,,,,,,,,,,,,,,0.0,CID648361,COCCN(C(C)=O)c1nnc(-c2cnccn2)s1
+,,0.0,,0.0,,,,,,,,,,,,,CID2926212,CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccc(C)o1
+,,,,,,,,,,,,0.0,,,,0.0,CID653332,C=CCN1C(=O)C2C(C(=O)NC)C3C=CC2(O3)C1C(=O)NCc1ccc(OC)cc1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID3155240,CCC(CO)NC(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID6534293,CCCCC#C/C=C1/Cn2c(nc3ccccc32)S1
+,,,,,,,,,,,0.0,,,0.0,,,CID1479836,COc1ccc(Oc2nc(SC)nc3ccccc23)cc1
+,,0.0,,,,,,,,,,,,,,,CID5307890,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCc3cccs3)ccc21
+,,,,,,,,,,,0.0,,,,,,CID589102,CCCn1c(-c2nonc2N)nc2ccccc21
+,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID5389137,CCN(CC)c1ccc(N/C=C2\C(=O)NC(=O)N(c3cc(OC)ccc3OC)C2=O)cc1
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID2999892,COc1ccccc1N1CCN(c2nc(N)c(C#N)c(CC#N)c2C#N)CC1
+,,,,,,,,,,,,,,0.0,,,CID2412953,Cc1ccc(-n2c(SCC(=O)NCCN3C(=O)CSC3=O)nnc2-c2ccccc2)cc1C
+0.0,,,,,,,,,0.0,,,,,,0.0,0.0,CID712887,O=C(NCCc1ccncc1)Nc1ccc(Cl)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID1080861,CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)N3CCOCC3)cc12
+,0.0,,,,,,,,0.0,,,,,,,,CID1881562,COc1cccc(N2CCN(c3ncnc4c3cnn4-c3ccc(C)cc3C)CC2)c1
+0.0,0.0,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,CID972595,O=C(Nc1nc(-c2ccccc2)ns1)c1cccs1
+,,,,,0.0,,,,,,,,,0.0,,,CID9551462,CCC1CCCCN1CCCNC(=O)c1ccc2c(=O)n(Cc3ccc(OC)cc3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,,0.0,0.0,CID2970728,Cc1ccc(C(C)NC(=O)c2ccco2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID66377,CCc1cn(C2CC(O)C(CO)O2)c(=O)[nH]c1=O
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,CID1299185,O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID1472593,Cc1ccc(S(=O)(=O)NNC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID2206443,COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(OC)c2)ccc1Cl
+0.0,,,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID888352,Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID875268,O=C(Cc1ccc(Br)cc1)N1CCCCCC1
+,,,,,,,,,,,,0.0,,,,,CID659640,Cc1nn(C)cc1/C=N/O
+,,,,,,,,,,,0.0,,,,,,CID3243874,O=C(c1cnc(N2CCN(c3ncccn3)CC2)c2ccccc12)N1CCN(c2ncccn2)CC1
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,,CID1586862,COc1cccc(OCCSc2nnc3sc4ccccc4n23)c1
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID752839,Cc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2)s1
+,,,,,,,,,,,0.0,,,,,,CID784216,COc1ccc(CNc2cccc(F)c2)cc1Br
+,,,,,,,,,,,0.0,,,,,,CID745052,Nc1nc(N)nc(-c2ccc(Oc3ccccc3)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID650894,O=C(NCc1ccco1)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID850172,O=C(NCc1ccccc1)Oc1cccc(Cl)c1
+,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,CID2215917,O=C(COc1ccc2ccccc2c1Br)Nc1ncn[nH]1
+,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID2958730,CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)s1
+,,0.0,0.0,,0.0,,0.0,,,,0.0,0.0,,,,,CID3245253,CC(C)(C)c1ccc(O)c(CN2CCN(c3ccccc3)CC2)c1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID650160,CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2cccs2)n1
+,,,,,,,,,,,,,,0.0,,,CID878844,Nc1[nH]nc2ncc3cc4ccccc4nc3c12
+,,,,,,,,,,,,,,0.0,,,CID12005546,COc1ccc2c(c1)c(C(=O)NN/C=C1/C=CC(=O)C(O)=C1)c(C)n2C
+0.0,,,0.0,,,,,,0.0,,,,,,,0.0,CID646708,O=C(c1cccs1)N1CCCC(c2nc(-c3ccc(F)cc3)no2)C1
+0.0,,,,,0.0,,,,,,,0.0,,,0.0,0.0,CID3243496,OC(Cc1nc2ccccc2[nH]1)c1ccccc1Cl
+0.0,,,,0.0,0.0,,0.0,,,,,,,,,0.0,CID3244907,COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2
+,,,,,0.0,,,,,,,,,,,,CID3515101,COc1cc(Cl)c(C)cc1NC(=O)CNC(=O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,0.0,,0.0,,,,,,CID2533050,Cc1csc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)n1
+,0.0,,,,,,,,,,,,0.0,,,,CID666910,CCOc1ccc(Nc2nc(=O)c3c([nH]2)CCC3)cc1
+,,0.0,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID2241597,Nc1nc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n[nH]1
+,0.0,,,0.0,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,CID2197444,CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(OC)cc1
+0.0,,,,,,,,,,,0.0,,,0.0,,0.0,CID664041,CCN(C(=O)c1coc(=O)c(Br)c1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID1071707,Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)no1
+,,,,,,,,,,,,,0.0,,,,CID1253057,Cc1cc(N(CC(=O)NC2CC2)S(C)(=O)=O)ccc1Br
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID656124,N#Cc1cccc(-c2nnc(SCc3ccccc3C#N)o2)c1
+,,,,,,,,,,,0.0,,,,,,CID1485493,CN(C)S(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccccc3Cl)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3222675,COc1ccc(NC(=O)C2CCN(c3nnnn3-c3ccccc3)CC2)cc1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID5309974,CCOC(=O)c1[nH]c(C)c(C(=O)NC2CCCC2)c1C
+0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,CID649262,Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1828997,O=c1c2c3c(sc2nc(NCCO)n1Cc1ccco1)CCCCC3
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID1783163,C=CCSc1nnc(C)n1-c1ccc(Cl)cc1
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID663561,CN(C)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5160429,CCCCC1NC(=S)N(C2CCCCC2)C1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID660807,CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2C1C=CCCC1
+,,,,,,,,,,,,,,0.0,,,CID5964294,O=C1C=Cc2ccccc2/C1=C/NNc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID650197,COc1ccccc1NC(=O)N(CCCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
+,0.0,,,,,,,,,,,,,,0.0,,CID5307197,COc1ccc(CNC(=O)c2nnn(Cc3ccc(OC)cc3)c2N)cc1
+,0.0,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,CID655179,O=c1c2ccccc2nnn1Cc1ccccn1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,0.0,,CID660815,COC(=O)CCC(=O)COc1ccc(OC)cc1C#N
+,,,0.0,,,,,,,,,,,,,,CID5389607,Cc1c(C)c2cc(Cl)c(O)c(CN3CCCC(C)C3)c2oc1=O
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID645960,CCc1[nH]c(SCc2cccnc2)nc(=O)c1C
+,,,,,0.0,,,,,,,,,,,,CID9550747,Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCOCC1
+,0.0,0.0,,,,,0.0,0.0,,,,0.0,,,,,CID3237086,O=C(NCc1cccnc1)c1noc2c1CCCCC2
+0.0,,,,,,0.0,,,,,,,,,,,CID666196,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCCN1c1ccc(F)cc1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,CID1261884,CCOC(=O)c1ccc(CNC(=O)CSc2nnnn2-c2ccc(Cl)cc2)o1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID2999008,O=C(OCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID2186553,O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID804645,O=C(Nc1ccc(N2CCOCC2)cc1)C1CC1
+,,,,,,,,,,,,,,0.0,,,CID2464231,Cc1c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID1583057,C=CCN1C(=O)/C(=C/c2ccccc2)S/C1=N/c1nccs1
+,,,,,,,,,,0.0,,,,,,,CID2192756,Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1C
+0.0,,0.0,,,,,0.0,,,,,,,0.0,0.0,0.0,CID652690,Cn1cnnc1SCC(=O)N(Cc1ccc2c(c1)OCO2)C1(C(=O)NC2CCCCC2)CCCC1
+0.0,,0.0,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,CID659348,O=C(Nn1c(-c2ccccc2)nc2ccccc2c1=O)c1ccco1
+,,,,,,,,,,,0.0,,,0.0,,,CID2929115,Cc1ccccc1N(CC(=O)NCCSC1CCCCC1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1719635,COc1ccc(C)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,0.0,,,,CID97654,Cc1ccc(S(=O)(=O)CC(=O)c2ccccc2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,0.0,CID3239820,CN(C(=O)c1ccc(=O)[nH]c1)C1(C(=O)NC2CCCCC2)CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID7064,Nc1nc(N)nc(-c2ccccc2)n1
+,,0.0,0.0,,,0.0,,0.0,,,,,,,,,CID1067666,Cc1nn(-c2nc3ccccc3n2Cc2ccccc2)c2c1C(=O)CC(C)(C)C2
+,,,,,0.0,,,,,,,,,,,,CID6374985,Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID664624,O=C(c1ccco1)C1C2C(=O)N(c3ccc(Br)cc3)C(=O)C2C2c3ccccc3C=CN12
+,,,,,,,,,,,,,0.0,,,,CID4967439,Cc1ccc(NC(=O)CN(C)C(=O)CSc2ncc(C(F)(F)F)cc2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2497380,O=Cc1cn(Cc2ccccc2)nc1-c1cccnc1
+,,,,,0.0,,,,0.0,,0.0,0.0,,,,,CID3237705,CC1(C(=O)NC2CCCC2)CCC(=O)N1CCC1=CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID749451,CN1CCCCc2c1[nH]c1ccccc1c2=O
+,,,0.0,0.0,,,,,,,0.0,,,,0.0,,CID661448,CC(=O)Nc1ccc(OC(=O)CC2SC(=O)NC2=O)cc1
+,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,CID659502,CCCCC(CCC(=O)Nc1nncs1)(C(=O)OCC)C(=O)OCC
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID650491,CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC(=O)C(C)(C)C)cc2)CC1
+,,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID2975890,Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)NCc1ccco1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308066,Fc1ccc(Br)cc1C1C=C(c2cccnc2)N=C2N=CNN21
+,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID1285995,CC/N=C1\SCC(=O)N1c1ccc(OC)cc1
+0.0,,,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,CID664369,COc1ccc(-c2ccc(-c3noc(C(C)C)n3)c(OC)n2)cc1
+,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID661138,CCOC(=O)C(NC(=O)c1ccc(OC)cc1)(N1CCOCC1)C(F)(F)F
+,,,0.0,,,,0.0,,,,,,,,,,CID2158957,COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4COCC4(C)C)cc3)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID867445,O=c1c(=NNc2ccccc2Cl)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID221396,CC(C)C(=O)NNc1ccccc1
+,,,0.0,,,0.0,,0.0,,0.0,0.0,,,0.0,,,CID1222713,Cn1c(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc(=O)n(C)c1=O
+0.0,,,,,,,,,,,0.0,0.0,,,,0.0,CID2997755,O=C(NC1CCCCCC1)C1CC(=O)N(Cc2ccccc2)C1
+,,,,,,,,,,,,0.0,,,,,CID5345915,NC1=NONC1=C1N=c2ccccc2=N1
+,0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,,0.0,,CID655314,C=CC/N=C1\SCC(=O)N1S(=O)(=O)c1ccc(C)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3242866,CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1
+,,,,,,,,,,,,,,0.0,0.0,0.0,CID2974597,COc1cc(OC)c(C2=NOC(C(=O)O)C2)cc1Cl
+,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,CID653528,O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1
+0.0,,,0.0,,0.0,0.0,,,,,,,,,,,CID730073,O=C(CCc1ccccc1)Nc1ccc(N2CCOCC2)cc1
+,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,,CID696867,O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2828921,COC(=O)c1ccc(/N=N/Nc2cccc(Br)c2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID653039,CC(C)N(C(=O)Cn1c(SCC(=O)N2CCN(c3ccccc3)CC2)nc2ccccc21)C(C)C
+,,,,,,,,,,,,,,0.0,,,CID3297811,O=C1CSC(c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)N1Cc1cccnc1
+,0.0,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID2043852,COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1-c1nnc2c3ccccc3c(C)nn12
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1328530,CCOC(=O)C1CCN(C(=O)COc2cc(C)c(Br)c(C)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1107782,Cc1c(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,0.0,,,,CID851316,O=C(CS(=O)(=O)c1ccccc1)N1CCCCCC1
+,,,0.0,,,,,,,,,0.0,,,,,CID644504,CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1
+0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,0.0,,CID2109912,COC(=O)c1ccc(CSc2nnc(NCc3ccccc3)s2)o1
+,,,,,0.0,,,,,,,,,,,,CID1254592,COc1ccc2oc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)nc2c1
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID1314027,COc1ccccc1N1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID16193685,CCCCNC(=O)c1[nH]c(C)c(C(C)=O)c1C
+,,,,,0.0,,,,,,,,,,,,CID1803281,CN(C)c1ccc(/C=C2\NC(=S)N(Cc3ccccc3)C2=O)cc1
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+,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,,,CID666505,Cc1cc(C)nc(SCC(=O)Nc2ncc3c(n2)CCCC3=O)n1
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+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID3244794,O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCc1ccc(F)cc1
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+,0.0,,,,,,,,0.0,0.0,,0.0,,,,,CID1569645,CCCc1nnc(SCCSc2nnc(CCC)n2N)n1N
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+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID5309227,CCOC(=O)N1CCN(C(=O)CS(=O)Cc2nc(-c3cccc(C)c3)oc2C)CC1
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+,,0.0,,,,,,,,0.0,0.0,0.0,,,,,CID1069562,Cc1ccnc(-n2c(CCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c1
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+,,,,,,,,,,0.0,,,,0.0,,,CID1381656,CCN(CC)S(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1
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+,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2971120,Cc1noc(C)c1C(=O)NC1CCCc2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID2862025,O=C(Nc1nncs1)C(Sc1ccccc1)c1ccccc1
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+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID5307844,CCOC(=O)CNC(=O)CSc1nnc(Cn2c(=O)sc3ccccc32)n1C
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+,,,,,0.0,,,,,,,,,,,,CID5347653,CCOC(=O)C(CCOc1cc(C)cc(C)c1C)C(=O)OCC
+,,,,,,,,,0.0,,,,,,,,CID2836844,C=CCNC(=O)C(C(=O)OCC)C1CCCCC1
+,0.0,,0.0,,0.0,,,,,0.0,,,,,,0.0,CID2195956,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc4c(cc3C#N)CCCC4)cc2)c1C
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+,,,,,,,,,0.0,,,,,,,,CID5307342,O=C(Cn1cc2c(n1)CCCC2)NCCCN1CCN(C2CCCCC2)CC1
+,,,,,,,0.0,,,,,0.0,,,,,CID3244985,CCOC(=O)C1CCN(C(=O)c2cc3cc4cc(OC)ccc4nc3o2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2112939,NC(=O)COC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID692738,O=C(c1ccccc1[N+](=O)[O-])N1CCc2ccccc2C1
+,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,CID3242410,CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)C1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID666386,O=C(Cn1nc(Cl)nc1Cl)c1cc2ccccc2oc1=O
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+,,,,,,,,,,,,,0.0,,0.0,0.0,CID789347,O=C(Nc1ccccn1)c1cccc(S(=O)(=O)N2CCOCC2)c1
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+,,,,,0.0,,,0.0,,0.0,,,,0.0,,,CID1242827,Cc1cccc(CSc2nnc(NC(=O)c3ccco3)s2)c1
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+,,,,,,,,,,,,,,0.0,,,CID1223659,COCc1cc(=O)nc(Sc2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1509690,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(C(C)C)cc1
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID3236000,COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID2946011,O=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID3151061,CCOCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID2960075,Cc1ccccc1OC1C(=O)N(Cc2ccc3c(c2)OCO3)C1c1sccc1C
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID2115623,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)OCC(=O)NC(N)=O
+,,,,,,,,,,0.0,,,,0.0,,,CID2216015,Cc1cc(Cl)c(OCCCSc2nc(=O)cc(C)[nH]2)c(Br)c1
+,0.0,0.0,,,,,0.0,,0.0,,0.0,,,,,,CID663759,CC(=O)NC1=NC(=O)/C(=C/N2CCOCC2)S1
+,,,,,,,,,0.0,,,,,,,,CID903828,COc1ccc(CNC(=O)c2ccc(C)o2)cc1
+,,,,,,,,,,,,,,,,0.0,CID881739,COc1ccc(Br)cc1C(=O)O
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0,CID647804,CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID3242357,Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCC2CCCO2)c1
+,,,,,,,0.0,,,,,,,,,,CID3243484,O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID3365775,O=C(O)CCC(=O)N1N=C(c2cccs2)CC1c1cn(-c2ccccc2)nc1-c1ccccc1
+,0.0,,,,,,,0.0,0.0,,,,,,0.0,,CID3241627,CC1C=CCC2C(=O)N(c3cccc(C(=O)N4CCN(c5ccc(F)cc5)CC4)c3)C(=O)C12
+,,,,,,,,,,,,,0.0,,,,CID16192012,COc1ccc(C2CC3CN(Cc4ccccc4OC)C(=O)C34CCCN24)cc1C
+0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,0.0,,CID1528686,COC(=O)Cc1csc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID1248129,Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(Cl)s3)nc2s1
+0.0,,,,,,0.0,,,,,,,,,,,CID3241350,CC(C)N(C)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2899799,O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CCN(c2ccccc2)CC1
+0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID1264486,Cn1c(COc2ccccc2)nnc1SCc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID16191808,CCN(CCn1cccn1)C(=O)CC1C(=O)NCCN1Cc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID692750,COc1cc(C(=O)Nc2cccc(C(C)=O)c2)cc(OC)c1OC
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+,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,,CID2522692,Cc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1
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+,0.0,,,,,,,,,,,,,0.0,,,CID5308994,Cc1cc(Nc2ccc3c(c2)OCCO3)n2nc(C)nc2n1
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+,0.0,,,0.0,0.0,,,,,,0.0,,,,,,CID662263,Clc1cccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)c1
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID650090,Cn1c(=O)c2c(nc(SCC(=O)c3cccs3)n2Cc2ccc(F)cc2)n(C)c1=O
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+0.0,0.0,,,,,,,,,,,,,,,,CID5307725,Cc1ccc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1
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+,0.0,,,0.0,,,,,,,,,,,,,CID3244799,CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCCc4ccccc43)ccc21
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+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID2129265,Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NC1=NCCS1
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+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID5389684,CC/C(NCc1ccco1)=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O
+,,,,,,,,,,0.0,,,,,,,CID1863161,Cc1nc2nc(NCc3cccs3)nn2c(C)c1Cl
+,,,0.0,,,0.0,,,,,,,,,,,CID788462,CC1=C(NCCc2ccccc2)CCC1=O
+,,,,,,,,,,,,,0.0,,,,CID2338875,COc1ccc(/N=c2\scc(C)n2CCCN2CCCC2=O)cc1
+,,,,,0.0,,,0.0,,,,0.0,0.0,0.0,,,CID2201485,Cc1cc(OCCSc2nnc(-c3cccs3)n2C)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID5342218,O=C(NCCN1CCCCC1)c1cc2ccccc2o1
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+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID3235634,COc1ccccc1CNC(=O)CCn1c(=O)[nH]c2ccsc2c1=O
+,,,0.0,,,,,,,,,,,,,,CID973296,CC1(C)NC(=O)N(CCOc2cccc(Cl)c2Cl)C1=O
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+0.0,,,,,,,,,,,,,,,,,CID3245432,O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NCCc1ccccc1
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+,,0.0,,,,,,,0.0,,,,,,,0.0,CID2877335,CN1C(=O)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O
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+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID654237,Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccccn2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID568713,CC(C(=O)Nc1ccc2c(c1)OCCO2)n1nnc(-c2ccccc2)n1
+,,,,,0.0,,,,,,,,,,,0.0,CID5308691,CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C)cc2c1=O)CCc1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID646955,COC(=O)CN(c1ccccn1)S(=O)(=O)c1ccccc1
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+,,0.0,,,,0.0,,,,0.0,,,,,,0.0,CID965339,Cc1ccccc1NC(=O)c1nc[nH]c1C(=O)NCc1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID1789264,COC(=O)c1ccccc1NC(=S)NC(=O)CC(C)C
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+,,,,,,,,,,,,,0.0,,,,CID670792,COc1ccc(Cl)cc1C(=O)Nc1ccc(N(C)C(C)=O)cc1
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+,,0.0,,,,,0.0,,,,,,,,,,CID660882,Cc1nn(CCO)c2c1C(=O)CCC2
+,,,,,,0.0,,,,,,,,,,,CID660580,COc1ccc(CCn2c(C)ccc2C)cc1OC
+,,,,,,,,,,,,0.0,0.0,,,,CID2193700,O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,,CID165348,c1ccc2c(CCNc3ncnc4nc[nH]c34)c[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID6183030,COC(=O)c1sccc1NN/C=C1\C=CC=C(OC)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2573987,CCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1
+,,,,,,0.0,,,,,,,,,,,CID5390021,Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)C2C(=O)N(c3ccc(F)cc3)C(=O)C21
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+,,,,0.0,,,0.0,,,,,,,,,0.0,CID653355,O=C(NCCO)c1c(O)n2c3c(cccc3c1=O)CC2
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3238021,COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)NC(C)C)n1
+,,,0.0,,,,,,,,,,,,,,CID684437,O=C(O)CCCC(=O)Nc1cccc(C(F)(F)F)c1
+,,,,,,0.0,,,0.0,,0.0,0.0,,,0.0,,CID650401,O=C(CCC1CCCC1)NCc1ccccn1
+,,,,,0.0,,,,,0.0,0.0,,,,0.0,,CID721338,COc1ccc(CCNC(=O)c2ccco2)cc1
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID3238333,O=C(NCc1ccc(F)cc1)C1CCC(=O)N1C1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID1485433,O=C(CCl)Nc1cccc(-c2cnc3ccccc3n2)c1
+,,,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID2095880,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CSc3nc(=O)c4ccccc4[nH]3)CC2)cc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID2052768,COc1cccc(-c2cc(C(F)(F)F)nc(N3CCOCC3)n2)c1
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+,,,,,,,,,,,,,0.0,,,,CID883858,Cc1cc(OCC(=O)NC(C)(C)C)ccc1Cl
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID661213,Cc1c(CCC#N)c(N2CCCCC2)n2c(nc3ccccc32)c1C#N
+,,,,,,,,,0.0,,,,,,,,CID664898,CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1
+,,,,,,,0.0,,,,,0.0,,,,,CID5389632,COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCO)C2=O)cc1OC
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID3245033,CCCS(=O)(=O)N1CCC(C(=O)NCCCN2CCCC2=O)CC1
+0.0,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID3238135,Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID752282,Clc1ccc(-c2noc(CCCc3ccccc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID879093,CCOC(=O)c1c(C)oc2c1C(=O)c1ccccc1C2=O
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+,0.0,0.0,,0.0,,,,,,,,,,,,,CID664768,Cc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)o1
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+,,0.0,,,,0.0,,,,,,,,,0.0,,CID3240993,COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl
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+,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,,,CID657441,CC(C)Cc1nc(N2CCOCC2)c(C#N)c2c1COC(C)(C)C2
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+,,,,,,,,,,,,,,0.0,,,CID1082142,CC(C)OC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1C
+,0.0,,0.0,,,1.0,,,0.0,,,,,,,,CID657472,CCOC(=O)c1[nH]c2ccc(C)cc2c1N
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+0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID666449,COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1OC
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+,0.0,,0.0,,,,0.0,,,,,0.0,,,0.0,0.0,CID3235607,O=C(c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID3238727,COc1ccc(N2CCN(C(=O)Cn3c(=O)[nH]c4ccsc4c3=O)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID658883,CCCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1C
+0.0,0.0,,,,,0.0,0.0,,,,,,,,,,CID5308785,O=C(CN1CCN(C2CCCCC2)CC1)c1ccc2cc[nH]c2c1
+0.0,,,,,,,,,,,,,,0.0,,,CID3432341,Cc1ccc(S(=O)(=O)C2(C(=O)Nc3cccnc3)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3240161,CC1(CC(=O)O)SC(=O)NC1=O
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID2586039,O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)N1CCc2ccccc2C1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID707444,O=C(O)CCc1ccc(-c2ccccc2)n1CC(=O)O
+,,,,,,,0.0,,,,,,,,,,CID2955856,O=C1c2ccccc2C(O)(Cc2ccccc2)N1C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID4022728,CCOC(=O)c1c(C2CC2)csc1NC(=O)COC(=O)CCS(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID957573,Cc1cc(C)n2cc(COc3ccc4ccccc4c3)nc2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID1181520,COc1ccc(-c2c/c(=N\c3ccc(C(=O)O)cc3)c3cc(C)ccc3o2)cc1
+0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,CID1090111,COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1OC
+,0.0,,,,,,,,,,,0.0,,,,,CID652013,COCCn1c(NCc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C
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+,,,,,,,,,,0.0,,,,,,,CID5310112,O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,,0.0,0.0,CID711385,CCOC(=O)c1c(N)sc2c(O)c(Br)ccc12
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,,CID3157316,CC(=O)Cc1nsc(NC(=O)c2cc(-c3ccccc3Cl)oc2C)n1
+,,,,,,,,,,,,,,0.0,,,CID2957574,O=S(=O)(CC(CN1CCCCC1)N1CCCCC1)c1ccc2ccccc2c1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID806583,COc1ccc(Br)cc1C(=O)Nc1cc(C)cc(C)c1
+,,,,,,,,,,,0.0,,,,,,CID868317,Cc1cc(C)nc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID1224930,C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1202373,COC(=O)c1cc(C(=O)Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1
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+0.0,,,,,,,,,,,,,,,,,CID4781,CCCCC1C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2879561,Cc1cc(C)c(NC(=O)C(C)Sc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1
+,0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2423692,Cc1noc(C)c1COC(=O)C1(c2cccc(F)c2)CCCC1
+,,,,,,,,,0.0,,,,,,,,CID3106471,CC1=NN(C(N)=S)C(=O)C1/N=N/c1ccccc1C
+,,,,,,,,,,,,,,0.0,,,CID3192345,CC1CCCN(c2ccc(C(=O)NCc3ccccc3)cn2)C1
+,,,,,,,0.0,,,,,,0.0,,,,CID658204,CC1(C)Cc2c(sc3nc4n(c(=O)c23)CCC4)CO1
+0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,,0.0,CID667314,Cc1[nH]nc(NC=C2C(=O)CC(C)(C)CC2=O)c1-c1ccc(Cl)cc1
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID661159,COc1ccc(C2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCN(C)C)cc1OC
+,0.0,,,0.0,,0.0,0.0,,,0.0,,,,0.0,,0.0,CID646775,O=C(CCn1nnc(-c2cccs2)n1)N1CCc2ccccc2C1
+0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,,,CID649186,O=C(CN1C(=O)COc2ccccc21)N(Cc1ccccc1)Cc1ccccn1
+0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,CID2999647,CN(C(=O)CSc1nnnn1-c1ccccc1)C1CCCCC1
+,,,,,,,,,,,,,,,,0.0,CID5740509,COc1cccc(C2CC(C(F)(F)F)N3NC=C(C(=O)O)C3=N2)c1
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID1104762,COc1ccccc1NC(=O)c1nc[nH]c1C(=O)Nc1ccccc1OC
+,0.0,,0.0,,,,,,0.0,0.0,,,,,,,CID2951844,O=C(c1ccco1)N1CCN(c2ncnc3c2oc2ccccc23)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1213610,COc1ccc(OCC(=O)NNC(=O)c2ccc(-c3ccccc3)cc2)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID663042,CCCCCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID3235686,Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)o1
+,,,,,,,,,,,,,,0.0,,,CID1581676,C=CC/N=C1\SC(C)(C)C(=O)N1S(=O)(=O)c1ccc(C)cc1
+,,,,0.0,,,,,,,,,,,,,CID2162577,Cc1nnc(SCC(=O)Nc2ccccc2NC(=O)CSc2nnc(C)s2)s1
+0.0,,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID650580,O=S(=O)(c1ccccc1Cl)N1CCCC(c2nc(-c3cccnc3)no2)C1
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID658953,Cc1nnc(NCc2n[nH]c(=O)c3ccccc23)c2ccccc12
+,,,,,,,,0.0,0.0,0.0,0.0,0.0,,,,,CID3237603,COc1ccc(N2CCN(C(=O)c3ccc4c(=O)n(CC5CCCO5)c(=O)[nH]c4c3)CC2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2998382,O=C(COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1)NC1CCCCC1
+,,,,,,,,,,,0.0,,0.0,,,,CID2861929,COC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2
+0.0,,,,,,0.0,,0.0,,,0.0,0.0,,,,,CID665413,Cc1ccc(-c2noc(-c3ccccc3C(=O)NCC3CCCO3)n2)cc1
+,,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID2507342,Cc1nnc(SCC(=O)c2cc(C)n(-c3c(C)n(C)n(-c4ccccc4)c3=O)c2C)s1
+,,,,,,,,,,,,,0.0,,,,CID772962,Cc1ccccc1OCC(=O)N/N=C/c1ccncc1
+,,,,,,,0.0,,,,,,0.0,,,,CID5308598,CCOC(=O)C1CCCN(C(=O)c2ccc(CNc3c(N4CCC(C)CC4)c(=O)c3=O)cc2)C1
+,,,,,,,0.0,,,,,,,,,,CID1300334,COc1ccc(CCNC(=O)CSCc2nc(=O)[nH][nH]2)cc1OC
+0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,,,CID649336,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3)cc2)no1
+,,,,,,,,,,,,,0.0,,,,CID15994366,COc1ccc(C)cc1NC(=O)CCS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
+0.0,0.0,,,0.0,0.0,,,0.0,,0.0,0.0,,,,,,CID649676,COCCN(C(=O)Cc1cccs1)c1nnc(-c2cccnc2)s1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID2933177,Cc1nc(NC(=O)CCCC(=O)Nc2nc(C)c(C)s2)sc1C
+,,,,,,,,,,,,,0.0,,,,CID4003720,COc1ccc(N2C(=O)C(Cc3ccccc3)NC2=S)cc1
+,,,,,,,,,,,,0.0,,,,,CID646899,COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)N1CCN(C2CCCCC2)CC1
+,,,,,,0.0,,0.0,,,,,,,,,CID2908244,O=C(O)c1ccccc1S(=O)(=O)NCC(O)COc1ccc(Br)cc1
+,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,CID652754,Cc1cc(C)cc(OCC(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)c1
+0.0,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,CID891289,Cc1ccc(-n2c(N)c(C(=O)N3CCOCC3)sc2=S)cc1
+,0.0,,,0.0,,0.0,0.0,,,0.0,,,,,,,CID732358,CCOC(=O)Cc1csc(NC(=O)CC)n1
+,,,,,0.0,,,,,,,,,,,,CID5833639,Cc1ccc(N/C(=N\S(=O)(=O)c2ccccc2)Nc2nc(C)cc(C)n2)cc1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,CID698695,CCc1nc(SCC(=O)NCCc2ccccc2)n[nH]1
+,,,,,,,,,0.0,,,,0.0,,,0.0,CID2973444,O=S1(=O)C=CC(Nc2cccc(Cl)c2)C1
+,,,,,,,,,,,,0.0,,,,0.0,CID2082651,C=CCn1c(SCc2c(C)noc2C)nc2cc(C(=O)O)ccc2c1=O
+,,,,,,,,,,0.0,,0.0,,,,,CID665052,CCN(CC)c1ccc2c(c1)C(=O)N(C)C2=O
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID714386,O=c1n(-c2cccc(Cl)c2)c(=O)n2n1CCC2
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID827904,COc1ccccc1C(=O)Nc1cc2ccccc2oc1=O
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID653569,C=CCOc1cccc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID16194711,CCOC(=O)N1CCN(C(=O)CSc2ccc3nnc(CCNC(=O)c4ccccc4)n3n2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID647226,CCN(CC)c1nc(Nc2ccc(Cl)cc2)nc(OCC#N)n1
+,,0.0,,,,,,0.0,,,0.0,0.0,,0.0,,,CID573344,CC(=O)N(C)c1ccc(NC(=O)c2cnn(C)c2)cc1
+,,,,,,,0.0,,,,0.0,,,,,,CID3242710,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NC1CCCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID665643,CSc1nnc2c3c4c(sc3nc(-n3nc(C)cc3C)n12)COC(C)(C)C4
+,,0.0,0.0,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID2882495,O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccn1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID2978056,CS(=O)(=O)N(CC(=O)NCC1CCCO1)c1ccc(F)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2317621,Cc1ccc(NCC(=O)NNC2=NCCC2)c(C)c1
+,,,,,,0.0,,,0.0,,,,,,,,CID3236739,CCOC(=O)c1sc(=S)n(-c2ccc3c(c2)OCO3)c1N
+,,,,,,,0.0,,,,,,,,,0.0,CID3242213,O=C(NCc1cccnc1)C1CCN(S(=O)(=O)c2cccnc2)CC1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID701085,O=C(NCSc1ccncn1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID851794,Cc1ccc(C(=O)Cc2nnc(C)s2)cc1
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID3243996,Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID653964,COc1ccc(NC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3236837,Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCC3)cc12
+,0.0,,,,,,,,,,,,,,,,CID5308051,CCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)on1
+,,,,,,,,0.0,,,,,,,,,CID713749,COC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1
+,,,,,0.0,,,,,,,,,,,,CID5201533,CCn1c(SCC(=O)NC2CCCc3ccccc32)nnc1-c1cccs1
+,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID2998208,O=C(COC(=O)C1=COCCO1)Nc1ccc2c(c1)OCO2
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID663264,CC(C)=CCSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
+,,,,,,,,,,,,,0.0,,,,CID699586,[O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID754509,COc1ccc(C(=O)NCCN2CCOCC2)cc1OC
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID1258719,CC(=O)Nc1ccc(Cl)c(C(=O)Nc2cccc(C)n2)c1
+,,,,,,,,,0.0,,,0.0,,,,,CID2251058,CC(C)(C)c1ccccc1OCCCCCNCCO
+,,,,,,,,,,,,,0.0,0.0,,,CID2040409,COc1cc2c(cc1OC)CN(S(=O)(=O)c1cccs1)CC2
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID652694,CC1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID2973558,c1ccc(Cc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1
+,,,,,,,0.0,,,,,,,,,,CID1264004,Cc1oc(C)c(C(=O)Nc2ccc(CC(=O)O)cc2)c1C(=O)Nc1ccc(CC(=O)O)cc1
+,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,,,CID652128,CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccccc2)cc1
+0.0,,,,,,,,0.0,,,,,0.0,,,,CID2160337,CC(C)(C)n1nc2c(c1NC(=O)c1ccc(Br)cc1)CS(=O)C2
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID3243029,COc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID62362,C=CCc1ccc(OC(=O)c2ccccc2)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID2968419,Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2ccc(Br)cc2)n1C
+0.0,,,,0.0,,,,,,,,,,,,,CID2321124,CN1C=C(C(F)(F)F)C=C/C1=C(\C#N)c1nnc2n1CCCCC2
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID1288960,CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21
+,,,,,0.0,,,,,,0.0,,,,,,CID1096310,O=C(Cn1cnc2ccccc2c1=O)Nc1nnc(SCc2ccccc2)s1
+,,,,,0.0,,,0.0,,,0.0,0.0,,,,,CID3236169,COc1ccc(N2CCN(C(=O)CNC(=O)Cn3c(C)cc4ccccc4c3=O)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID661154,CN(C)CCCNS(=O)(=O)c1cc(Cl)ccc1Cl
+,,,,,,,,,,0.0,,,,,,,CID3226283,Cc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)C3)n2)o1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID649753,CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(CC)cc2)n1
+,,,,,,,,,,0.0,,,,,,,CID3214164,O=C(CSc1nc2cccnc2n1Cc1ccccc1)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2141772,Cc1ccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID2810391,O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1F
+,,,,,,,,,,,,,0.0,0.0,,,CID3800322,COC(=O)c1ccc(NC(=O)c2ccccc2CC[N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID649133,Nc1cc(N)nc(SCCN2CCCCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID4054771,CCOC(=O)c1cc2c(s1)-c1c(C)cccc1OC2
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID3245640,COc1cccc(-n2nc(C(=O)Nc3ccc4c(c3)OCO4)c3ccccc3c2=O)c1
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,,CID657792,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1ncn2Cc1ccccc1
+,,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,CID3238837,CSc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2471,CCCCNc1cc(C(=O)O)cc(S(N)(=O)=O)c1Oc1ccccc1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID700581,Cc1cc(NC(=O)CSc2nc(=O)c(C)n[nH]2)no1
+,,,,,,0.0,,,,,,,,,,,CID714030,COc1ccc(NC(=O)c2cccnc2N2CCCCC2)cc1
+,,,,,,,0.0,,0.0,,,,0.0,,,,CID5307218,O=C(Cn1c(=O)oc2cc(S(=O)(=O)NCc3ccccc3)ccc21)NCc1ccco1
+,,,,,,,,0.0,,,,,,,,,CID778779,CC(=O)c1cc(CN2C(=O)c3ccccc3C2=O)cs1
+,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0,CID2160438,COc1cccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CS(=O)C3)c1OC
+,,,,,,,,0.0,,,,,,0.0,,,CID834427,CSc1n[nH]c(NCc2ccc(Cl)cc2)n1
+,,0.0,,,,,,,,,,,,,,,CID657571,C=CCNc1nc(N2CCCCC2)c(C#N)c2c1CN(Cc1ccccc1)CC2
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID900600,O=c1cc(CSc2nnnn2-c2ccccc2)nc2nc[nH]n12
+,0.0,,,0.0,,,,,,0.0,,0.0,,,,,CID665715,Cc1cc(-c2nnc3sc(C4CCCCC4)nn23)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID3140474,COc1cc(C(O)c2nccn2C)ccc1OCc1ccccc1
+0.0,0.0,0.0,,,0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,CID3240191,O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(=O)n(C3CCCC3)c(=O)[nH]c2c1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID3240145,COc1ccc(N2CCN(C(CNC(=O)c3cccc(Cl)c3)c3cccnc3)CC2)cc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID886954,COc1ccc(-c2csc(NCc3ccco3)n2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID1071835,CCn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID2295300,CCOc1cc(/C=C\[N+](=O)[O-])ccc1OCC(=O)Nc1ccccc1C
+0.0,,,0.0,0.0,,,,,,,0.0,,,,,,CID2227841,COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)c1
+,,,0.0,,,,,,,,,,,,0.0,,CID664037,COc1ccc(-c2nc(C#N)c(NCCCN(C)C)o2)cc1OC
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID3241722,COc1cc2c(cc1OC)C(C(=O)N1CCOCC1)C(c1cccs1)N(C)C2=O
+0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,,CID646112,O=C(NC1CCCCC1)N1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID2922198,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccccc3)CC2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1535126,COc1cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID743298,O=C(NCCN1CCOCC1)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID1611638,CCOC(=O)Cc1csc(NC(=O)CSc2nc(N)c3c(C)c(C)sc3n2)n1
+,,,,,0.0,,,,,,,,,,,,CID3632167,CC1(C)CC(=O)c2cc(OCC(=O)N3CCCCCC3)ccc2O1
+,,0.0,,0.0,,0.0,,,,,0.0,,,,,,CID658491,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CN1CCSCC1
+0.0,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,,CID663844,O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID2999343,COc1ccccc1CNC(=O)CSc1nc(-c2ccccc2)cn1N
+,,,0.0,,,,,,0.0,,,,,,,,CID665481,C=C(C)CSc1nc2ncccc2[nH]1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID665141,COc1ccc(N2/C(=N/C(C)=O)SC3CS(=O)(=O)CC32)cc1OC
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID2707505,O=C(COc1ccccc1Cl)N1CCN(c2ncccn2)CC1
+,0.0,,,0.0,0.0,,,,0.0,,0.0,0.0,,,0.0,,CID740612,COC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID648034,O=C(c1cc2ccccc2oc1=O)N(Cc1ccco1)CC1CCCO1
+,,,,,,,,,,0.0,,,,,,,CID654227,Cc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)Cc3nnnn3C3CCCC3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID2772388,Nc1ncc2c(n1)CC(c1ccccc1)CC2=O
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID686822,CC(=O)Nc1cccc(C(=O)Oc2cccc(C)c2)c1O
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0,CID650375,COCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID2871806,CCCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-]
+,0.0,,,,,,,,,,0.0,,0.0,,0.0,,CID1570586,Cc1ccc2ncnc(NCCCN3CCOCC3)c2c1
+,,,,,,,,,,,,,0.0,,,,CID2731182,CCOC(=O)c1ccc(NC(=S)NCCCN2CCOCC2)cc1
+,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID3235888,CC12C=CC3(CN(Cc4ccccc4)C(=O)C3C1C(=O)NCc1ccco1)O2
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID662248,Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID649068,COc1cc(S(=O)(=O)N(Cc2ccco2)C2CCCC2)ccc1-n1cnnn1
+,0.0,,0.0,,,,,,,,0.0,0.0,,,,,CID65549,CCNC(=O)c1nc[nH]c1C(=O)NCC
+,,,,0.0,,,,,,,,,,,0.0,,CID3240078,FC(F)(F)c1cc(-c2ccccc2)nc(-n2cncn2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550950,COc1ccc(CNC(=O)Cn2nc(Cc3cccnc3)c3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1189892,COC(=O)c1c(C)[nH]c(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1C
+,,,,,,,,,,,,,0.0,,,,CID12005125,Cc1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)NCC2CCCO2)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID2106403,COc1ccc(CCNC(=O)CN2CCC(C(N)=O)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID6411208,COc1ccccc1-c1ccc(Nc2cccc(C(F)(F)F)c2)nn1
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID2999401,COC(=O)CNC(=O)COC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,,,CID2947148,CCC(C)NC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID864548,Cc1ccc2cc(C)c(SCC(=O)NCc3ccco3)nc2c1
+,,,,,,,,,,,0.0,,,,,,CID766807,COc1ccc(CNc2ccccc2)cc1Br
+0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,,CID1084704,O=C(O)CCc1ccc(-c2cccs2)n1NC(=O)c1ccc(O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348757,CN(C1=NC(=O)S/C1=C\c1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID2079047,O=C(CCc1nc2ccccc2[nH]c1=O)OCC(=O)N1CCc2ccccc21
+,,,0.0,,,,,,0.0,,,,,,,,CID4686479,CCCC(=O)NC(C)c1nc2ccccc2n1CC
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID665389,Cn1c(=O)n(Cc2ccccc2F)c(=O)c2c1nc1n2CCCN1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1291552,COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3cccs3)cc2)no1
+0.0,,,,,,,,,,,,,,,0.0,,CID3239667,O=C(C1CCCN(c2nnc(-n3cccc3)s2)C1)N1CCC2(CC1)OCCO2
+,,,,,,,,,,0.0,0.0,,,,,,CID2522626,O=C1CN(C(=O)COc2ncnc3ccccc23)c2ccccc2N1
+,,,0.0,,,,,,,,,,,,,,CID9579594,CCCCC1CCC(/C(N)=N/O)CC1
+,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,,,CID646871,CC(=O)Nc1ccc(NC(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID699931,COc1cccc(-c2nc3ccccc3c(=O)o2)c1
+,,,,,,,,,0.0,,,,,,,,CID2957329,CCc1ccc(C(=O)NC(CC(C)C)C(=O)O)cc1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID2039682,O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,,CID2999958,Cc1ccc(S(=O)(=O)c2c(N)n(CC3CCOC3)c3nc4ccccc4nc23)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID3240827,CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2CCN(Cc3ccccc3)CC2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID5730275,O=C(CNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccccc1)OCc1ccccc1
+0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,CID646996,COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1
+,,,,,,,0.0,,,,,0.0,,,,,CID741366,COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1248985,Cc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCC1
+0.0,,0.0,,,,,,0.0,,,,,,,0.0,,CID2997871,CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2960157,COc1ccc(C(NC(=O)COc2ccc(Cl)cc2[N+](=O)[O-])c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2620992,COCCn1c(C)cc(C(=O)CSc2nc3ccccc3s2)c1C
+,,0.0,,,,,,,,,,,,,,,CID5308928,COc1cccc(N2C(=O)C3CCCN3C2c2ccc(N(C)C)cc2)c1
+,,,,,,,,,,,,0.0,,,,,CID1146881,COC(=O)Cn1nc(-c2ccc(C)c(S(=O)(=O)N(C)C)c2)c2ccccc2c1=O
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID2532053,Cc1ccc2c(CSc3nncs3)cc(=O)oc2c1
+,,,,,,,,,0.0,,,,,,,,CID4273233,Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(C)cc2)cc1
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID3240492,CC1(C)N=C(c2cccc(F)c2)C(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID1414755,CCCC(=O)Oc1cc2c(C(=O)OCC)c(C)n(C)c2c2ccccc12
+,,,,,,,,,,0.0,,,,,,,CID1150213,O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2
+0.0,0.0,,,,,,,,,,0.0,0.0,,,,0.0,CID3237037,O=C(CN1CCN(c2ccccn2)CC1)Nc1ccc(Oc2ccccc2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID719638,CCS(=O)(=O)N1CCN(C(=O)CCC2CCCC2)CC1
+,,,,,,,,0.0,,,,,,,,0.0,CID3236877,CC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F
+,,,,,,,,,,,,,,,,0.0,CID938834,CCc1ccc(CCC(=O)Nc2ccc(C)c(C)c2)o1
+,,,,,,,,,0.0,,,,,,,,CID198234,O=C(NCCc1ccc(O)cc1)c1ccc(Cl)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID844858,CC(C)c1ccccc1NC(=O)CCCC(=O)O
+,,,,,,,,,,,,,0.0,,,,CID834689,CCOc1ccc2ccccc2c1CNc1nnnn1CC
+,,,,,0.0,,,,,,,,,,,,CID2272379,Cc1cc(C)cc(NC(=O)C(=O)NCc2ccccc2)c1
+,,0.0,,,,,,0.0,,0.0,,,,,,,CID1095269,CNC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1
+,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,,,CID895998,COC(=O)c1ccccc1NC(=O)C1CCCC1
+,,,,,,0.0,,0.0,,,,,,,,,CID652592,CCOc1cccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2ccncc2)c1
+,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,,CID743969,CCCn1c(=N)n(CC(=O)c2cccs2)c2ccccc21
+0.0,0.0,0.0,,,0.0,,,,,,,0.0,,,0.0,0.0,CID2103434,O=C(COc1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1
+,,,,0.0,,,,,,,0.0,0.0,,,,,CID2942332,Cc1ccc(SC(C)C(=O)N2CCCC2)cc1
+,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,,CID651282,CC(=O)NC1CCN(C(=O)N2CCCC2)CC1
+0.0,0.0,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID647187,Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3cc(C)on3)sc2n1
+0.0,,,,0.0,,,,,,,,,,,,,CID648987,CC(=O)c1cc2c(cc1NC(=O)c1cc3nc(C(C)C)cc(C(F)(F)F)n3n1)OCO2
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID854438,O=C(COc1ccccc1)NC1CCN(Cc2ccccc2)CC1
+,,,,0.0,,0.0,,,,,,,,,,,CID3242265,CCSc1nnc(NC(=O)C2CCCCC2C(=O)OCC(F)(F)C(F)F)s1
+,,,,,,,,,,,,,,0.0,,,CID3148028,O=C(COc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1
+,,,,,,,,,,,0.0,,,,,,CID1487106,COc1ccc(-c2[nH]c(-c3cccc(C)c3)nc(=O)c2C#N)cc1
+,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID651400,Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)CC2CCCO2)cc1
+,,,,,,,,,,,,,,0.0,,,CID782996,CCCN(Cc1ccc(N(C)C)cc1)CC1CC1
+0.0,,,0.0,,0.0,,0.0,0.0,,,,,,,,,CID3242598,Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1C
+,,,0.0,,,,,,,,,,,0.0,,,CID653746,O=C(N1CCOCC1)C12CCC3CC(CC(C3)C1)C2
+,0.0,,,,,,,,,,0.0,,,,,,CID2583647,O=C(COc1ccccc1)Nc1nc2ccccc2[nH]1
+,,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,0.0,CID761227,O=C(Nc1ccccn1)c1ccc2ccccc2n1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID2908461,COc1ccc(OC)c(C2NC(=O)NC(C)=C2C(=O)Nc2ccc(C)cc2C)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID2058873,O=C(O)/C=C\C(=O)Nc1ccccc1C#Cc1ccc(Br)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID980159,COc1ccc(C(=O)Nc2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cs2)cc1
+,,,,,,,,,0.0,0.0,,,,,,0.0,CID2944698,CCCCN1C(=O)C(O)(CC(=O)c2ccccc2OC)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4042759,CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)C1=O
+,,,,,,,,,,,,,,,0.0,,CID646516,CC(=O)CCc1c(C)c2cc(C)ccc2[nH]c1=O
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID2846276,CC1CCCC(NC2CCCCNC2=O)C1
+,,,,,,,,,,,,0.0,,,,,CID658973,O=C(COc1ccccc1)Nc1nc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)cs1
+,,,,,,,,,,0.0,,,,,,,CID702044,CCC(=O)Nc1nnc(C(C)(C)C)s1
+,,,,,,,,,,,,,0.0,,,,CID2123294,c1nnc(NC2=NCCC2)s1
+,,,,,,,,,,,,,,0.0,,,CID2836586,NS(=O)(=O)c1ccc(Nc2ccc3nonc3c2[N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID2284706,O=C(NCCSc1ccccc1)c1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID2837216,O=C(N/N=C/c1ccc2c(c1)OCO2)C1COc2ccccc2O1
+,,,,,,,,,,,,0.0,,,,,CID645393,COc1ccc(OC)c(NC(=O)CN2CCN(C(=O)c3ccco3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID1365949,O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID11958392,O=C(NC1CCCc2ccccc21)c1ccccc1Br
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID661105,CCCCOc1ccccc1/C=c1\sc2nc(-c3oc4ccccc4c3C)nn2c1=O
+,,,,,,,,,,0.0,,,,,0.0,,CID751265,CCCC(=O)NCCc1nc2ccccc2n1C
+,,,0.0,,,,,,,,,,,,0.0,,CID9595213,COc1nc(OC/C(N)=N/O)nc(N2CCOCC2)n1
+,,,,,,,,,,,0.0,,,,,,CID2113218,COc1ccccc1N1CCN(C(=O)c2ccc(Cl)c(S(=O)(=O)NCc3ccco3)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2950440,CC12CCC(C(=O)NCc3ccccc3Cl)(CC1=O)C2(C)C
+,,,,,0.0,,,,,,,,,,,,CID11957177,N=C1/C(=C\c2ccc(SCc3ccco3)o2)C(=O)N=C2SC=NN12
+,,,0.0,,,,,,,,,,,,,,CID2966558,CC1=C(C#N)C(NC(=O)C2CC2)(C(F)(F)F)C(=O)N1
+,,,,,,,,0.0,,,0.0,,,,,,CID972878,CCOc1ccc(Cc2nnc(SCC(N)=O)n2C)cc1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,0.0,,0.0,,CID1379093,COc1ccc(-n2c(O)cc(=O)nc2SCC(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3224631,COc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)NC(C)(C)C)cc1
+0.0,,,0.0,,,,0.0,,,,,,,,0.0,,CID5309457,COc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)N=C3N=CNN32)cc1
+,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,CID2378290,COc1ccc(C(=O)O)cc1S(=O)(=O)NCCCN1CCCC1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID4837656,CCC(C)n1c(SCC(=O)NCc2ccco2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,,,,0.0,CID1247481,Cc1noc(C)c1C(=O)Nc1ccc(Cl)cc1C(F)(F)F
+,,,0.0,,,,,,0.0,,,,,,,,CID2970570,CC1CN(C(=O)c2ccncc2)CC(C)O1
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID1589729,COc1ccc(OC)c(S(=O)(=O)Nc2ccc(O)c(Sc3ncn[nH]3)c2)c1
+,,,,,0.0,,,,,,,,,,,,CID948858,O=C(N/N=C/c1ccc([N+](=O)[O-])cc1)c1ccc2nc[nH]c2c1
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,,0.0,CID663702,O=C1c2oc3ccccc3c(=O)c2C(c2cccc(Br)c2)N1Cc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID2238490,O=S(=O)(N1CCCCCC1)N1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,0.0,,,,,,,,,,CID2932721,COC(=O)c1cc(NC(=O)C2CC=CCC2C(=O)O)cc(C(=O)OC)c1
+,,,,,,,,,,,,,,0.0,,,CID1490269,O=S(=O)(Cc1cnc(Cl)s1)c1ccccc1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID3000010,CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(C(C)COC)c2C)[nH]1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1315075,N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccco1
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID1359240,CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1
+,,,,,,,,,,,,,,0.0,,,CID2222725,COc1ccc(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc1Br
+0.0,,,,,0.0,,0.0,,,,,0.0,,,,,CID3974873,O=C(c1ccccc1)n1nc(-c2ccccc2)nc1NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID7135,COc1ccccc1NC(C)=O
+0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID655139,CC(C)NC(=O)Cn1c(SCC(=O)N2c3ccccc3CC2C)nc2ccccc21
+,,0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,CID2998360,CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1C(C)CCCC1C
+,,,,,,,,,,,,,,0.0,,,CID2470173,O=C(Cc1ccccc1)NCC(=O)Nc1cccc(Br)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID2877823,S=C(NCc1ccccc1)NCC1COc2ccccc2O1
+,,,,,,,,,0.0,,,0.0,,,,,CID1303031,CCN1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID3236283,O=c1cc(N2CCc3ccccc3C2)[nH]c(=O)n1C1CCCCC1
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID3243124,COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1CCc1ccccc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1452339,Cc1ccc(C(=O)CSc2nnnn2C(C)C)c(C)c1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2428398,CN1CCC(N(C)C(=O)CCc2nc(=O)c3ccccc3[nH]2)CC1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID892523,O=C(O)c1ccc(-n2c(-c3ccccc3)n[nH]c2=S)cc1
+,,,,,,,,,,,,,,0.0,,,CID1477556,Cc1cccc(C(=O)Nc2ccnc(-c3cccnc3)n2)c1
+,,,0.0,,,,,,,,,,,,0.0,,CID841719,O=C(O)CCC(=O)NC1CCCCCCC1
+,,,,,0.0,,,,,0.0,,,,,,,CID2434556,CNC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2829371,CC(=O)N1N=C(c2ccccc2)CC1c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,0.0,,,CID937180,C(=N/n1cnc2ccccc21)\c1cccnc1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID650684,COCC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1
+,,,,,,0.0,,0.0,,,,,,,,,CID531389,COC(=O)C1CCCN1C(=O)c1cccs1
+,,,,,,0.0,,,,,,,,,,0.0,CID2386361,CCOc1ncccc1C(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID3239760,NC(=O)CSc1nc(-c2ccccc2Cl)ns1
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID647750,COc1cc2cc(CN(CCN3CCCC3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1OC
+,,,,,,,,0.0,,,,,,,,0.0,CID1080628,O=C(CCC1CCCCC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,0.0,,,,0.0,,,,,,,,CID932732,CCN(CC)C(=O)CSc1nnc(-c2ccco2)n1N
+,0.0,,,,,0.0,,,,,,0.0,,0.0,,0.0,CID655663,Cc1cc(NC(=O)C2CC2)ncc1NC(=O)C12CC3CC(CC(C3)C1)C2
+,,,,0.0,,,,,,,,,,,,,CID3244829,CCn1c(=O)cc(OCC(=O)NCc2cccnc2)c2ccccc21
+,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID977561,O=C(CSc1ncn(-c2ccccc2)n1)N1CCc2ccccc21
+0.0,,,,,,,,,,,,,,,,,CID684477,Cc1oc(/N=C/c2ccc(Cl)cc2Cl)c(C#N)c1C
+0.0,,,,,,,,,0.0,0.0,,,0.0,,,0.0,CID2202984,CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccccc3OC)cc2)no1
+,,,,,0.0,,,,,,,,,,,,CID4271607,Cc1ccn2c(/C=N/OCc3ccc(F)cc3)c(-c3ccc(Cl)cc3)nc2c1
+,,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID651112,COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccccc1C
+,,,,,,,,,,,0.0,,,,,,CID2929944,O=S(=O)(N1CCOCC1)n1cnc2ccccc21
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID3245392,Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCN(c4ccccn4)CC3)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID5342106,CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])o3)c(=O)n2C1c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID851392,CCOC(=O)c1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C
+,,,,,,,,,,,,,,0.0,,,CID804890,CCNC(=S)N1CCN(CCNC2=CC(=O)CC(C)(C)C2)CC1
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,CID661295,Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID2104657,Cc1cnc(C(=O)OCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cn1
+,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,CID648989,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1OC
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2416796,Cc1noc(C)c1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1
+,,,,,,,,0.0,0.0,,,0.0,0.0,,,,CID1169304,O=C1c2ccccc2-c2c1cccc2C(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,,,,,0.0,,,,,,,,CID2883152,C=C(C)c1cccc(C(C)(C)NC(=O)N2CC(C)OC(C)C2)c1
+,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,CID888110,O=C(O)Cc1ccc(NC(=O)c2cccs2)cc1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,CID805052,CC(C)C(=O)Nc1cccc(NC(=O)c2cccnc2)c1
+,,,,,0.0,,,,,,,,,,,,CID1282232,Cc1cc(/C=N/n2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1
+,,,,,,0.0,0.0,,0.0,,,,,0.0,0.0,,CID1186683,COc1ccc(OCC(=O)OCCN2C(=O)c3ccccc3C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3964480,CSCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(C(C)C)C(=O)C21
+,,,,,,,0.0,,,,,,,,,,CID11538542,C#CCN1C(C)=C(C(=O)OC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C1C
+0.0,,,,,,,,,,,,,,,,,CID5307505,Fc1cc(Br)ccc1Nc1nc2ccccc2n2nnnc12
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID3240243,O=C(C1CCCCC1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID854734,CC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1C
+,,,,,0.0,,,,,,,,,,,,CID2891847,COCCCN1C(=O)/C(=C/c2c(NCCc3ccccc3)nc3c(C)cccn3c2=O)SC1=S
+0.0,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID3237713,Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)N1CCC2(CC1)OCCO2
+0.0,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,CID647153,O=c1nc(Nc2ccccc2)[nH]c(N2CCCC2)n1
+,,,,0.0,,0.0,,,0.0,,0.0,,,,0.0,,CID661855,CCC1SC2=NC(C)=C(C(=O)OCCOC)C(c3ccc(C(=O)OC)cc3)N2C1=O
+,,,,,,,,,,0.0,,,,,,,CID1476731,O=C(c1ccc(F)cc1)n1ccc(-c2cnc(-c3ccccc3)s2)n1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID3243947,O=C(CCn1c(=O)oc2ccccc21)N1CCC2(CC1)OCCO2
+0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,,0.0,CID3240050,COc1ccc(CN2C(=O)c3cccnc3C2Nc2ccc(OC)c(Cl)c2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID780919,Cc1cnc(N)c2c(=O)oc3ccccc3c12
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID2107455,O=C(Cc1c[nH]c2ccccc12)Nc1nccs1
+,,,0.0,,,,,,0.0,0.0,,,,,,0.0,CID734737,Cc1cccc(CSc2nc(=O)cn[nH]2)c1
+,,,,,,,,,,,,,0.0,,,,CID2766604,C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID2413278,CN(CC(=O)Nc1ccccc1N1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID804149,COc1ccc(NC(=O)Nc2ccc3nc(C)c(C)nc3c2)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID3238853,CCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O
+,,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID3000000,CC(c1ccco1)N(C(=O)c1cccs1)c1ccccn1
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,0.0,CID2954536,CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1
+,,,,,0.0,,,0.0,,,,0.0,,0.0,,,CID664791,CN(C)c1oc(-c2ccco2)nc1C#N
+,,,,,,,,,,,,,0.0,,,,CID1242547,COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID1540890,Cc1ccc(N2CCN(C(=S)c3ccc(N(C)C)cc3)CC2)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID658037,CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cccs3)C2C1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID647658,Cc1ccccc1C1=NCC(=O)N(CC(=O)NCc2ccco2)c2sc3c(c21)CCCC3
+,,,,,,,,0.0,,,,,,,,,CID1553630,CCOC(=O)c1c(NC(=O)c2ccccc2Br)sc2c1CCc1ccccc1-2
+,,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID648450,O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1ccccn1
+,0.0,,,,,,,,,,,,,,,,CID5308410,CN(C)c1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1
+,,,0.0,,,,,,,,,,,,,,CID969516,COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O
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+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID647922,Cc1cc(NC(=O)c2oc3ccccc3c2C)ccc1-n1cnnn1
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+,,,,,,,,,,0.0,0.0,,,,,,CID871639,O=S(=O)(Cc1ccccc1)N1CCN(c2ccccc2)CC1
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+,0.0,,,0.0,0.0,,,,,,,0.0,,,,,CID665608,CCN1CCN(c2nc3sc4c(c3c3ncnn23)CC(C)CC4)CC1
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+,,,,,,,,,,,,,,0.0,,,CID9551410,C=CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21
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+,,,0.0,0.0,,,,,,0.0,,,,,,,CID2964934,COC(=O)c1[nH]c2c(c1C)C(=O)CC(c1cccs1)C2
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+,,,,,,,,0.0,,,,,,,,,CID1312505,CCc1cc2c(SCC(=O)c3ccc(Cl)s3)ncnc2s1
+,,,,,,,,,,0.0,,,,,,,CID653726,Fc1ccccc1C(c1nnnn1Cc1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID3152401,O=C(O)CNC1=NC2(CCCC2)Cc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID648131,CC1(C)CC(=O)C=C(N2CCNCC2)C1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID3240661,CC1CC(=O)N(CC(=O)NCc2ccco2)c2ccccc2S1
+,,,,,,,,,,,,,,0.0,,,CID1729061,CCCCNS(=O)(=O)c1ccc(OC)c(C)c1
+,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,,CID779290,O=S(=O)(Nc1ccc(N2CCOCC2)cc1)c1cccs1
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+,0.0,,,,,,0.0,,,,0.0,,,,,,CID4777443,COCCNC(=O)c1cc(-c2cccs2)on1
+,,,,,,0.0,,,0.0,,,0.0,0.0,,,,CID664215,COn1c(SCC(N)=O)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID2941738,CC12CCC(C(=O)Nc3nccs3)(OC1=O)C2(C)C
+,,,,,,,,,,,,,0.0,,,,CID884122,COC(=O)C1CCN(C(=O)Cc2ccccc2OC)CC1
+,,,,,,,,,,,0.0,,,,,,CID4393128,O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2
+,,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID646602,Cc1ccc(NC(=O)COC(=O)c2ccnn2C)cc1
+,,,,,,,,,,,,0.0,,,,,CID3237235,O=C(CCS(=O)(=O)c1cccs1)N1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID6620140,COC(=O)c1cc2ccsc2n1CC(=O)N(C)C1CCCCC1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID3241893,O=C(c1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
+,,0.0,,,,,,,,,,,,,,,CID656166,CCOC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21
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+0.0,,,,,,,,,,,,,,,,,CID665013,CC(=O)C(C(C)=O)c1c(Cl)c(O)c(O)c2c(C(=O)c3ccccc3)coc12
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+,,,,,,,,,,,,,,,0.0,,CID652306,O=[N+]1C2=C(CCCC2)N([O-])C12CCCC2
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID88916,Cc1nc(C)c(C(=O)Nc2ccccc2)s1
+,,0.0,,,,,,,,,,,,,,,CID5307634,COc1cccc(C2CC(c3ccc(C(C)C)cc3)N3NC(N)=NC3=N2)c1
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+,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,CID665798,CCC(O)CNc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CCCC3
+,,,,,,,,0.0,,,,,,,,,CID656338,O=C(CN(CCCN1CCOCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID970626,S=C(NCc1cccs1)Nc1cccc(Cl)c1Cl
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3509771,CCn1c(CCCNC(=O)c2cccs2)nc2ccccc21
+,,,,,,,,,0.0,,0.0,,,,,,CID2058099,O=C(NCCc1ccccc1)C(=O)NC1CCCCC1
+,0.0,,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,0.0,CID653935,Nc1nonc1N1CCCCC1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244795,CSCCOC(=O)C1=C(C)NC(=O)CC1c1ccccc1Cl
+,,,,,,,0.0,,,,,,,,,,CID1167476,CCOC(=O)N1CCN(C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1321588,COc1cc2c(cc1NC(=O)c1cccc(Br)c1)CCCC2
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID1081839,CCOc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1
+,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,0.0,,CID647505,COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C)c3C)CC2)c1
+,,,,,,0.0,,,,,0.0,,,,,,CID2949719,COc1ccc(Nc2oc(COc3cccc(C)c3)nc2C#N)cc1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID866388,CCN(CC)CCCn1c(=S)[nH]c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID729455,O=C(O)CNC1=NC2(CCCCC2)Cc2ccccc21
+,,,,,,0.0,,,,,,,,,,,CID9568007,Cc1cccc(-c2nnn(CC/C(N)=N/O)n2)c1
+,,0.0,,,,,,0.0,,,,,0.0,,,,CID2348069,O=C(CSc1nc2cc(Cl)ccc2s1)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID1146581,Cc1cc(=O)nc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)[nH]1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID2237148,O=S(=O)(Nc1cnc2ccccc2c1)N1CCCCCC1
+0.0,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,CID972242,CCOC(=O)c1ccc(NC(=O)Nc2cc(C)on2)cc1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID3239115,CCOC(=O)C1CCCN(c2ncnc3c2cnn3-c2cccc(C)c2)C1
+,0.0,,,0.0,,0.0,,,,,,,0.0,,0.0,,CID873011,Cc1ccc(S(=O)(=O)NCc2ccco2)cc1C
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID855499,COc1ccccc1-c1nnc(-c2ccc(N3CCOCC3)cc2)o1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID1923623,CCCCn1c(-c2ccco2)nc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1225284,Cc1c(C(=O)Nc2ccc(Br)cc2)cnn1C
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID714973,COc1cccc(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2617585,CCCSc1nnc(-c2cccc(S(=O)(=O)N(C)C)c2)n1-c1cc(OC)ccc1OC
+,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID2999232,CNS(=O)(=O)c1cccc(C(=O)OC2CCCCC2=O)c1
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID654928,CC1=C(C(=O)OC2CCCCC2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID903895,O=C(c1cccc(COc2cccc3ccccc23)c1)N1CCCC1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID888500,COc1ccc(C(=O)NC(=O)Nc2ncccc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID2745205,CC(C)NC(=O)c1cc(-c2cccs2)on1
+,,,,,,,,0.0,,,,,,,,0.0,CID3236956,Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2ccccc2)o1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,0.0,CID2997560,O=C(OCc1nc2ccc(Cl)cc2n1CCO)c1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,,,,,,,,,,CID5309000,Cn1cccc1Cc1nnc(SCC(=O)N2CCCC2)n1CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5349581,Cc1ccn2c(NC(=O)/C=C/c3ccccc3)c(-c3ccccc3)nc2c1
+,,,,0.0,,0.0,,,,,,,,,,,CID974915,COc1ccc(OCCC(=O)NC2=NCCS2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID661315,N#Cc1nc(COc2ccccc2F)oc1NCCCn1ccnc1
+,,,,,,,,,,0.0,,,,,,,CID892237,Cc1c(Br)cc(C(=O)NC2CCCCC2)c(C)c1C
+,,,0.0,,,1.0,,,,,,,,,,,CID659353,COc1ccc2c(c1OC)C(=O)N1c3ccccc3SC21
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID1213867,COc1ccc(N2CCN(c3nc(=S)n(-c4ccccc4)c(C)c3C(C)=O)CC2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5309091,CN(CC(=O)NCc1cccs1)S(=O)(=O)c1cccc2cccnc12
+,,,,,0.0,,,,,,,,,,,,CID3748097,Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550100,O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)NCc1ccc(F)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID9551256,O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NC1CCCCCCC1
+,,,,,,,,,,,,,0.0,,,,CID930578,CC(=O)c1sc2nc(-c3ccc(C)cc3)c3c(c2c1N)CCCC3
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID1245407,O=C(Nc1nc2c(s1)CCCC2)c1cccnc1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID5307159,O=C(Cn1cc2c(n1)CCCC2)Nc1cc(-c2cccc(Cl)c2)no1
+0.0,,,,,,,,,,,0.0,,,0.0,0.0,0.0,CID687960,Cc1cn(-c2ccc(Br)cc2)[nH]c1=O
+,,,,,,,,,0.0,,,,,,,,CID85814,COc1ccc(C(C#N)N2CCOCC2)cc1
+,0.0,,,,,0.0,,0.0,0.0,,,0.0,,,,,CID692198,O=C(Nc1ccc2c(c1)OCO2)Oc1ccccc1
+0.0,,,,,,0.0,,,,,0.0,,,0.0,,0.0,CID978127,Brc1cccc(-c2nnco2)c1
+,,,,,,,,,,,0.0,,,,,0.0,CID3243988,CCN(CCCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1cccc(C)c1
+,,,,,,,0.0,,0.0,,,,,,,,CID887692,CCOC(=O)c1c(NC(=O)OC)sc(C(=O)N(C)C)c1C
+,,,,,,,,,,,,,,,,0.0,CID2346481,COc1cc(C(=O)OCC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(OC)c1OC
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID3245420,N#CC1=C(N)Oc2nc(-c3ccccc3)[nH]c2C1c1cccnc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID717864,O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]c1=O
+,,,,0.0,,,,,,,,,,,,,CID3000051,CC(Oc1ccccc1)C(=O)OCC(=O)NC(=O)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID825279,CC(C)(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1
+0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,0.0,CID3241596,O=C(NCc1ccc(Cl)cc1)c1cc(-c2cccs2)on1
+,,,,,,,,,,,,,,0.0,,,CID16189685,COC(=O)c1ccc(CN2CCC(CO)(Cc3ccc(OC)cc3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2362600,CC(C)CC(=O)OCC(=O)Nc1ccccc1Sc1ccccc1
+,,,0.0,,,,,,,0.0,,0.0,,,,,CID3245679,O=C(C1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,,,0.0,CID894639,COc1cccc(OC)c1Oc1ccc(C(F)(F)F)cn1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID2772050,C=C(C)CC(NCc1ccco1)c1ccc(OC)cc1
+,,,,,,,0.0,,,,,,0.0,0.0,0.0,,CID887006,COC(=O)COc1ccc(C(=O)OC)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,,0.0,CID661904,O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCCN1CCOCC1
+0.0,0.0,,,,,,,,,,,,,,,,CID5309065,CCN1CCN(c2cc(C)c3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3n2)CC1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,,,CID567995,COc1ccc2[nH]c(C)c(C(=O)CN3CCOCC3)c2c1
+,,,,,,,,,,,,,0.0,,,,CID898984,CCN(CC)c1nc(=S)nc(NC(C)(C)C)[nH]1
+,0.0,,,,,,,,,,,,,0.0,,,CID589347,CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3C)n2)cc1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID749803,N#Cc1c2n(c3c(-c4ccccc4)ncnc13)CCC2
+,,,,,,,,0.0,,0.0,,,,,,,CID2883667,COC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
+,,,,,,,,0.0,,,,,,,,,CID973821,CC1=NC(C(F)(F)F)(C(F)(F)F)C(C#N)=C(C)N1
+,,,,,,,,0.0,,,,,,,,,CID1131081,Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccc(Cl)c2)c1C#N
+,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,,,,CID1084691,O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,,,0.0,,,,,CID5308216,CC1CCc2nn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)cc2C1
+,0.0,0.0,0.0,,,,,,,0.0,,,,,,,CID2997694,CCN(CC)S(=O)(=O)c1cccc(C(=O)NC(C(=O)Nc2nnc(C3CC3)s2)C(C)C)c1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID653193,Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID2395513,Cc1ccc(C)c(C(=O)Nc2cc(C)nn2-c2nc(C)cc(C)n2)c1
+0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,,,CID2114543,O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1267761,CCn1c(C)c(C(C)=O)c(N2CCN(c3cccc(Cl)c3)CC2)nc1=S
+,,,,,,,,,,,,,0.0,,,,CID875011,Cc1ccn2cc(-c3cccc(NC(=O)c4ccccc4)c3)nc2c1
+,,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID650575,CCOc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID751840,Cc1c(C)n(C(=O)CSc2nncn2C)c2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID616753,COCCNC(=O)C(=O)Nc1ccccc1C
+,,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID662793,Cc1ccc2cc(CNC(C)(C)C)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID5739379,CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1Oc1ccc([N+](=O)[O-])cn1
+,,,,,,,,,0.0,,,,,,,,CID3237164,Cc1ccc(-n2c(N)c(C(N)=O)sc2=S)c(C)c1
+,,,0.0,,,0.0,,,,,,,,,,,CID2186960,CN(C)CCCNC(=O)C1CCNCC1
+,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2955222,COc1cc(Br)cc2cc(C(=O)N3CCCCC3C)c(=O)oc12
+,,,0.0,,,,,,,,,,,,,0.0,CID2177684,CCC(=O)c1ccc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)c(F)c1
+0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,,CID866705,COc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1
+,,,,,,,,,,,,,0.0,,,,CID2169437,C=CCOc1ccc(Br)cc1/C=C1/SC(Nc2ccc(C(=O)O)cc2)=NC1=O
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID729749,C#CC(C)(C)NC(=O)c1ccccc1OC
+,,0.0,,,0.0,0.0,,,,,,,,,0.0,,CID666087,Cc1cc(=O)oc2cc(OCC(=O)NCc3cccnc3)ccc12
+,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID3238512,COC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1F
+,,,,,,,,,0.0,,,,,,,,CID652753,c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(C3CCCCC3)CC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID5741473,CCN1C(SCC(=O)NCC2CCCO2)=NN/C1=C1\C=Nc2ccccc21
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,CID3235583,O=C(O)CCCCCn1c(SCC(=O)N2CCCC2)nc2ccsc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID708747,O=C(CSc1nc2ccccc2o1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID1873833,CCc1ccc(CCC(=O)Nc2ncc(Cc3ccccc3Cl)s2)o1
+,,,,,,0.0,,,,,,,,,,,CID658092,CC(C)(C)S(=O)(=O)c1ccc2nc3c(n2c1)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID1480824,Clc1ccc(-c2cc(COc3ccccc3)on2)cc1
+,,,,,,,,,,,,,,0.0,,,CID798363,Cc1nn(C(=O)c2nn(C)cc2[N+](=O)[O-])c(C)c1Cl
+,,,,,,,,,0.0,,0.0,,0.0,0.0,,,CID1097838,Cc1cc(C)n2ncc(C(=O)NCCc3ccccc3)c2n1
+,,,,,,,,,,,,,0.0,0.0,,,CID1384107,COc1ccc(-c2nnc(NC(=O)CSc3ccccc3)s2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID2973977,O=C(NC1C=CS(=O)(=O)C1)c1sc2ccccc2c1Cl
+,,0.0,,,,,,,,,,,,,,,CID3236523,O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCc1ccc2c(c1)OCO2
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3245965,Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nonc23)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID750584,Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)o1
+,,,0.0,,,,,,,,,,,,,,CID5740802,N#C/C(=C/c1ccc(N2CCCCCC2)o1)c1ccc(F)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID891840,O=C1c2ccccc2C(=O)N1n1c(=O)[nH]c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID846350,NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2632966,O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2
+,,,,,,,,,,,,,0.0,,,,CID16187352,Cc1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2c(F)cccc2Cl)no1
+,,,,,,,,,,,0.0,,,,,,CID1369085,COc1cc(-c2nc3ccccn3c2/N=C/c2cc(OC)c(OC)c(OC)c2)ccc1O
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+,,,,,,,0.0,,0.0,,0.0,,,,,0.0,CID1051382,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCN(c2ccccc2F)CC1
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID2157597,CCCn1cc(S(=O)(=O)CC(=O)Nc2ccc(OCC)cc2)c2ccccc21
+,,0.0,,,,,0.0,,,,,,,,,,CID5389389,COc1cccc(/C(O)=C2/C(=O)C(=O)N(c3cc(C)on3)C2c2cccs2)c1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID834017,CSc1nnc(NC(=O)CCc2ccccc2)s1
+,,,,,,,,0.0,,,,,0.0,,,,CID2928149,COC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID5322280,Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3
+,,,,,,,0.0,,,,,,,,,,CID2873602,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OC(=O)c2ccco2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1977571,CCCCCCOC(=O)Cc1c(C)[nH]c(-c2ccccc2)nc1=O
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID3238596,CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21
+,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,CID3239973,CC(=O)N1c2ccc(S(=O)(=O)CCC(=O)O)cc2CC1C
+,,,,,0.0,,,,,,,,,,,,CID2885335,CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3cccc(OCCC)c3)cc(C(=O)O)c2)c1
+,,,0.0,,0.0,,,,,,,,,,,,CID742749,CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID790221,CCN(CC)C(=O)c1cc2cc(Br)ccc2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID16187175,O=C(C1=CC(c2csc3ccccc23)CC(OCc2ccc(CO)cc2)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,0.0,,0.0,,,,CID742356,Cc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
+,,,,,,,,,,,,,0.0,,,,CID2200149,COCCn1c(C)cc(C(=O)CSc2cc(C)c3ccccc3n2)c1C
+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,,CID1938673,c1ccc2[nH]c(NCCN3CCOCC3)nc2c1
+0.0,0.0,,,,0.0,,,,,,0.0,,,,,,CID663110,COc1ccc(CNc2nc3ccccc3n2CCN2CCCCC2)c(OC)c1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID3236459,COC(=O)c1[nH]c2c(c1C)C(=O)CCC2
+,,,,,,,,,0.0,,,,,,,,CID2841812,O=C(O)C1CCCCC1C(=O)NCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID808385,O=C(Nc1ccccc1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID2227771,CC(C)C(=O)NC(=S)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1337412,CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1C
+,,,,,,,,,,,0.0,,,,,,CID661371,CN(C)Cc1c(C#N)c2ccccc2n1C
+,,,,,0.0,,,,,,,,0.0,,,,CID4880974,O=C(Nc1ccc(N2CCOCC2)cc1)c1cn2ccccc2n1
+0.0,,,,,,,,,,,,,,,0.0,,CID4060872,COc1ccc(Br)cc1CNC(=O)C1CCC(=O)N1C(C)C
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID5309153,CCCc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
+0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,CID647491,COc1cccc(OC)c1-c1nnc(-c2cn(C)c3ccccc23)o1
+,,,,,,,,,,,,,,0.0,,,CID5102940,C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1014342,O=C(NC(=S)N1CCc2ccccc21)c1ccccc1Br
+,,,,,,,,,,,,,,0.0,,,CID12005415,COc1ccc(Nc2ccc(N3C(=O)CCCC3=O)cc2[N+](=O)[O-])cc1OC
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID3241445,CCOC(=O)CSc1nc2cc(C(=O)NCc3ccco3)ccc2c(=O)n1C1CCCCC1
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID3236288,COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID900744,CCc1cccc2c(C#N)cn(CC(=O)N3CCOCC3)c12
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID2451587,CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)NCCc2ccc(F)cc2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID850060,CCNS(=O)(=O)c1ccc(Br)c(OC)c1
+0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,0.0,CID655365,Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2352953,CCS(=O)(=O)c1ccc2oc(SCC(=O)N3CCCCC3)nc2c1
+,,,,,,,,,,,0.0,,,,,,CID999515,CCn1cc([N+](=O)[O-])c(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1
+,,,,,,,,,,,,0.0,,,,,CID5291857,C/C(=C\c1ccco1)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
+,,,,,,,,,,0.0,,,,,,,CID1097136,Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3=O)cc1
+,,,,0.0,,,,,,0.0,0.0,,,,,0.0,CID3240261,COc1ccccc1CNC(=O)CC(NS(=O)(=O)c1ccc(C)cc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID4087960,CC(Sc1nncn1C)C(=O)Nc1nnc(-c2ccccc2)s1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID644911,c1cncc(CNc2c3c(nc4nnnn24)CCCC3)c1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID2512552,O=C(O)CN1C(=O)CNC1=O
+,,,,,0.0,,,,,,,,,,,,CID1836529,COc1ccc(NC2=NC(=O)/C(=C\c3ccco3)S2)cc1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID88779,c1ccc(SCCc2ccncc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1934941,Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/NC(=O)Cc2ccccc2)o1
+,0.0,0.0,,,,0.0,,,,,,,,0.0,,0.0,CID700337,CSc1nc2ccccc2n1CC(=O)Nc1ccc(C)c(C)c1
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,,,0.0,CID651740,Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)o2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID881163,O=C(NCc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl
+0.0,,,,,,0.0,,,0.0,,,0.0,,,,,CID648594,CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)CC1
+,,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID663727,CCc1ccc(OCC(=O)Nc2ncc3c(n2)CC(C)(C)CC3=O)cc1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3236975,CCOc1cc(N2C(=O)CC3CS(=O)(=O)CC32)c(OCC)cc1NC(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2883590,Cc1ccc(N2C(=O)CSC2c2ccc(Cl)cc2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID609295,Clc1ncnc2c1oc1ccccc12
+,,,,,,,,,,0.0,,,,,,,CID2840102,C=CCNCc1cccn1-c1sc2c(c1C#N)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2573775,Cc1cc(C)cc(NC(=O)Cn2nnc3ccccc3c2=O)c1
+0.0,0.0,,,0.0,,0.0,,,,,,0.0,,0.0,,,CID665376,O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1cccs1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID1269633,COc1ccc(NC(=O)c2ccc(COc3ccccc3Br)o2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID778083,c1ccc(Nc2nc(N3CCNCC3)nc(N3CCOCC3)n2)cc1
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID830186,Clc1ccc(Cn2ncc3c(N4CCCCC4)ncnc32)cc1
+,,,,,,,0.0,,,,,,,0.0,,,CID5308265,CCOC(=O)N1CCN(C(=O)Cn2ncc3ccccc32)CC1
+,0.0,,,,,,,,,,,,,,,0.0,CID729410,CSc1nc(C)c(Cl)c(C)c1C#N
+,,,,,,,,,0.0,,,,,,,,CID804374,O=C(Nc1ccc2nsnc2c1)N1CCCCCC1
+0.0,,,,,,,,,,,,,,,,,CID892017,c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)nc1
+,,,,0.0,,0.0,,,0.0,,,,,,,,CID2335980,COc1cccc(NC(=O)COC(=O)c2ccco2)c1
+,0.0,,,,0.0,,,,,,,,,,,,CID654358,COCCCn1c(SCC(=O)N2CCCCC2C)nnc1-c1ccco1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID565233,O=C(Nc1ccc(OC(=O)c2ccco2)cc1)c1ccco1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID2269665,Cc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1
+,,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID660127,CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(CSc3ccc(C)cc3)c12
+,,,,,,,,,0.0,,,,,,,,CID2468617,CCSc1nnc(Nc2ccc(C)cc2)s1
+,,,,,,,,0.0,,,0.0,,,,,,CID15807,CCc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID7217798,CCOc1ccc(C(=O)Nc2cccc(-c3ccc4nncn4n3)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3169282,CC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc2cccc(C)c2nc1Cl
+,,,,,,,,,,,,,0.0,,,,CID9550134,Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID870541,CC(C)(C)C(=O)CC(=O)Nc1ccc(Cl)c(N)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID1774139,CC(C)(C)NC(=O)CS/C(=N\c1ccc(F)cc1)NC#N
+0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID661452,N#CC1=C(SCC(=O)c2ccc(Cl)cc2)NC2=C(C(=O)CCC2)C1c1ccco1
+,,,,0.0,,,,,,,,,,,,,CID3244949,COC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O
+,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,,,,0.0,CID661508,O=C(NC1CCCCC1)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,,,,,,,,0.0,,,,0.0,,,CID864707,Cc1cc2nnc(SCC(=O)OC(C)C)n2c2ccccc12
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,0.0,CID646389,COc1cccc2cc(-c3nnc(SCC(=O)Nc4nc(C)cs4)n3C)oc12
+,,,,,,,,,,,,0.0,,,,,CID5307438,COc1ccc(OC)c(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID2368420,COCCOC(=O)c1cc(C(=O)c2cc(F)ccc2O)coc1=N
+,,,,0.0,0.0,,,,,,,,,,,,CID3954409,Cc1cc(=O)oc(C)c1C(=O)N1CCc2c([nH]c3ccccc23)C1C(C)C
+0.0,0.0,,0.0,,,0.0,0.0,,,,,0.0,0.0,,0.0,,CID713037,CCOC(=O)C1CCN(C(=O)Nc2ccccc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID9500782,COc1ccc(C(=O)N/C(=C\c2cccc3ccccc23)C(=O)NCCc2c[nH]c3ccccc23)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID5591338,Cc1nnc2n1NC(=C1C=CC(=O)C=C1)c1ccccc1-2
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3245685,CC(C)(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12
+,,,,,,,,0.0,,,,,,,,,CID1333712,O=S(=O)(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccccc1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,0.0,,CID2832357,COC(=O)C(NC(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID898832,COc1ccc(CC(=O)NCc2cccs2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID9551525,COc1ccccc1CNC(=O)C(CC(C)C)NC(=O)C1CCC(C)CC1
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID667089,O=c1nc(NCc2ccccc2)[nH]c2c1CCCC2
+,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2615672,CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccc(C)cc2)c(C(=O)OCC)c1C
+,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,,,CID972733,N#Cc1c(NC(=O)CSc2ncn[nH]2)sc2c1CCCCC2
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID660778,c1ccc(SCc2nc3ccccc3[nH]2)nc1
+,,,,,,,,,,,,,0.0,,,,CID2515781,COc1cc(CC(=O)NCc2cccs2)cc(OC)c1OC
+,,,,0.0,,,0.0,0.0,,,,,0.0,,,,CID2552345,COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,CID2997753,CCOc1ccccc1C1CC(=O)NC(SCC)=C1C#N
+,,,,,,,,,,,,,,0.0,,,CID4296023,N#Cc1c(NC(=O)C2CCCO2)sc2c1CCCCCC2
+,,0.0,,,,,0.0,,,,,,,,,,CID661980,CC(C)Cn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2
+0.0,,,,0.0,,,,,,,,0.0,,,0.0,,CID2947484,Cn1c(SCc2ccccc2)nnc1-c1ccc2c(c1)OCO2
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID972346,Cc1c(C(=O)N2CCN(C)CC2)oc2c1C(=O)CC(C)(C)C2
+0.0,,,,,,,,,,,,,,,,,CID5309269,CCN1CCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)CC1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID659443,CCOC(=O)C1C(C)=CC(=O)CC1c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1333416,CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID2517958,CCCNC(=O)Cc1ccsc1
+,,,,,,,,,,,,0.0,,,,,CID1072880,CCOC(=O)N1CCN(C(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)CC1
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID718812,Brc1ccc(-c2noc(CCc3ccccc3)n2)o1
+,,,,,,0.0,,,,,,,,,0.0,,CID1620818,Cc1ccc(CN2C3=NC(=O)CN3c3ccccc32)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID660904,Cc1cccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)c1
+,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2132989,CCOC(=O)c1sc(NC(=O)CSc2nnnn2-c2ccccc2)c(C(=O)OCC)c1C
+,0.0,,0.0,,,,,,,,,,,,,,CID2970706,Cc1sc(NC(=O)C2CCCO2)c(C#N)c1C
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+,0.0,0.0,,,,,,,,,,,,,,,CID661458,CCSc1nnc(N(CCC#N)CCC#N)s1
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+,,,,,,,,,,,0.0,,,,,,CID989402,COc1ccc(NC(=O)CSc2nc(=O)c(-c3ccccc3)c(N)[nH]2)cc1
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+0.0,,,,,,,,,0.0,,,,,,,,CID662187,CC(C)CN1C(=O)NC(NC(=O)c2cccnc2)(C(F)(F)F)C1=O
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+,,,,,,,,,,,,,0.0,,,,CID1237479,O=C(CSCc1ccc(Cl)cc1)NN=C1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID3735347,CC1(C(=O)C2=NNCC2c2ccccc2)CO1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID2243497,Cc1c(/N=C/N2CCOCC2)c(=O)n(C)c(=O)n1C
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+,,,,,0.0,,,,,,,,,,,0.0,CID645681,COc1ccccc1OCCn1c(C(C)O)nc2ccccc21
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID3242684,CC(C)CNC(=O)c1cc(-c2ccc(Br)cc2)on1
+,,,,,,,,,,,,,,0.0,,,CID1374508,N=C1SCC(=O)N1Cc1ccccc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1009328,CC(C)OC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2c1CCCC2
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID647070,Cc1ccc2cc(CN(CC3CCCO3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C
+,,,,,,,0.0,,,,,0.0,,,,,CID3236847,Cc1ccc(C)c(N2CCN(C(=O)Cn3cccc3)CC2)c1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID3136183,CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID974710,COc1ccc(-c2noc(CSc3ccc(C)cc3)n2)cc1
+,,0.0,,,,,,,,,,,,,0.0,,CID2124466,CCN(C(=O)CN1CCN(c2ccc(O)cc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,0.0,,,0.0,,,,,0.0,,,,,0.0,,CID5307269,COC(=O)c1ccc2c(=O)n3c(nc2c1)SCC(c1ccccc1)=N3
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+,,,,,0.0,,,,,,,,,,,,CID2276063,Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID1438309,Cc1ccc(C(=O)C2CCN(CC(=O)Nc3nc(C)cs3)CC2)cc1
+0.0,0.0,0.0,,0.0,,,,,0.0,,,,,0.0,,,CID650867,COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(Cl)cc3)o2)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID662458,CCN(CC)C(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID892578,CN(C)c1ccc(CNn2cnnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2879226,CCC(C)c1ccccc1OCC(=O)Nc1cc(C(=O)O)cc(C(=O)O)c1
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID5309038,Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)noc2C)cc1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID923198,COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)C1
+,,,,,,,,,,0.0,,,,,,,CID929998,Cc1ccc(-c2nc(SCC(N)=O)c(C#N)c3c2CCCC3)cc1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID544979,C=CCNS(=O)(=O)c1nc(C)c(Cl)c(C)c1C#N
+,,,,0.0,,,,,0.0,,,,,,,,CID662545,Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N
+,,,,,,,0.0,,0.0,,,,,,,,CID2084354,COc1ccc(COC(=O)c2ccc(N3CCCC3=O)cc2)cc1F
+,,,,,,,,,,,0.0,,,,,,CID2297511,CCN(CC)CCCOc1ccc(C)cc1Br
+,0.0,,,,,,0.0,,,,,,,,,,CID3238385,Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3c(C)cc(C)nn23)cc1
+,,,,,,,0.0,0.0,,,,,,0.0,,,CID2148477,Cn1c(NC(=O)CCC2CCCCC2)cc(=O)n(C)c1=O
+,,,,,0.0,,,,0.0,,,,,,,,CID2193223,O=C(Nc1cccnc1)c1ccc(COc2ccccc2Cl)o1
+,,,,,,,,,,,,,0.0,,,,CID4135632,CCOc1ccc(OCc2ccc(C(=O)N3N=C(C(F)F)CC3(O)C(F)F)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID872684,Cc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1
+0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,,CID715636,Cc1cc(Cl)ccc1OCC(=O)Nn1c(C)ccc1C
+,0.0,,,,0.0,,,,,0.0,,,,,,,CID651277,CCC(=O)Nc1cccc(NC(=O)CSc2nnc(C(C)C)n2CC)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID2400746,O=C(c1cn[nH]c1)c1cc(F)ccc1O
+,0.0,,,,,,0.0,,,,,,0.0,,0.0,,CID760357,CCCn1c(CNc2ccccc2O)nc2ccccc21
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID5310216,O=C(Cn1cnc2c(nnn2Cc2ccccc2)c1=O)N1CCN(c2ccccc2)CC1
+,0.0,,,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,CID925202,Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccncc2)cc1
+,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,0.0,,CID836498,COCC(=O)Nc1ccc(C)c(Cl)c1
+,,,,,,,,,,,0.0,,,,,,CID9550893,Cc1ccc(NC(=O)CCn2nc(C)cc2C)cc1
+,0.0,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,0.0,CID2926629,CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2039005,Cc1nc2c3cc(F)ccc3n(Cc3ccccc3)c2s1
+,,,,,,,,,0.0,,,,,,,,CID854225,Nc1c(C(=O)c2ccccc2)oc2ccccc12
+,,,,0.0,,,0.0,,,,,,0.0,,,0.0,CID655325,C=CCOC(=O)C1=C(C)NC2(O)c3ccccc3C(=O)C12O
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID1293958,CCS(=O)(=O)Nc1ccc(-c2ccc(NS(=O)(=O)CC)c(OC)c2)cc1OC
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID717539,Cc1cc(NS(=O)(=O)Cc2ccccc2)no1
+,,,,,,0.0,,,,,,,,,,,CID619280,CCOC(=O)C1(N(CC)CC)Sc2cc(C)ccc2NC1=O
+,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,0.0,CID782414,COc1ccc(CCN(C)Cc2ccncc2)cc1OC
+,,,,,,,,,,,,0.0,,,,,CID868124,CC(=O)Nc1ccc(OCC=C(Cl)Cl)cc1
+,,,,0.0,,,,,,,,,,,,,CID2174083,COc1ccccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID1381359,O=C(NNC(=S)Nc1cccc2ccccc12)c1cccc(Br)c1
+,,,,,,,,,,,,,,,0.0,0.0,CID2961820,O=C1CCCN1CCC1CCN(C2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1
+,,,,0.0,,,,0.0,,,,,,,,,CID2907785,CCSc1sccc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CC(C)(C)C2
+,,0.0,0.0,,,,,,,,,,,,,,CID3240270,CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(/C=N/O)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2865032,CCCCCOCC1CC(C/C(C)=N/Nc2nc(-c3ccccc3)cs2)C(=O)O1
+0.0,,,,,,,,0.0,,,,,,,,,CID1136482,O=C(COC(=O)c1ccc(Br)o1)Nc1nc2ccccc2s1
+,,,,,,,,,,0.0,,,,,,,CID1839198,O=C(O)c1ccc(-n2c(-c3cc(-c4ccco4)[nH]n3)n[nH]c2=S)cc1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID645689,Cc1cccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)c1
+0.0,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID600165,COC(=O)c1ccc(NC(=O)CN2CCN(c3ccccc3)CC2)cc1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2982734,COc1cc2c(cc1OC)C(c1ccncc1)CC(=O)N2
+,,,,,,,,,0.0,,,0.0,,,,,CID656377,COc1ccc(N(CC(=O)NC2CCCC2)C(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID665921,COc1ccc(CCn2c(C)cc3c(c2=O)C(c2ccc4c(c2)OCO4)C(C#N)=C(N)O3)cc1OC
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2461704,CCN(CC(=O)Nc1ccccc1Br)Cc1nc(=O)c2ccccc2[nH]1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID2357965,Cc1cc(=O)nc(SCC(=O)N2CCCCCC2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID2171457,COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OCc1ccc(C(=O)O)cc1
+,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,,CID1803129,COCCSc1ccccc1C(=O)Nc1nccs1
+,,,,,,,0.0,,,,0.0,,,,,,CID5748605,COc1ccc(-c2coc3cc(O)ccc3c2=O)cc1OC
+,,,0.0,,,0.0,,,,,,,,0.0,,,CID1953474,CCCCCCc1c(O)nc(SCC(=O)O)[nH]c1=O
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID2264847,CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID667413,O=c1cc(CSc2ccccn2)[nH]c(N2CCN(c3ccccc3)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID1477578,O=S(=O)(c1ccc(Cl)cc1)n1ccc(-c2cccc(OCc3c(F)cccc3Cl)c2)n1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID1278510,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(C(=O)c2ccc(F)cc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID4559027,CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCO4)n(-c3ccc(F)cc3)c(=O)c2S1
+,,,,,,,,,,,,,,0.0,,,CID2212536,O=S(=O)(Nc1ncccn1)c1ccc(NC(=S)NCc2ccco2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID663495,COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)C3c3ccncc3)oc12
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID2962724,CCOc1ccc(N2C(=O)CC(NCCc3ccncc3)C2=O)cc1
+,0.0,,,,0.0,,,,,,,0.0,,0.0,,,CID259998,Cc1cccc(-c2nnc(-c3ccccc3)o2)c1
+,,,,,,,,,,0.0,,,,,,,CID9551403,Cc1nc2ncnn2c(C)c1CCC(=O)N1CC(C)CC(C)C1
+,,,,,,,,,,,,,0.0,,,,CID1559125,Cc1ccc(C(=O)Oc2oc(-c3ccccc3)nc2/C=N/c2ccc(N(C)C)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2877903,CCOC(=O)C(C(=O)Nc1nccs1)C1CCCCC1
+,,,0.0,,,,,,,,,,,,,0.0,CID5309802,O=C(NCc1ccc2c(c1)OCO2)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID1853627,COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1
+0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,0.0,,CID807289,CC(C)CC(=O)Nc1ccc2oc(-c3cccnc3)nc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID5309160,Cc1ccc(N2CCN(c3cc(C)nc4nc(C)nn34)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID12005250,O=C1C2CC=CCC2C(=O)N1c1ccc(NCCc2ccc(Cl)cc2)c([N+](=O)[O-])c1
+,,0.0,,,,,,,,,,0.0,,,,,CID5390084,CC1=C(C(=O)NCc2ccccc2)C(c2ccc(C)o2)N2NC=NC2=N1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID2867514,COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID645559,Cc1cccc2cc(C#N)c(NCCCn3ccnc3)nc12
+,,,,,,,,,,,,0.0,,,,,CID645612,CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1n[nH]c(C)c12
+,,,,,,,,,,,,,,0.0,,,CID2785707,CC1(C)CC(=O)C(Br)=C(O)C1
+,,,0.0,,,,,0.0,,,,,,,,,CID661564,CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1ccc(C)o1
+,,,,,,,,,0.0,,,0.0,0.0,,0.0,,CID2955868,COc1ccc(NC(=O)N2CC(C)OC(C)C2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID948314,Cc1c(NCc2cc(Cl)ccc2O)c(=O)n(-c2ccccc2)n1C
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2082174,Cn1nc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1=O
+,,,,,,,,,,,,,,0.0,,,CID973904,Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C
+0.0,,0.0,0.0,0.0,,,0.0,,,,0.0,0.0,,,,0.0,CID2107456,COc1ccc(CC(=O)Nc2nc(C)cs2)cc1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID143191,CCN(CC)c1ccc2cc(C=O)c(=O)oc2c1
+,,,,,,,,,,,,,,,,0.0,CID3239969,O=C(NCCN1CCN(Cc2ccccc2)CC1)C1CC(=O)N(C2CCCC2)C1
+,,,,,,,,,,,,,0.0,,,,CID2573541,O=C1CCCN1CCCNS(=O)(=O)c1cccc(F)c1
+,,,,,,,,0.0,,,,,,,,,CID9551179,CCCCN(CC)CCCNC(=O)Cn1nc(Cc2cccnc2)c2ccccc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID2232505,C=CCN1C(=O)/C(=C/c2ccc(N(C)C)cc2)S/C1=N/c1nnc(CC)s1
+,,0.0,,,,,,,,,,,,,,,CID2969704,C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O
+,,,,,0.0,,,,,,,,,,,,CID1231181,O=C(N/N=C/c1cccc([N+](=O)[O-])c1)c1cc2c(ccc3ccccc32)o1
+0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID649655,CCOc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID7080712,O=c1cc(N2CCN(c3ccc(F)cc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID663048,CCCCc1cc(=O)oc2cc(C)cc(OC(C)C(=O)O)c12
+,,,,,,,,,,,,,0.0,,,,CID555746,O=S(=O)(Nc1ccc(Cl)cn1)c1ccccc1
+,,,,,,,0.0,,0.0,,,,0.0,,,0.0,CID1332213,COC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2227567,CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1
+,,0.0,,0.0,,,,,,,,,,,,,CID894026,CCNS(=O)(=O)c1ccc(OC)c(C)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID272861,O=C(O)c1ccccc1C(=O)N(Cc1ccccc1)Cc1ccccc1
+0.0,,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID977678,CCOC(=O)c1ccc(CSc2nnc(N)s2)cc1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID2974112,COC(=O)COc1ccc(NC(=O)C2CCCO2)cc1
+,,,,,,,,,,,0.0,,,,,,CID866901,Cc1cccc(NS(=O)(=O)c2c(C)n[nH]c2C)c1
+0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID1356461,Cc1c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)CC4)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,0.0,,,,,CID3236843,O=C(NCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
+,,,0.0,,0.0,,,,,,,0.0,,0.0,,,CID3235828,COc1ccc(OC)c(-c2cc(C(=O)NCc3ccco3)no2)c1
+,,,,,,,,,,,,,0.0,,,,CID842577,O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1
+,,,0.0,,,,,,,,,,,,,0.0,CID813457,Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID918469,Cn1ncc(C#N)c1/N=C/N1CCCCC1
+0.0,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID3337780,CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1CCCc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID3243343,CCOC(=O)N1CCN(C(=O)C(C)n2nc(C)n3c(cc4sccc43)c2=O)CC1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,CID648548,Cc1csc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)n1
+,,,,,,,,,,,,,0.0,,,,CID16195301,O=C(N/N=C/c1ccco1)c1ccc(NC(=O)c2ccccc2Cl)cc1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID3240405,CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C(N)=O)CC4)c(=O)c3c2)cc1
+,,,,,,,0.0,,,,,,,,,,CID270247,CC(=O)N1C(=O)C2(Nc3ccccc3N2)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID2768895,O=c1cc(Cl)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl
+0.0,,,,0.0,,0.0,,,,,,0.0,0.0,0.0,,,CID765575,O=C(Nc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1505221,Cc1ccccc1COC(=O)c1nn(-c2ccccc2)nc1N
+,,,,,0.0,,,,,,,,,,,,CID2888495,COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1COc1ccccn1
+0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,0.0,0.0,CID649567,CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1Cl
+,,,,,0.0,0.0,,,,,,,,0.0,,,CID2104326,CCOC(=O)c1[nH]c(C)c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C
+,,,,,,,0.0,0.0,,,,,,0.0,,,CID651638,CCOc1cc(NC(=O)c2ccco2)c(OCC)cc1NC(=O)c1cc(OC)c(OC)c(OC)c1
+0.0,,,,,,,,,,,,0.0,,,,,CID667347,COC(=O)c1ccc(C2C(C#N)=C(N)Oc3cc(C)n(C)c(=O)c32)cc1
+,,,,,,,,,,,,,,0.0,,,CID1503576,O=[N+]([O-])c1ccc(COc2cccnc2)cc1
+0.0,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0,CID660119,COc1ccccc1N1CCN(CC(=O)c2c(C)[nH]c3cc(C)ccc23)CC1
+,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID3236087,COc1cccc(CNC(=O)CCNS(=O)(=O)c2cccs2)c1
+,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,,CID647880,CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,CID3241083,Cc1cc(C)c(S(=O)(=O)NCc2cn3c(C)csc3n2)c(C)c1
+,,,0.0,,,1.0,,,,,,,,,,,CID5389302,Cc1ccc(C2/C(=C(\O)c3cnn(-c4ccccc4)c3C)C(=O)C(=O)N2CCN(C)C)o1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID649263,Cc1cccc(NC2=NC(C)(C)N=C(N)N2)c1C
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3238687,CCOC(=O)C1CCCN(C(=O)c2cn(C)c(=O)c3cc(OC)c(OC)cc23)C1
+,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,,CID3120898,COc1ccc(OC)c(C2CC(=O)NC(SC)=C2C#N)c1
+,,,,,,,,,,,,,0.0,,,,CID5218194,CC(OC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(N)=O
+,,,,,,,,,,,0.0,,,,,,CID1090030,Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID1050335,O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CCCC1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308958,Cc1ccccc1Cn1ccc(NC(=O)c2onc(C)c2Cl)n1
+,,,,,0.0,,,,0.0,0.0,0.0,,,,,,CID2961150,COc1ccc(-c2nnc(SC(C)C(=O)Nc3nccs3)n2Cc2ccccc2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2128420,COC(=O)c1ccc(/C=N/NS(=O)(=O)c2cc(C)ccc2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID660485,O=C1C=C(NCCNc2c(F)c(F)c(CO)c(F)c2F)CCC1
+,0.0,0.0,,,,,,,,,,,,,,,CID5310005,Cc1cc(NC(=O)CSc2ccc3nnc(-c4cccnc4)n3n2)no1
+,,,,,0.0,,,,,,,,,,,,CID2888035,Cc1ccccc1N1CCN(C(=S)c2ccc(OCc3ccccc3)cc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID970901,COc1ccc(NC(=O)N2CCN(S(C)(=O)=O)CC2)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID5389926,CC(=O)N1CCN(c2ccc(N/C=C3\C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)CC1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID3244508,CCNS(=O)(=O)c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID647665,O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)NC1CCCC1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID5201818,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)N2CCCC2)cc1
+0.0,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,CID645557,Cc1ccc(OCc2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)cc1
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,0.0,0.0,CID651272,NC(=O)CSc1nnc(COc2ccccc2)n1CCc1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID1302403,CC(C)Oc1c(Cl)cc(CNC(C)(C)CO)cc1Cl
+0.0,,,,,,0.0,0.0,,,,,,,,,0.0,CID1379853,c1coc(-c2nnc(-c3ccc4c(c3)OCO4)o2)c1
+0.0,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID662942,COc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1
+,,,,,,,,,,,,,0.0,,,,CID16189359,Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID7197607,CCn1c(SCc2ccc(F)cc2)nc2c(c1=O)SCC2
+,0.0,,0.0,,,,,,,,,,,,,,CID5307401,CC1CCCCN1S(=O)(=O)c1coc(C(N)=O)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID9550078,N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3782132,C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2)=C(C#N)C1c1ccco1
+,,,,,,,,0.0,0.0,,0.0,,0.0,0.0,,,CID882659,CC(=O)Oc1ccc2nc(-c3cccs3)oc(=O)c2c1
+,,,,,,,,,,,,,0.0,,,,CID2119583,COc1ccc(C(=O)NCC(=O)OCC(=O)NCCC2=CCCCC2)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID3240141,COc1ccc(OC)c2sc(N3CCCCC3)nc12
+,,,,,,,,,,,0.0,,0.0,,,,CID727693,COc1ccc2c(C)cc(SCc3c(C)noc3C)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID2296237,O=C(C1CC1)N(CCN(Cc1ccccc1)C(=O)C1CC1)Cc1ccccc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID3238375,COc1ccc(OC)c(C2CC(=O)Nc3cc(OC)c(OC)c(OC)c32)c1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2901655,Cc1ccc(OCCNC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID3242937,O=C(NCc1ccco1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2920207,CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID9550497,COCCNC(=O)C(=O)Nc1cccc(Br)c1
+,,,,,0.0,,,,,,,,,,,,CID601464,NNc1nnc(-c2ccccc2)c(-c2ccccc2)n1
+,,,,,,,,0.0,,,,,,,,0.0,CID3237631,CCOC(=O)N1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)CC1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID3243776,CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCC4(CC3)OCCO4)cc21
+,,,,,0.0,,,,0.0,0.0,,,0.0,0.0,,,CID2472504,Cn1c(Cc2ccccc2)nnc1SCC(=O)c1cccs1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID661437,O=c1nc[nH]c2cc(-c3ccccc3)sc12
+,,,,0.0,,0.0,,,,,,,,,,,CID5050440,COc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,CID2408766,c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1
+0.0,,0.0,,0.0,,,,0.0,,,0.0,,,,0.0,,CID992741,Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,,CID652216,CCCCn1c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccccc21
+0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,0.0,,CID894049,CCCn1nnc(NC(=O)c2ccc(Br)cc2)n1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID653836,CN1CCN(S(=O)(=O)c2ccc(Cc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)cc2)CC1
+0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,0.0,CID2695467,COc1ccc(NC(=O)COn2nnc3ccc(Cl)cc32)cc1OC
+,0.0,,,,,,0.0,0.0,,0.0,,,,0.0,,0.0,CID228532,CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID3244791,CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
+,,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,CID2206372,CCCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,,,,0.0,,,,,,,,,,,CID651967,Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCc4ccccc4C3)cc12
+0.0,,,,,,,,,,,,,,,,,CID3243772,O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1CCC(=O)N1Cc1ccccc1Cl
+,,0.0,,,,,,0.0,,,,,,,,,CID969555,Cc1ccc(S(=O)(=O)N2CCN(C(=O)N(C)C)CC2)cc1C
+0.0,,,,,,0.0,,0.0,,,,0.0,,,,,CID660994,O=C(N1CCCCC1)C12CC3CC(C1)CC(C(=O)N1CCCCC1)(C3)C2
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID1307318,COC(=O)c1cc(Nc2ncnc3c2cnn3-c2ccccc2)cc(C(=O)OC)c1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,,CID650211,COc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1
+,,,,,,0.0,,,,,,,,,,,CID3244056,COc1ccc(-c2nnc3ccc(SC(C(C)=O)C(C)=O)nn23)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID658124,[O-][N+]1=C(c2cccs2)CN(O)C1
+0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID3241160,CCOC(=O)CCC(=O)NCc1ccc2[nH]c(C)cc2c1
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID788284,CCCC(=O)C1=C(Nc2ccccc2OC)CC(C)(C)CC1=O
+0.0,,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,CID2998709,CCOc1ncccc1C(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2243581,COC(=O)c1ccc(Cl)c(NC(=O)CN2CCC(C)CC2)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID648300,CN(C)CCNc1c2c(c(C#N)c3nc4ccccc4n13)CCCC2
+,,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,,CID782348,CCOC(=O)C1CCN(Cc2ccc(C(=O)OC)cc2)CC1
+,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID2230213,CS(=O)(=O)N(CC(=O)NCc1cccnc1)Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID16193598,CCS(=O)(=O)C1=NN2C(=N)/C(=C\c3ccc(SCc4ccco4)o3)C(=O)N=C2S1
+,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,,,CID649147,CC(C)c1nnc(NC(=O)CN(C)S(=O)(=O)c2ccc3c(c2)OCCO3)s1
+,,,,,,,0.0,,0.0,,0.0,,,,0.0,,CID974726,CCOc1ccc(-c2cnc(SCC(N)=O)nc2N)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,CID1247737,CCc1sc(C(=O)NC2CCN(C)CC2)cc1Br
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID2933651,COC(=O)c1cccc(NC(=O)C2C3CCC(C3)C2C(=O)O)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID3243650,COc1ccccc1NC(=O)CN1CCN(CC(=O)Nc2ccc(OCc3ccccc3)cc2)CC1
+0.0,,0.0,0.0,,,,,,,,,,,,0.0,,CID1264964,CC(=O)c1cccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c1
+,,,,,0.0,,0.0,,,,,,,,,,CID5389729,CC1(c2ccccn2)N=c2ccccc2=C2Nc3ccccc3N21
+,,,,,,,,,,,,,,0.0,0.0,,CID4197229,N#Cc1nc(-c2ccc(F)cc2)oc1NCc1cccc2c1OCO2
+,,,,,,,,,,0.0,,,,,,,CID1000668,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCCCCC2)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID659944,N#Cc1cccc(-n2c(-c3ccccc3)nnc2-c2ccccc2)c1C#N
+0.0,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,CID646340,COC(=O)c1cccc(S(=O)(=O)N2CCN(c3nc4ccccc4s3)CC2)c1
+,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID1825745,CCOCc1nnc(NC(=O)c2cccs2)s1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID5310767,CCCCC(CC)C(=O)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID3325354,CCCOc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC
+0.0,,,,,,,,,,,,,0.0,,0.0,0.0,CID975178,CCN(CC)CC(=O)Nc1ccc(C)cc1Br
+,,,,,,,,,,,0.0,,,,,,CID2843381,O=C(CCCOc1ccc(Cl)cc1Cl)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID2574766,CCOC(=O)c1ccc(NC(=O)CN2C(=O)C(=O)N(CC(C)C)C2=O)cc1
+,1.0,,0.0,,,,,,,,0.0,,,0.0,,,CID661830,COCCCNc1nc(-c2ccncc2)nc2ccccc12
+,,,,,,0.0,0.0,,,,,,0.0,,0.0,,CID657686,CCC(Oc1ccc2ccccc2c1)C(=O)O
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID3243396,COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)no2)c1
+,,0.0,,,,,,,,,,,,,,,CID1208614,O=C(O)c1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID652155,CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)OC)C1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID948075,Cc1nn(C)cc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl
+,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,CID885902,O=C(CCCc1ccccc1)NCCN1CCOCC1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID2870269,N#Cc1cc2c(nc1SCC1COc3ccccc3O1)CCC2
+,,0.0,,,,,,,,,,0.0,,,,,CID2950779,COC(=O)CC1C(=O)NCCN1C(=O)NC1CCCCC1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID3242696,CC1CCCCN1S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)O
+,,,,,,,,,,,,,,0.0,,,CID5441806,Cc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccccc2)cc1
+0.0,,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,CID1553766,Cc1cccc(NC2=NC(=O)/C(=C3/C(=O)N(C)c4ccccc43)S2)c1C
+,,,,,0.0,,,,,,,,,,,,CID5349608,O=C(/C=C/c1ccco1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1
+,,,,,,,0.0,,,,,,,,,,CID5389255,COc1ccccc1C1/C(=C(/O)c2ccc(C)cc2)C(=O)C(=O)N1CCN1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID1253322,O=c1ccn(Cc2ccccc2Cl)cc1
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3782904,Cc1ccsc1C1NC(=O)c2c(sc3c2CCN(C)C3)N1
+,,,,,,,,,0.0,,,,,,,,CID715571,COc1ccc(NC(=O)CSc2nnc(C(C)C)n2N)cc1
+,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID2243148,CCCN(CC1CC1)C(=O)Nc1ccccc1C
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID602712,O=C(CSc1nnc(-c2ccco2)o1)NC1CCCCC1
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID793874,COC(=O)CSc1nnnn1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1367795,O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1475809,Clc1ccc(-n2cc(COCc3ccccc3)nn2)cc1
+,,,,,1.0,,,,,,,,,,,,CID9550811,CC1=N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cc(Cl)ccc1C
+,,,,,0.0,,,,,,,,,,,,CID5349503,CCOC1=C/C(=C/C(C(=O)c2ccc(C)cc2)=C2\Nc3ccccc3O2)C=CC1=O
+,,0.0,,,,,,,,0.0,,,,,,,CID5081572,Cc1nc2sc(C(c3cccs3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID662525,COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1N
+,,,,,,,,,,,,,0.0,,,,CID724391,O=c1nc(SCc2cccc(Cl)c2)[nH]c2ccccc12
+,,,,,,,,0.0,,0.0,,,,,,,CID1522831,Cn1c(-c2cc3ccc(OC(=O)C(C)(C)C)cc3oc2=O)nc2ccccc21
+,,,,,0.0,,,,,0.0,,,,,,,CID665359,CCOC(=O)c1cnn(-c2nc(-c3ccccc3)nc3c2COC(C)(C)C3)c1N
+,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,,0.0,CID653956,COc1ccc2c(c1)-c1nc(NC(=O)c3ccco3)sc1CC2
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID3499113,Cc1ccc(-n2c(SCC(=O)Nc3cc(C)on3)nc3c(c2=O)SC(C)C3)cc1
+0.0,0.0,,,0.0,,,,,0.0,,,,0.0,,0.0,,CID655655,O=C(Nc1ccc2c(c1)OCCO2)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID666832,COc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC
+,,0.0,,,,,,,,,,,,,,,CID5310059,COc1cc(C(=O)NCCc2cn3ccccc3n2)cc(OC)c1OC
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID655885,Cn1c(SCC(=O)O)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID1252016,O=C(NCc1ccco1)c1cnn2cccnc12
+,,,,,,,,,,,0.0,,,,,,CID3145811,CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C(=O)OC)c1C
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID1248841,Cc1ccc(-n2c(SCC(=O)Nc3ccc4cn[nH]c4c3)nnc2-c2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5307157,O=C(CCc1nc2ccccc2[nH]1)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID3242068,CCOC(=O)N1CCC(C(N)=O)CC1
+,,0.0,0.0,,,,,,,0.0,,,,0.0,,,CID698837,O=C(Cn1nnc2ccccc21)C1CC1
+,,,,,0.0,,,,,,,,,,,,CID5524005,COc1ccc(N2C(=O)CS/C2=C\[N+](=O)[O-])cc1
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID976319,O=C(Nc1nnc(CC(=O)N2CCOCC2)s1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID717846,CCN(C(=S)Nc1cccnc1)c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID222786,CC12CCC(=O)C=C1CCC1C2C(=O)CC2(C)C1CCC2(O)C(=O)CO
+,,,,,,,0.0,,,0.0,,,,,,,CID891985,CCOc1ccc(-c2nc(C#N)c(N3CCOCC3)o2)cc1
+,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,CID655823,Cc1cc(C)c(C#N)c(SCc2ccccc2C(=O)O)n1
+,,,0.0,,,,,0.0,,,0.0,0.0,,,0.0,,CID779564,COc1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C
+,,,,,,,0.0,,,,,,,,0.0,,CID654600,CCCC(=O)Nc1cc(OCC)c(NC(=O)NC2CCCCC2)cc1OCC
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID3235819,O=C(CN1CCCN(Cc2ccc(F)cc2Cl)C1=O)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4214837,C#CCNc1ccc([N+](=O)[O-])cc1
+,0.0,,,,,0.0,,,,0.0,,,,,0.0,,CID5307141,Cc1cc(NC(=O)CSc2c3c(nc4ccccc24)CCC3)no1
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID1614721,O=[n+]1c2c(n([O-])c3c1CCCC3)CCCCC2
+,0.0,,,,,,,,,,0.0,,,,,,CID3242111,CCOC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OCC
+,,,,,0.0,,,,,,,,,,,,CID5348782,CCCN1C(=O)c2ccccc2NC1c1ccccc1F
+,,,,,0.0,,,,,,0.0,,,,,,CID2952562,COc1ccc(-c2nnc(N3CCC(C)CC3)c3ccccc23)cc1
+,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID742390,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID5409706,O=c1[nH]c(=O)c2ncc(-c3ccc(Cl)cc3)nc2[nH]1
+0.0,,,,,0.0,,,,0.0,,,0.0,,,,,CID662563,O=C(CSc1nnc(-c2ccccn2)n1Cc1ccco1)c1ccc(-c2ccccc2)cc1
+0.0,,0.0,,,,,,,,,,,,0.0,0.0,0.0,CID646291,Cc1ccc(C)c(N2CCN(C(=O)C3CCN(c4nc(C)cc(C)n4)CC3)CC2)c1
+,,,,,0.0,,,,,,,,0.0,,,,CID2999852,Cn1/c(=N/C(=O)CN2C(=O)C3CC=CCC3C2=O)sc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID809464,Cc1cccc(C(=O)NNS(=O)(=O)c2ccccc2)c1O
+,,,,,0.0,,,,,,,,0.0,,,,CID2763805,Cc1cccc(Oc2c(C=O)c3ccccc3n2C)c1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3154054,CC1CC(C)CN(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)C1
+,,,,,,,,,,0.0,0.0,,,,,,CID685425,O=C1NC2(CCCCCC2)Cc2ccccc21
+,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,CID656286,Cc1nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c2c(C)c(C)sc2n1
+,,,,,,,,,,,,,,0.0,,,CID576879,Cc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID5309388,COC(=O)Cn1ncc2c(C)n(Cc3ccccc3)c(C)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID670267,Cc1cc(C)nc(NC(=O)c2ccc(Cl)cc2Cl)n1
+,,,,,0.0,,,,,,,,,,,,CID1037648,CC(C)CNC(=O)c1cccc(NC(=O)CN2C(=O)c3ccccc3C2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID995281,Cc1ccc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1
+,,,,,,0.0,,,0.0,,,0.0,0.0,,,,CID656169,COc1ccccc1OCCn1c(=O)sc2ccccc21
+,,,,,,,,0.0,,,,,0.0,,,,CID893150,COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID648797,CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc2c(cc1Br)OCO2
+,0.0,0.0,0.0,,0.0,,,,,,,,,,,,CID3237809,CCc1ccc(NC(=O)CCN2C(=O)c3cccnc3C2=O)cc1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID5309784,COc1ccc(S(=O)(=O)N2CCN(c3ccc4nnc(-c5ccc(F)cc5)n4n3)CC2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID661449,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCSc1ncccn1
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,,,,CID940717,Cc1cc(C)c2c(n1)sc1c(N3CCN(CCO)CC3)ncnc12
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID2998359,CCNC(=O)NC1=NC(=O)C(C(C)C)O1
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID6398942,COc1ccccc1N1C(SCC(=O)N2CCCCC2)=NN/C1=C1\C=CC=CC1=O
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,,CID660976,CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1
+,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID362128,CN1CC(=O)N(C)c2ncn(Cc3ccccc3)c2C1=O
+,,,,,,,,,,,,,,0.0,,,CID1099967,COc1cccc(NC(=O)CN(c2cccc(OC)c2)S(C)(=O)=O)c1
+,,,,,,,,,,0.0,,,,,,,CID2983515,Cc1ccc(OC(C)C(=O)N2CCCc3ccccc32)cc1
+,,,,0.0,,,,,,,,,,,,,CID645145,Fc1ccccc1Cn1nnc2c(-n3ccnc3)ncnc21
+0.0,,,0.0,,,0.0,,,,,,,,,0.0,,CID971979,CCc1ccccc1-n1c(-c2ccncc2)n[nH]c1=S
+0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID645389,CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2358291,O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(COc2cccc3cccnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID2394148,COc1cc(/C=C/C(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)ccc1O
+,,0.0,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,CID1226677,Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc(C)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID903387,Cc1ccc(NC(=O)c2sc3ccccc3c2Cl)nc1
+,,0.0,,,,,,,,,,,,,,,CID5389610,COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN3CCOCC3)C2c2ccccc2OC)c1C
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID2851334,COC1CCCCC1Nc1cccc(SC)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID3243189,Cc1cc(/C(=N\O)C(C)(C)NO)ccc1Cl
+,,,,,,,,,,,,0.0,,,,,CID5389388,O=C1C(=O)N(CCCN2CCOCC2)C(c2ccccn2)/C1=C(\O)c1ccc2c(c1)OCCO2
+,,,,,,0.0,,,,,0.0,,0.0,,,0.0,CID648405,CCOC(=O)c1cc2sccc2n1CC(=O)N1CCc2ccccc21
+,,,,,,,,,,,,,,,0.0,,CID2232595,CCOC(=O)C(CCCOc1cccc(OC)c1)C(=O)OCC
+,0.0,,,0.0,,0.0,,,,,0.0,,,,,,CID2218453,COCCSc1ccccc1C(=O)Nc1ccncc1
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID664802,Cc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID1806165,CCCCN(CCCC)C(=O)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID2963966,COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccccc1
+0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,,,CID1379996,CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID2416925,CCC1(CC)NC(=O)N(CC(=O)c2ccc(Cl)s2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID2872998,COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccsc1
+,0.0,,0.0,,,,,0.0,,,,,0.0,,,,CID647422,c1cnc(NCCNc2ncccn2)nc1
+,0.0,,,,0.0,0.0,0.0,,,,,,,,,0.0,CID689101,COc1ccc(-c2nc(=S)[nH][nH]2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2572920,COc1ccc(C(C)=O)cc1CSc1nncn1-c1ccccc1
+0.0,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID656167,O=C(Cn1c(SCC(=O)NC2CCCC2)nnc1-c1ccncc1)Nc1ccc2c(c1)OCO2
+0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,0.0,CID1265862,COC(=O)c1ccsc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1
+,,,,,,0.0,,,,,,0.0,0.0,,,,CID756681,c1nc(NC2CCCC2)c2[nH]cnc2n1
+0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,0.0,,CID3000014,CC(c1nnc(SCC(=O)NC(=O)NCc2ccco2)n1-c1ccc(Cl)cc1)N(C)C
+,,0.0,,,,,0.0,,,,,,,,,,CID644457,O=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1371886,C=C(C)CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCC4
+,,,,,,,,,,0.0,,,,,,0.0,CID5340822,O=C1C=CC(=CNCC2COc3ccccc3O2)C=C1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID3242423,CN1C(=O)CSc2ccc(NC(=O)NCCC3=CCCCC3)cc21
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID2939098,CCN(c1ccccc1)c1ncnc2c1cnn2-c1ccccc1
+0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID647396,Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(C(=O)c5cccs5)CC4)nc2-3)cc1
+,,,,,,,,,,,,,0.0,,,,CID896034,Cc1c(CN(C)C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cnn1C
+,,,,,,,,,,0.0,,,,,,0.0,CID2998229,CCCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3C2=O)c1C
+,,,,,,,,,,,,,0.0,,,,CID5523713,CS/C(=C\[N+](=O)[O-])Nc1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID2213707,CC(=O)Nc1ccc(N2CCCCC2)c(C(=O)Nc2cccc(C)c2)c1
+0.0,,,,0.0,,,,,,,0.0,,,0.0,,0.0,CID2243267,O=c1n(Cc2ccc(Cl)cc2)c2sc3c(c2c2ncnn12)CCCC3
+,,,,,,,,,,,0.0,,,,,,CID1312406,COc1ccc(Cc2nnc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)s2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID902453,CCOC(=O)COc1ccccc1-c1ccno1
+,,,,,,,,,0.0,,,,,,0.0,,CID664281,c1ccc(CCN2CN=C(Nc3nc4ccccc4o3)NC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID3238189,CCOC(=O)N1CCN(C(=O)COc2ccc3c(c2)C(=O)CC2(CCN(C(C)=O)CC2)O3)CC1
+,,,,0.0,,,,,,,,,,,,0.0,CID653411,COc1ccc(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID972634,CC(C)n1c(NCc2cccs2)nc2ccccc21
+,0.0,,,,,,0.0,0.0,,,,,,,,0.0,CID2999302,CC1CCN(C(=O)CCc2nc3cc(S(=O)(=O)N(C)C)ccc3n2C)CC1
+,,,,0.0,,,,,,,,,,,,,CID3243102,Cc1ccccc1-n1c(=O)cc(N2CCc3ccccc3C2)[nH]c1=O
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2855213,COc1cc(C2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1O
+,,0.0,,,,,0.0,,,,,,,,,,CID5389598,C=CCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(N(CC)CC)cc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1242878,CC(C)C(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
+,,,,,,,,,,,,,,0.0,,,CID6518655,COc1ccc(/N=C2\S/C(=C\c3ccc(N4CCOCC4)o3)C(=O)N2CCc2c[nH]c3ccccc23)cc1
+,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID2864940,CC1=C(C(=O)OCC(C)C)C(c2cc3c(cc2Br)OCO3)NC(=O)N1C
+,0.0,,,,,,,,,,,,,,0.0,,CID5389649,C/C(NCCCO)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID3523449,C/C(=N\Nc1ccc(F)cc1F)c1ccc(F)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID740942,CN(C)c1nc(N)nc(-c2cccnc2)n1
+,,,,0.0,,,,,,,,,,,,,CID741114,O=C(CCC(=O)N1CCc2ccccc21)N1CCc2ccccc21
+,,0.0,,,,,0.0,,,,,,,,,,CID3243009,Cc1ccc(S(=O)(=O)C2(C(=O)N3CCCC(C)C3)CC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID9550669,Cc1cc(=O)n2nc(N3CCCC(C(=O)NC(C)c4ccccc4)C3)sc2n1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID797060,Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(N)=O)c1
+,,0.0,,,,,,0.0,,0.0,0.0,,,,,0.0,CID646540,O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID1364327,CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccco3)c2)c1
+0.0,0.0,0.0,,0.0,,,,,0.0,0.0,,,,0.0,,0.0,CID655787,Cc1cccc(OCc2nnc(SCC(=O)c3cccs3)n2C)c1C
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID1868418,Cc1ccc(-n2c(SCC(=O)OC(C)C)nnc2-c2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3107108,Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(F)cc3)cc2)no1
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID660830,CCOC(=O)c1cc(C)n(CCc2cnc[nH]2)c1C
+,,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID659469,CCOC(=O)c1c(C)n(COCCO)c2ccc(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID3538663,O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cccs1
+0.0,,,,,,,,,,,,,,,0.0,,CID660333,Cc1[nH]c2c(C)cccc2c(=O)c1Br
+,,,,0.0,,0.0,,,,,,,,,0.0,,CID2813382,Cc1noc(C)c1S(=O)(=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,0.0,,,,,,CID3190114,COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)cc3)n2)C(C(=O)NC(C)(C)C)c2c[nH]c3ccccc23)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2219821,O=C(CCCN1C(=O)CCC1=O)Nc1ccccc1F
+,,,,,,0.0,,,,,,,,,,0.0,CID1137883,CS(=O)(=O)N(CC(=O)NCc1ccco1)c1ccc(Cl)c(C(F)(F)F)c1
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID944279,N#C/C(C(=O)c1ccccc1)=C1/SC=C(N)N1c1ccccc1
+,,,,,,0.0,,,,,,,,,,0.0,CID3242158,CS(=O)(=O)c1nc2c(c(C(F)(F)F)n1)CCCC2
+,0.0,,0.0,,,,,,,,,,,,,,CID971523,Cn1nc(C(=O)NCCN2CCOCC2)c2ccccc2c1=O
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID3239500,O=C1c2cccnc2C(O)N1Cc1ccco1
+0.0,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,,CID898362,CCOc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
+,,,,,,,0.0,,,,,0.0,,,,,CID3239661,CCOc1ccc(-c2nc(=O)o[nH]2)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,,CID3237985,CCCC(=O)NCc1ccc2c(c1)cc(C)n2C
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID1245885,COC(=O)c1c(NC(=O)Cc2cccs2)sc(C)c1C
+,,,,,,,,,,,,,,,,0.0,CID5307353,Cc1sc2ncnc(NCCCO)c2c1C
+,,,,,,,,,,0.0,,,,0.0,,,CID798081,CCOC(=O)C1CCN(C(=O)Nc2ccc3nccnc3c2)CC1
+,,,,,,0.0,,,,,,,,,,0.0,CID650879,O=C(NC1CCCCC1)c1ccc(CNc2ccccc2)o1
+,,,1.0,,,,,0.0,,0.0,,,,,,,CID2969827,Cc1cc(=O)oc2cc(OC(C)C(=O)Nc3nccs3)ccc12
+,,,,,,0.0,,,,,,,,,,,CID659201,CC(C)C(=O)Nc1c2c(nc3c1CCC3)CCCC2
+,,,,,,,,,,,0.0,,,0.0,,,CID777772,CCn1cnc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID2115631,COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)c2ccccc2OC)c1
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID4100810,O=C(CN1CCOc2ccccc21)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID777589,Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID663086,CN1CCN(/C=N/c2c(C#N)cnn2Cc2ccccc2)CC1
+,,,,0.0,,,0.0,,,,0.0,0.0,,,,,CID1236189,COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccc(NC(C)=O)c2)n1C
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2838302,Brc1ccc(CN2CCN(c3ccccn3)CC2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID993374,CCNS(=O)(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2043769,Cc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)O)n2C
+0.0,0.0,,,,0.0,,,,,,,0.0,,,,0.0,CID654762,Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCCCC3)CC2)cc1
+,,,,,,,,,,,,,,,,0.0,CID965234,CCNC(=O)COc1ccc(Br)cc1Cl
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID1300595,Cc1ccc(-n2c(N)c(C(=O)NCc3cccnc3)sc2=S)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID759155,CC1(C)C/C(=N\O)c2cc3c(nc2C1)CCCC3
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID545057,CCCC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c(F)c1
+,,,,,0.0,,,,,,,,,,,,CID2926725,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)CC1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID653312,CC(C)Oc1ccc(Cc2c(O)[nH]c(=O)[nH]c2=O)cc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2236117,Cc1cccc(-c2noc(CN(C(C)C)S(=O)(=O)c3ccc(F)cc3)n2)c1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID651991,O=C(OC(C(=O)NC1CCCC1)c1ccc(F)cc1)c1ccno1
+,,,,,,,,,,,,,,0.0,,,CID88976,CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,,,,,,,,0.0,,,0.0,0.0,,,CID976289,c1ccc(COc2ccc(OCCn3cncn3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2157260,CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID1021998,O=C(c1ccccc1NS(=O)(=O)c1cccs1)N1CCOCC1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,0.0,CID2531099,Cc1ccccc1-c1nnn(CC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3241985,COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1898363,CCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCC
+,,,,,,,,,,,,,,,0.0,,CID5307748,COc1ccc(C2CC(c3ccc(C)cc3)N=C3N=CNN32)cc1
+,,,,,,,,,0.0,,,,,,,,CID655748,CCOC(=O)Cn1nnnc1CN(Cc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,CID652385,CCc1c(C)[nH]c(SCC(=O)N2CCc3ccccc32)nc1=O
+,,,,,0.0,,,,,,,,,,,,CID5346398,CCc1ccc(OCC(=O)NC2=C/C(=C3/Nc4ccccc4S3)C(=O)C=C2)cc1
+,,,,,0.0,0.0,0.0,,,,,,,,1.0,,CID5759483,CCC1=NN=C2CC(c3ccccc3)CC(NO)=C12
+,,,,,,,,,,,,,,0.0,,,CID1514690,O=C(/C=C/c1ccccc1)Oc1cccc(C(=S)N2CCOCC2)c1
+0.0,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,CID653048,CSCCC(NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1
+,,,,,,,,,,,,,0.0,,,,CID2358495,CNS(=O)(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2)c1
+0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID646820,Cc1nc2cc(F)ccc2n1C1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1194335,CCS(=O)(=O)c1ccc(O)c(NC(=O)COc2ccc(OC)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID659511,CC1(C)CC(=O)C(C(c2ccncc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
+,,,,,,,,,,0.0,0.0,,,1.0,,,CID2140154,COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)n2nnc3ccccc32)c1
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+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID647652,O=C(CN1CCOCC1)Nc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cs1
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+,,,0.0,,,,,,,,0.0,0.0,,,,,CID219761,CC(C)Nc1ncnc2c1cnn2-c1ccccc1
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+,,,,,,,,0.0,,,,,,,,,CID4416036,CCOc1ccc(Br)cc1C1C(C(=O)OC)=C(N)Oc2cc(N(C)C)ccc21
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+,,,,,,,,,0.0,,,,,,,,CID3237518,CCN(CC)c1nc2cc(OC)ccc2cc1C#N
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+,,,,,,,,,,,,,0.0,,,,CID16191194,CN1CCC(C(=O)N2CCCC(C(=O)c3ccc4c5c(cccc35)CC4)C2)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID591407,Nc1nnc2c(n1)CCCC2
+0.0,0.0,,,,0.0,,,,,0.0,,,,,0.0,,CID3239516,CCOC(=O)N1CCN(C(=O)c2ccc3c(c2)ncn3C2CCCC2)CC1
+0.0,,,,,,,,,,,,,,,,,CID644955,CCOC(=O)c1sc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C#N)c1C
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+,,,,,0.0,,,,,,,,,,,,CID9551364,Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2CCc3ccccc32)CC1
+,0.0,,,,,,,,,,,0.0,,,,,CID5307125,O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCN(Cc2ccccc2)CC1
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+,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID653660,CCn1c(COc2ccccc2C)nnc1SCC(=O)O
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+,,,,,,,,,,,,,,0.0,,,CID3218161,Cc1cccc(NC(=S)NC2CC3CCCC(C2)N3Cc2ccco2)c1
+,,,,,0.0,,,,,,,,,,,,CID855011,Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)c(C)c2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID3273794,O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccc(Br)cc1
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+,0.0,,0.0,,,,,,,,,,0.0,,,,CID644841,Cc1cc(C)n(C(C)n2nc(C)cc2C)n1
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+,,,,,,,,,,,0.0,,,,,,CID4679705,Nn1c(SCC(=O)Nc2ccc3c(c2)OCO3)nnc1-c1cccc(Cl)c1
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+,0.0,,,,,0.0,,,0.0,0.0,0.0,,,,,,CID653352,C#CCNc1c(C)c(C)nc2ncnn12
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+,,,,,0.0,,,,,,,,,,,,CID722492,COc1ccc(/C=C2/Sc3ccccc3C2=O)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID648379,CN(C)C(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
+,,,,,,,0.0,,,,,,,,,,CID3243885,Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N
+,,,,,,,,,0.0,,,,0.0,,,,CID1488978,O=C(Nc1cccc(Cl)c1)OCc1cncs1
+,,0.0,,,,,,,,,0.0,,,,,,CID3239807,O=C(O)CCCC(=O)Nc1nc(-c2ccc(F)cc2)cs1
+,,,,,,,0.0,,,,,,,,,0.0,CID5310330,CCN1CCN(CC(=O)Nc2ccc(C)cc2C)C(=O)C1=O
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+,0.0,0.0,0.0,,,,,,,,,,,0.0,0.0,0.0,CID1845454,CC(/C=N/n1cnnc1)=C\c1ccco1
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+,0.0,,,,,0.0,,,,0.0,,0.0,,0.0,,0.0,CID975513,Cc1cc(C)c(C#N)c(SCc2ccc(C#N)cc2)n1
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+,,,,,,,,,,,,,,,0.0,,CID1143346,CCOc1ccccc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O
+,,,0.0,,,,,,,,,,,,0.0,,CID3239451,O=C1c2ccccc2NC2CCCCCN12
+,0.0,,,,,0.0,,0.0,,,,,,,,,CID661338,CC1(C)NC(=O)N(CC(O)COc2cc3ccccc3cc2C(=O)N2CCCCC2)C1=O
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+0.0,,,,,,,,,,,,,,,0.0,0.0,CID531994,O=C(NCC1CCCO1)c1cccc(Br)c1
+,,,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,CID791826,CCCc1ncc(C(=O)c2ccc(OC)cc2)n1C
+,,0.0,,,,,,,,0.0,,,,0.0,,,CID3238288,O=C(O)CC1C(=O)OCN1C(=O)OCc1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID725082,CCOc1ccccc1OCC(=O)Nc1ccc(Cl)cc1Cl
+,,,,0.0,,,,,,,,,,,,,CID2999112,Cc1c(NC(=O)C(C)OC(=O)CC2Sc3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID3589508,CC(=O)Nc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)OCC(=O)N3CCCCC3)cc2)cc1
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+,,,,,,,,,,,,,0.0,0.0,,,CID917452,Cn1nc(C(C)(C)C)c([N+](=O)[O-])c1C(=O)Nc1ccccc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID3244421,CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)NC1c1ccc(OC(F)F)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID3155574,O=C(Nc1nc2ccccc2s1)C1CC(=O)N(c2ccc(F)cc2)C1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID5741065,CCN1C(SCC(=O)Nc2ccccc2C)=NN/C1=C1/C=CC=CC1=O
+,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID651999,O=C(NC1CCCCC1)N(CCN1CCOCC1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3
+,,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,CID2837747,c1ccc(-c2cc3c(ccc4nonc43)nn2)cc1
+,,,,,,,0.0,,,,,,,,,,CID666274,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NS(=O)(=O)c1ccc(OC)cc1OC
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+0.0,0.0,0.0,,,,,,,,,,,,0.0,,,CID654826,Cc1ccc(NC2=NCC(=O)N2Cc2ccc3c(c2)OCO3)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID2964508,Cc1cc(C)cc(N(C(C)C(=O)N2CCCCC2)S(C)(=O)=O)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID603799,O=C(CSc1ncn[nH]1)NCCOc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1279625,COc1cc(NC(=O)CC(c2ccccc2)c2ccccc2)c(OC)cc1Cl
+,,,,,0.0,,,,,,0.0,,,,,,CID1316869,COc1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID666007,N#CC1C(=O)NC(N2CCN(c3ccccc3)CC2)=NC12CCCCC2
+,,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID2998873,CCn1c(CSc2nc(C)cs2)nc2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,0.0,,,,,,,,,,,,CID1003022,CCn1cc(/C=N/NC(=O)c2cc3c(ccc4ccccc43)o2)c2ccccc21
+,,,,,,,,0.0,,,,,0.0,,,,CID1296567,COc1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1OC
+0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2159394,CCOC(=O)CSc1nnc(CNC(=O)c2cccs2)n1CCc1ccccc1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID663729,CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccncc2)c1=N
+,,,,,,,,,,,,,,,0.0,,CID667396,Cn1c(=O)c2c(nc(CN3CCN(c4ccccc4F)CC3)n2CCN2CCOCC2)n(C)c1=O
+,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,,CID3240983,Cn1c(=O)cc(OCCCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID669629,COc1ccccc1CNC(=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID4536143,CCC(C)NC(=O)c1ccccc1-c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID974000,CC(C)NC(=O)Cn1cc(C(=O)c2ccccc2F)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID3197403,CCOc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCCC(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID9547813,COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1
+,,,,0.0,,,,,,,,,,,,,CID1160013,COc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(OC)cc3C)CC2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID4023277,Cc1cc(C)cc(-n2c(SC(C)C(=O)NCc3ccc4c(c3)OCO4)nc3ccccc3c2=O)c1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,,CID1266768,CCOC(=O)c1ccc(NC(=O)Cn2nnc(-c3ccc(C)cc3)n2)cc1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID661959,Cc1nc(SCc2ccccc2)c(C(F)(F)F)c(=O)[nH]1
+,,,,,,,0.0,,,,,,,,,,CID1045009,COc1ccc2oc(=O)c(C(=O)N3CCN(c4ccccc4F)CC3)cc2c1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2195041,Nc1nncn1C(=O)CCCOc1ccccc1
+,0.0,,,0.0,0.0,,,,,,,0.0,,,,0.0,CID646751,CCOC(=O)c1c(NC(=O)CSc2nnc(-c3cccnc3)o2)sc(C(C)=O)c1C
+,,,,,,,,,,,,,,,,0.0,CID5307481,Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)N1CCOCC1
+,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,,CID2192830,COC(=O)c1ccccc1NC(=O)CN(Cc1ccccc1)S(C)(=O)=O
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID10145,COc1cc2c(cc1OC)-c1c(OC)c(OC)cc3c1C(C2)N(C)CC3
+,,,,,0.0,,,,,,,,,,,,CID1560421,CCOC(=O)/C(=C/Nc1ccccc1)C(=O)Nc1ccccc1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID946983,Cc1cc(C)c(C#N)c(Oc2ccccc2)n1
+,,,,,,0.0,,,,,,,,,,,CID73453,CC(C)C1C(=O)N2CCCC2C2(O)OC(NC(=O)C3C=C4c5cccc6[nH]cc(c56)CC4N(C)C3)(C(C)C)C(=O)N12
+,,,,,,,,,,,,,,0.0,,,CID4140680,COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCCCC3)o2)cc1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID653747,COc1cccc(NC(=O)CSc2nncn2N)c1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID5309128,COc1cccc(N2C(=O)C3CCCN3C2c2ccc(Cl)cc2)c1
+,,,,,,,,,0.0,,,,,,,,CID5771343,CC1=C(C(=O)Nc2ccccc2)C(c2cccnc2)N2NC(c3cccnc3)=NC2=N1
+,,,,,0.0,,,,,0.0,,,,,,,CID6413218,Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(-c3ccco3)n2)c1C
+,,0.0,,,,,,,,,,,,,,,CID647194,Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)N(C)C)c3nnnn3c12
+0.0,,,,0.0,,0.0,,,,,,0.0,,0.0,0.0,,CID711116,Cc1ccc(C)n1-n1c(C)nc2sc(-c3ccccc3)cc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID696581,O=C(NC(=S)NCc1ccccc1)c1ccccc1F
+,,,,,0.0,,,,0.0,,,,,,,,CID2289303,COc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCCC1
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID646818,CCOc1ccc(NC(=O)CSc2nnnn2CC(=O)O)cc1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID650025,CC(=O)N(C)c1nc(-c2ccc(Cl)cc2)cs1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,0.0,,CID838952,COc1cc(-c2csc(C)n2)ccc1O
+,,,,,0.0,,,,0.0,,,,,,,,CID701416,Cc1ccc2nsnc2c1S(=O)(=O)N1CCOCC1
+,0.0,0.0,,,,,,,,,,,,,,,CID5309141,c1ccc2c(c1)nc(N1CCOCC1)c1nnnn12
+,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,CID665233,Cc1cccc2cc(COC(=O)c3cccnc3)c(=O)[nH]c12
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID833835,Nc1nnnn1NCc1cccc(OCc2ccccc2)c1
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID882309,Cc1ccc(C(=O)COC(=O)c2cnccn2)cc1
+,0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID893318,CCCn1nnc(NC(=O)c2cccc(OCC)c2)n1
+,,,0.0,,,,,,,,,,,,,,CID3000198,COc1ccc(NC(C)=O)cc1NC(C)C(=O)Nc1ccccc1F
+,,,,,,,,0.0,,,0.0,,,,,,CID4877137,CC(Sc1n[nH]c(N)n1)C(=O)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,,CID780283,O=C1C(=CNC2CC2)C(=O)c2ccccc21
+,,,,,,,0.0,,,,,0.0,,,,,CID654798,COc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)OCCO3)c(OC)c1
+,,,,,,0.0,,,,0.0,0.0,0.0,,,,,CID2998555,N#CCCn1cnc2ccccc21
+0.0,0.0,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID3239850,CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(OC)cc2)cc1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID645175,COc1ccc(S(=O)(=O)N2CCC(O)(c3ccc4c(c3)OCO4)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348208,COc1cc(/C=C2/SC(=S)N(CCC(=O)NC34CC5CC(CC(C5)C3)C4)C2=O)cc(OC)c1OC
+,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,CID664979,CSCCC(NC(=O)NCc1cccs1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID615593,Cc1sc(NC(=O)CCl)c(C(=O)c2ccccc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID1086274,CN1CCc2nc(SCC(=O)Nc3cccc(F)c3)c(C#N)c(-c3cccs3)c2C1
+,,,,,,,,,,0.0,,,,,,,CID3219958,Cc1ccc2c(c1)nnn2C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID648464,CCCn1nnc(NC(=O)COc2ccc(Cl)cc2)n1
+0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,,CID1043210,O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID629063,COc1ccc2nc(C(F)(F)C(F)(F)F)c(C#N)c(N)c2c1
+,0.0,,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,,CID843337,Cc1ccc(Nc2oc(C)nc2C#N)cc1
+,0.0,,,0.0,,,,0.0,,0.0,,,,0.0,,,CID1259407,CSc1nsc(SCCN2C(=O)c3ccccc3C2=O)n1
+,,,,0.0,,0.0,,,,,,,,,,,CID1249089,COc1cc(S(=O)(=O)N2CCOCC2)c(OC)c(S(=O)(=O)N2CCOCC2)c1
+,,0.0,,,,0.0,,,0.0,,,,0.0,,,,CID646546,COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID739281,CCN(C(=O)c1cc2ccccc2oc1=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1859115,Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(F)c(F)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID9550734,COC(=O)c1cc2sc(Cl)cc2n1CC(=O)NCCC(C)C
+,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,,CID1239984,COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(C(=O)O)cc1OC
+0.0,,,,,,0.0,0.0,,,,,,,,0.0,,CID2733295,CC(=O)NC(Cc1ccc(F)cc1)C(=O)O
+,,,,,,,,,,,,,,,,0.0,CID3243313,CC(=O)c1cc(-c2ccc(F)cc2)n(CC(=O)NCc2cccs2)c1C
+,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,0.0,,CID658281,CCCc1nn(CCc2ccccn2)c(N)c1CC
+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID3245708,COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)c1
+,1.0,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,,CID2597298,O=C(OCn1nnc2ccccc2c1=O)c1ccc2ncsc2c1
+,,,,,,,,,,,,,,0.0,,,CID5195277,CCOC(=O)Nc1ccc([N+](=O)[O-])cc1C
+,,,,,,,,,,,,,0.0,,,,CID700615,CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID550926,COc1cc2c(C(=O)N3CCN(C)CC3)c(C)oc2cc1Br
+,,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,CID2612441,COC(=O)c1ccc(CSc2ncnc3sc(C)c(C)c23)o1
+,,,0.0,,,,,,0.0,0.0,,0.0,,,,,CID769060,O=C(NCc1ccco1)C1(c2ccccc2)CCCC1
+,,,,,,,,,,0.0,,,,,,,CID2408666,N#Cc1c(NC(=O)CSc2n[nH]c(N)n2)oc(-c2ccccc2)c1-c1ccccc1
+,0.0,,,,0.0,0.0,,,,,,,,,0.0,0.0,CID655181,O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(c2ncccn2)CC1
+0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,0.0,,CID3238057,COc1cc(OC)c(NC(=O)Cn2cccc2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID4285541,COc1ccc(CCN2C(=S)NC3CC2(C)Oc2ccc([N+](=O)[O-])cc23)cc1OC
+,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0,CID1186319,Cc1sc2ncn(-n3c(C)ccc3C)c(=O)c2c1C
+,,,,,,0.0,,,,,,,,,,0.0,CID5310719,CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(OC)ccc1OC
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID661249,C=CCn1c(-c2cc(OC)cc(OC)c2)n[nH]c1=S
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,,CID657951,Cc1ccc(S(=O)(=O)NC(=O)N2CCCC(C)(C)C2)cc1
+0.0,,0.0,,,,,,,,0.0,,,,,0.0,,CID2229088,Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nnc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID834138,Cc1nc(NC(=O)c2cccs2)ccc1Br
+,,,,,,,,,,,,,,0.0,,,CID4608482,CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(F)cc3)C2)cc1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID726541,S=c1nc(-c2ccccc2)n(Cc2ccco2)c2c1CCCC2
+,,,,,,,,,,,,,0.0,,,,CID574259,O=c1oc(-c2cccs2)nc2ccc(Cl)cc12
+,,,,,,,,,,,0.0,,,,,,CID2886069,O=C(O)C1CCCCC1C(=O)NCCC(c1ccccc1)c1ccccc1
+,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,0.0,,CID645619,Nc1nc(CSc2nc3ccccc3[nH]2)nc(N2CCOCC2)n1
+0.0,,,,,,,0.0,,,,,,,,,,CID5308479,Cc1ccc(NC(=O)CC2Oc3ccccc3NC2=O)c(C)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID3237195,CC(=O)C1=C(O)C=C(c2ccco2)CC1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID5815162,COc1ccccc1C1C2=C(C)NN(c3ccccc3)C2=NC(=O)C1NC(=O)c1ccccc1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,,CID664106,CC1CN(S(=O)(=O)c2cccc(-c3cn4cccnc4n3)c2)CC(C)O1
+,,0.0,,0.0,,,,,,,,,,,,,CID656328,NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccc3c(c2)OCO3)C2CCCC2)c1N
+0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,,,CID2526747,COc1cccc(-c2nc(CC(=O)O)cs2)c1OC
+,,0.0,,,,,0.0,,,,,,,,,,CID4528467,Cc1ccc(C(=O)CC2(O)C(=O)N(C)c3ccccc32)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID1478229,O=C(O)Cc1ccc2oc(-c3cccnc3)nc2c1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID2098186,Cc1c(C(=O)OCC(=O)N(CCC#N)c2ccccc2)oc2c1ccc1ccccc12
+,,,,0.0,0.0,,,,,,,,,,,,CID2997847,O=C1OCC(c2ccccc2)=C1c1ccc(S(=O)(=O)N2CCOCC2)s1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID665436,c1ccc(OCc2nn3c(-c4n[nH]c5c4CCC5)nnc3s2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2867933,Fc1cccc(CN2CCN3CCCC3C2C2CCCCC2)c1
+,,,,,,,,0.0,,,,,,,,,CID757559,O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID2173474,CCCCNc1cc(C)oc(=O)c1C(C)=O
+,,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID647460,COc1ccc2c(c1)cc(C(=O)O)n2C
+,,,,,0.0,0.0,,,,0.0,,,,,,,CID3242230,O=C(O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID1459794,Cc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCCC3)cc2c1
+,,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,CID799768,COC(=O)c1ccc(NC(=O)CNC(=O)C2CCCCC2)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID1091676,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID11958442,O=C(NCc1ccco1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2
+,0.0,,,,,,,0.0,,0.0,0.0,0.0,,,,,CID3235577,CCn1c(=O)cc(N2CCCCC2)[nH]c1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID6622688,O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID752353,CCc1ccc(NCc2nc(-c3ccccc3)no2)cc1
+0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID645028,CCOC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2CC)c1
+,,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,CID3237007,CC(=O)NCCn1ccc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID1312925,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID767187,O=C1N=C(N2CCOCC2)CS1
+0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,,0.0,CID3241670,CN(C)c1ccc(NC(=O)CN2C(=O)CN=C(c3ccccc3)c3ccccc32)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID663316,CN(C)c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID6097135,CCOC1=C/C(=C2\C(C)=C(C)NC(N)=C2C#N)C=CC1=O
+,,,,,,,,,,,,,0.0,,,,CID826263,Cc1nc(OCc2ccccc2)c2ccccc2n1
+0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,CID811280,O=C(Nc1nnc(CCc2ccccc2)s1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID690515,COc1ccccc1CNC(=O)c1cccc(N(C)C)c1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID655517,CCOC(=O)Cc1nn(C)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2285676,CCOc1ccccc1OCCCOc1ccc(C)cc1Cl
+0.0,,,,0.0,,,,,,,0.0,,,,,0.0,CID3237633,Cc1ccc(Cl)cc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
+0.0,,,,,,,,,,,,,,,0.0,,CID3820491,O=C(CN1C(=O)CCC1=O)Nc1nc2ccc(Br)cc2s1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID666673,N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1cccc2ccccc12
+0.0,,,0.0,,,,,,,,,,0.0,,0.0,0.0,CID1285237,Cc1cc(C)c2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,,CID674054,Cc1oc2c(c1C(=O)NCc1cc(C(=O)O)co1)CCCC2
+,,,,,,,,,,0.0,,,,,,,CID2270969,N#C/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)c1cccc(Br)c1
+,,,,,,,0.0,,,,,,,,,,CID3243888,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccccc4)c(=S)[nH]c3c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2051050,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID5309174,O=C1c2ccccc2C(Nc2ccc3c(c2)OCO3)N1Cc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2998561,CC(C)CNC(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID3237996,O=C(CSCc1cnn(-c2ccccc2)c1-n1cccc1)NCc1cccs1
+,,,,,,,0.0,,,,,,,,,,CID5310130,COc1ccc(OC)c2sc(NC(=O)C3COc4ccccc4O3)nc12
+,,,,,0.0,,,,,,,,0.0,,,,CID939549,CCOC(=O)c1cnc(SCc2cccc3ccccc23)nc1N
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID662572,COc1ccc(Nc2cc(C)nc(-n3nc(C)cc3C)n2)cc1
+,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,CID2950631,CCOc1ccc(NC(=O)C2CC(=O)N3CCCN=C3S2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2932382,O=C(NCCCn1ccnc1)C1CC2CCC1C2
+,,,,,0.0,,,,,,,,,,,,CID776583,CC(=O)c1c(C)oc2c1cc(OC(=O)c1ccco1)c1ccccc12
+,,0.0,,0.0,,,,,,,,,,,,,CID3238658,COc1ccccc1-c1nnc(SCC(=O)N2CC(C)CC(C)C2)o1
+,,,,,,,,0.0,,0.0,,,,,,,CID2105177,CCN(CC)C(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12
+,,,,,,,,0.0,,,0.0,,,,,,CID900537,O=C(CCc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1
+,,,,,,,0.0,,,,,,,,,,CID4121059,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1c(C)cccc1C
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID2295722,CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccn2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID4081605,CCCCNC(=S)NNC(=O)c1ccoc1C
+,,,,,,,,,,0.0,,,,,,,CID3125349,CCCOc1ccc(C(O)(CCC)CCN2CCCCC2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2539582,Cc1cc(C(=O)CSc2n[nH]c(-c3ccccc3F)n2)c(C)n1Cc1cccs1
+,,,,0.0,,,,,,,,0.0,,,,,CID3238699,COC(=O)CNS(=O)(=O)c1ccc(Cc2ccc(S(=O)(=O)NCC(=O)OC)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID824188,O=C(N/N=C/c1ccco1)c1cc(-c2ccccc2)n[nH]1
+0.0,,,0.0,,,,,0.0,,,0.0,,,,,,CID881514,O=C(Nc1ccc2c(c1)OCO2)c1ccc(CN2CCOCC2)cc1
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,0.0,CID788520,CCC(NCCc1ccccc1)=C1C(=O)CCC1=O
+,,,,,,,0.0,,,,,0.0,,,,,CID719065,CSc1nc(C)cc(-n2ccc(=O)[nH]c2=O)n1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,0.0,CID2981769,COc1ccc(-c2nc(SCC(=O)N3CCOCC3)n[nH]2)cc1
+0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,0.0,,CID653429,CCOC(=O)Cc1csc(NC(=O)CSc2nc3cccnc3n2CC)n1
+,,,,,,,,,,,,,,0.0,,,CID2848089,N/C(=N\[N+](=O)[O-])N1CCN(C(=O)c2ccc(Cl)cc2)CC1
+,,,,0.0,,,,,,,0.0,0.0,,,,,CID1375770,CCN1C(=O)CS/C1=N\C1C2CC3CC(C2)CC1C3
+,,,,,,0.0,,,,,,,,,,,CID3147445,CCOc1cccc(=O)c2c(C)n(CC3CCCO3)c(C)c12
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+,,,,,,,,,,,0.0,0.0,,,,,CID645244,CCCC(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc(OCC)cc2)n1
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+,,0.0,,,,,,,,,0.0,,,,0.0,,CID3240007,Cc1ccc(-n2c(=O)cc(N3CCC(C)CC3)[nH]c2=O)cc1
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+0.0,,,,,,,,,,,,,,,,,CID3245986,O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc2c(c1)OCO2
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+,,,,,0.0,,,,,,,,,,,,CID2887057,CC(C)(C)NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
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+,,,,,,,,,0.0,,,,,,,,CID2905480,CCCC(C)C(=O)Nc1ccc(NC(C)=O)cc1
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+,,,0.0,,,,0.0,,,,,,,,,,CID6098036,CCOC1=C/C(=C2\C(C)=C(CC)NC(N)=C2C#N)C=CC1=O
+0.0,,,,,,,,,,,,,,,,0.0,CID2787613,CC(NC(=O)COc1ccc(Br)cc1)C(=O)O
+,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID649875,Cc1ccc(S(=O)(=O)N(c2ccccc2)C2CCS(=O)(=O)C2)cc1
+,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,CID784995,Cc1cc(=O)nc(SCC(=O)c2ccc(C)c(C)c2)[nH]1
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID648370,CC(C)CNC(=O)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
+,,,,,,,,,,,,,0.0,,,,CID1014410,O=C(CCc1ccccc1)NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,0.0,0.0,,,,,,,,,,,0.0,,,CID3243769,CCCCN(C)C(=O)CCCCn1c(=O)[nH]c2cc(OCC)c(OCC)cc2c1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID1006908,O=C(CSc1ncn(-c2ccccc2)n1)Nc1nc(-c2ccccc2)cs1
+,,,,,,,,,,,,,,0.0,,,CID2622592,O=c1cc(CSc2nnc3ccccn23)c2c(ccc3ccccc32)o1
+,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,,0.0,CID2216518,CC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O
+,,0.0,,,,,,,0.0,0.0,,0.0,,,,0.0,CID2997073,Cc1c(C(=O)OC2CCCC2C)[nH]c2c1C(=O)CCC2
+,,,,,0.0,,,,,,,,,,,,CID852515,CCc1nc2c(c(SC)nn2-c2ccccc2)c(N)c1C(=O)OC
+,,,,,0.0,,,,,,,,,,,,CID2212582,C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(Cl)c1C
+,,,,,,,,,,,,0.0,,,,,CID974127,CC(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID1489019,CCc1nc2ccccc2c2nc3ccccc3n12
+,,,,,,,,,,,,,,0.0,,,CID4839537,CCCN(C(=O)CSc1nnnn1C)C1CCS(=O)(=O)C1
+,,,,,,,,,,,0.0,,,,,,CID6624448,CC(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1S(=O)(=O)c1ccc(C)cc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID645578,Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3C(C)CCCC3C)cc2)CC1
+,0.0,,,0.0,,,0.0,,,,0.0,,,,,,CID3237388,CCOc1ccc(C2C(C(=O)OC)=C(C)N=C3SCCC(=O)N32)cc1OCC
+,0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,,,,0.0,CID2608909,COc1ccc(C)cc1-n1nnnc1SCc1csc(C)n1
+0.0,,,,0.0,0.0,,,,,0.0,,,,,0.0,,CID663127,O=C(CSc1nnc(-c2cnccn2)n1Cc1ccco1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1008966,COc1ccc(S(=O)(=O)N/N=C(\C)c2cccc(NC(=O)c3ccccc3Cl)c2)cc1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2980791,COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)c(F)c1F
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+,0.0,,,,0.0,,,,0.0,,,,,,,,CID3239194,Cc1c2c(nc3c(C(=O)NC4CCCC4)cnn13)CCCC2
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID651406,O=C(c1cccs1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)CC1
+,,,,0.0,,,,,0.0,,,,,,,,CID752647,C=CCn1c(N)c(C(=O)NCc2ccco2)sc1=S
+,,,,,,,,0.0,,,,,0.0,,,,CID1028072,Cc1ccc2cccc(NC(=S)NC(=O)c3c(Br)cnn3C)c2n1
+0.0,,,,,,,0.0,,,,,,,,,,CID817371,COc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1400,Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1
+,,,,,0.0,,,,,,,,,,,,CID1554651,COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1OC
+,,,0.0,0.0,,,,,,,,,,,,,CID1246603,CSc1ccccc1NC(=O)c1cccnc1
+,0.0,0.0,,,,,,,,,,,,,,,CID657573,CCOc1ccc(CC2CC(=O)NC2=O)cc1
+,0.0,,,0.0,,,,0.0,,,,,0.0,,,,CID1279864,Cc1noc(C)c1CSc1nnc2scc(-c3ccc(Cl)cc3)n12
+,,,,,0.0,,,,,,,,,,,,CID4324228,COCCCNC(=O)C1CC(=O)N(CCc2ccccc2)C1
+,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,CID890559,Brc1cnc(N2CCCCC2)nc1N1CCOCC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2218699,Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID646064,COc1ccccc1CC(NC(C)=O)C(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
+,,,,,,,,,0.0,,,,,,,,CID3154953,CCOC(=O)C(C)Sc1nc(C2CC2)cc(C(F)(F)F)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID842951,Cc1ccc(OCC(=O)Nc2ccc(Cl)cn2)c(C)c1
+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID651209,Nc1nc(NC(=O)CCCC(=O)O)nn1-c1ccccc1
+0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,CID2611782,COc1ccccc1Nc1nnc(SCC(=O)N2CCCC2)s1
+,,,,,,,,,,,,0.0,,,,,CID661836,O=C(CCc1ccccc1)Nc1nc2nc(-c3ccccc3)cc(=O)n2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1486692,c1ccc(-c2cc3ccccc3nc2N2CCCC2)cc1
+0.0,,1.0,,,0.0,,,,,,,0.0,,,,0.0,CID658729,Cc1ccc2[nH]c3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc3c2c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2937719,Cc1ccc(CC2C(=O)N(CC(=O)O)C(=O)C2C)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID3586649,Nc1nc(C(=O)N2CCOCC2)nn1C(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID825210,Cc1c(O)n2c(cc1=O)C(C)(C)c1cc(Cl)ccc1-2
+,,,,,,,0.0,,,,,0.0,,,,,CID5310082,COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5)CC4)sc3n2)cc1
+0.0,,,0.0,,,0.0,,,0.0,0.0,,,,,,,CID735943,CCc1ccc2oc(-c3ccc(N)cc3)nc2c1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID3242882,Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(C)c1CCC(=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,,0.0,,CID1292991,Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Br)c2C)c(C)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID3242060,COc1ccc(N2CCN(CCNC(=O)CCS(=O)(=O)c3cccc4nsnc34)CC2)cc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3732121,CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1051849,CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2oc1=O
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID3236093,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCCCCC3)c21
+,,,,,,,,,,,,,0.0,,,,CID2939042,CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
+0.0,,,,0.0,,0.0,,0.0,,,,,,,,,CID666983,FC(F)(F)c1nnc2sc(-c3ccncc3)nn12
+,,,,,0.0,,,,,,,,,,,,CID5336454,COC1=C/C(=C(\S)N2CCCCC2)C=CC1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID2082451,Cc1csc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID1480015,Cc1ccc(-n2cc(C(=O)c3ccc(F)cc3)nn2)cc1Cl
+,0.0,,,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,CID2614045,CCCn1c(C)cc(C(=O)COc2ncnc3sccc23)c1C
+,,,,,,,,,,,,,,0.0,,,CID2939031,CC1(C)CC(CCC(=O)NC(=S)Nc2ccccc2Cl)C(=O)O1
+,,,,,,,,,,,,0.0,,,,,CID652835,CC(NC(=O)C(CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(N)=O
+,,,,,,,,,,0.0,,,,,,,CID3727986,CCCOc1ccc(N2C(=O)C3C(C(C)C)NC4(C(=O)c5ccccc5C4=O)C3C2=O)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID3238381,Cc1ccc(C2N(c3ccc(Cl)c(Cl)c3)C(=O)C3CCCN32)o1
+,,,,,0.0,,,,,,,,,,,0.0,CID2998713,CCOC(=O)CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID666435,COC(=O)Cc1c(C)nc2nc(-c3cccnc3)[nH]n2c1=O
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID644599,N#CCOc1nc(N2CCOCC2)nc(N2CCOCC2)n1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID4754173,CCn1c(C2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID866422,Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID839927,COc1ccc(CC(=O)N/N=C(\C)c2ccccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3719398,O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1CCCN=2
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID657981,CCOC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1441189,OC1CCN(c2c3c(nc4cc(-c5ccc(Cl)cc5)nn24)CCC3)CC1
+,,,,,0.0,,,,,,,,,,,,CID5342362,COc1cc(/C=C2\NC(=S)NC2=O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID648358,COc1cccc(-n2c(SCC#N)nnc2-c2cnccn2)c1
+,,,0.0,,,,,,,,,,,,,,CID661464,CCCCNC(=O)Nc1cnn(CC)c1C(N)=O
+0.0,,,,,0.0,,0.0,,0.0,,,,,,,,CID3245313,COc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)c(OC)c1
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID70652,COC(=O)C(N)Cc1ccc(O)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID655026,CCCOc1ccc(C(C)(O)CN2CCOCC2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID847688,O=C(COC(=O)c1cccnc1)Nc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID4777789,CCCOC(=O)CC1C(=O)NCCN1Cc1ccccc1C
+,,,,,0.0,,,0.0,,0.0,,,0.0,,,,CID2764245,Cc1ccc(-c2onc3ccc(C=O)cc23)cc1
+,,,,,,,,,,,0.0,,,,,,CID2215567,CCCCc1nnc(NC(=O)CSc2nc(=O)cc(N)n2-c2cccc(C)c2)s1
+,0.0,,,,,,,,,,,,,,,0.0,CID654401,Cc1ccc2[nH]c(=O)c(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID2450685,O=C(c1cccc(S(=O)(=O)N2CCCCC2)c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID660708,CCCCOC(=O)N1CCOCCOCCN(C(=O)OCCCC)CCOCCOCC1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,,CID654656,CS(=O)(=O)N1CCN(c2nc3ccccc3s2)CC1
+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID5308857,COc1ccccc1CNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
+,,,,,,,,,,0.0,,,,,,,CID1307465,O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(Br)cc1
+,,,,,,,,,,,0.0,,,,,,CID779028,O=C(Nc1ccc(N2CCOCC2)cc1)c1cccnc1
+,0.0,1.0,0.0,,,,,,,,,0.0,,,,,CID647427,CCc1ccc(-c2nnn(CCC(=O)OC)n2)cc1
+0.0,,,,,,0.0,,0.0,,,0.0,,,,,,CID2876780,COCC(COCCCNC(=O)Nc1ccc(Br)cc1)OC
+,,,,,,,,,,,,,0.0,,,,CID895428,COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(C)c(C)o1
+,,,,0.0,,,,,,,,,,,,,CID3244057,Cc1ccccc1CNC(=O)Nc1cccs1
+,,,,,,,,,0.0,0.0,,,,,,,CID2923449,COc1ccc(OCCCN2CCCC(C)C2)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID3242661,COc1cc2c(cc1OC)C(C(=O)O)C(c1ccc(C)o1)N(C)C2=O
+0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,CID3241118,O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCC1
+,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,,,CID2109473,Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID803539,Cc1ccc2nc(SCc3ccccc3)c(C=O)c(=O)n2c1
+,,0.0,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,CID644801,CC1(C)CC(=O)C=C(Nc2ccccn2)C1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID3239706,CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN3CCCC3=O)CC2)cc1
+,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,,CID663511,CCCn1c(-c2ccc(OC)cc2)nc2nc3ccccc3nc21
+,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID3236496,O=C(CSc1nnc(CNC(=O)c2c(F)cccc2Cl)o1)Nc1ccccc1
+,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,CID3244209,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2491998,Cc1cc(OCCCC(=O)NCc2cccs2)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1806739,O=C(Nc1ccc(F)cc1)/C(=C\c1cccs1)NC(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3098501,O=C(Cc1ccccc1)N/N=C/c1ccccc1OCc1ccc(Cl)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID3239655,CCOC(=O)Cc1csc(NC(=O)C2CCCCC2C(=O)O)n1
+,,,,,,,,,,,,,0.0,0.0,,,CID793869,COC1=C(c2ccccc2)C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID1481618,CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID4023154,COc1ccccc1OCCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
+,,,,,,,0.0,,,,,,,,,,CID2063,COc1ccc(C=C(C#N)C#N)cc1
+,,,,,,0.0,,,,,,,,,,,CID619902,C=CCSc1nc2sc(C)c(C)c2c(=O)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2977397,O=C(Nc1ccc(O)cc1)C1CCCO1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID1260107,O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCC1
+,0.0,,,,,,0.0,,,,0.0,,,,0.0,,CID2943505,Cc1nc2cc(NC(=O)N3c4ccccc4CC3C)ccc2n1C
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID3154407,O=C(O)c1ccc(Cl)c2c1C1C=CCC1C(c1ccccn1)N2
+,,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,CID704968,c1ccc2c(Oc3ccc4c(c3)OCO4)nncc2c1
+0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID3237248,Cc1cc2cc(CNC(=O)NC3CCCCC3)ccc2[nH]1
+,,,,,,,0.0,,,,,,,,,0.0,CID5893607,COc1ccc(CC(=O)NC2=CC(=O)/C(=C3/Nc4cc(C)ccc4O3)C=C2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2789942,C/C(=N\NC(N)=S)c1ccccc1[N+](=O)[O-]
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID652508,COC(=O)c1cccc(NC(=O)CN2CCOCC2)c1
+,0.0,,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,CID973892,O=C(CSC1=NCCS1)Nc1ccnc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID12004960,COc1cccc(C(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)c1
+,,,,,,,,,,,,,0.0,,,,CID567755,N#CC1=C(SCC(=O)Nc2nccs2)NC(=O)CC1c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16188248,Cn1cc(CN2CCCC(CO)(Cc3ccccc3)C2)c2ccccc21
+,,,,0.0,,,,,,,,,,,,,CID2391814,COc1ccc(CC(=O)OCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID1245777,O=C(Nc1nc2c(s1)CCCC2)c1ccc(Br)s1
+,0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,,CID662524,CC1=Nn2c(nnc2-c2ccco2)SC1
+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID3239297,COc1ccc(CC(CC(=O)O)C(=O)Nc2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2926054,CCc1ccc(C(=O)COC(=O)CNC(=O)CNC(=O)Cc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID746705,Cc1ccc(NC(=O)c2cnccn2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5346091,CCOc1ccc(C(=O)NC2=C/C(=C3/Nc4ccccc4O3)C(=O)C=C2)cc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID1258198,CCCC(=O)Nc1nc2ccc(NC(=O)c3cccnc3)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID774490,CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID100028,CCC(C)c1ccc(O)c(N)c1
+,,,,,0.0,,,,,,,,,,,,CID846270,CCOC(=O)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1
+,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,CID2998951,CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)c1C
+,,,,,,,,,,,,0.0,,0.0,,,CID5771352,COCCCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2/C=C\c2ccc(OC)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID5761549,CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CN(C)CC3
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+,,,,,,,,,,,0.0,,,,,,CID2248250,O=C(N/N=C/c1cccc(Oc2ccccc2)c1)c1ccccc1Br
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+,,,,,0.0,,,,,,,,,,,,CID3146024,CC(=O)N1N=C(c2ccc(Cl)cc2)OC1c1ccc(C(C)C)cc1
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+,,,0.0,,,,0.0,0.0,,,,,,,,0.0,CID777096,CC1(C)Nc2ccccc2N(CCC(=O)N2CCOCC2)C1=O
+,,,,,,0.0,0.0,,,,,,,,,,CID2868155,O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1
+,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,,CID866654,CCOC(=O)CSc1nnc(CNC(=O)Cc2ccccc2)n1C
+,,,,0.0,,,,0.0,,,,,,,,,CID665404,COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2Cc2cccnc2)cc(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID558610,O=S(=O)(c1ccc(Br)s1)N1CCCCC1
+,,,,,,0.0,0.0,,,,,,,,,,CID2772712,O=C(O)Cn1c(SCCOc2ccccc2F)nc2ccccc21
+0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,CID3239635,O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cccs2)CC1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,,CID1506296,CC1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1
+,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID650868,COCCn1c(SCC(=O)NCc2ccco2)nc2cccnc21
+,,,,,,,,,,,0.0,,,,,,CID2476157,CCCCN(C)C(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID2999451,O=C(NCC1CCCO1)c1cccc(-n2cnnn2)c1
+,,,,,0.0,,,,,,,,,,,,CID678514,CCOC(=O)/C(C#N)=C\c1ccc(CC)s1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID4621896,CCOCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
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+,,0.0,0.0,,,,,,,0.0,,0.0,,,,0.0,CID658952,CC1(C)Cc2c(c(-c3ccccc3)nc(N3CCCC3)c2C(N)=O)CO1
+,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,,CID100617,CC(=O)Oc1c2occc2cc2ccc(=O)oc12
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3244171,Cc1c(C(=O)N2CCN(c3ncccn3)CC2)sc2nc3n(c(=O)c12)CCCC3
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID728157,COc1ccc(CCNc2nc(=O)c(C)n[nH]2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2772624,OCCSc1nc2ccccc2n1CCOc1ccccc1
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+,,,,0.0,,,,,,,,,,,,,CID1537068,CCOC(=O)c1c(C)[nH]c(C(=O)CN2CCOCC2)c1C
+,,,,,,,,,,,,,,0.0,,,CID1448195,COC(=O)c1ccc(NC(=S)N(Cc2cccnc2)Cc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3952413,COc1cc(NC(=O)CN(C)Cc2cccc(F)c2)c(C)cc1[N+](=O)[O-]
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID4194877,CCc1cccc(NC(=O)CS(=O)Cc2nc(-c3ccc(C)cc3)oc2C)c1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID2913330,O=S(=O)(NC1CCCCC1NCc1ccco1)c1ccc(Cl)cc1
+,,0.0,,,,,0.0,,0.0,,0.0,,,,,,CID728246,O=c1ccnc(NCCc2ccccc2)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID3390597,Cc1cc(C)n2nc(CC(=O)NCc3ccccc3Cl)nc2n1
+,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,CID651340,COc1ccc(Cn2nnnc2C(c2cccs2)N2CCSCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1077518,CCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,,0.0,,0.0,,,,,,,CID1579459,CCC(CC)c1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID806798,Cc1cccc(N(CC(N)=O)S(C)(=O)=O)c1C
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+,,,,,,,,0.0,,0.0,,0.0,,,,0.0,CID3237670,CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN3CCCCC3)ccc2c1=O
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+,,,,,,,0.0,,,,,0.0,,,,,CID893755,Cc1cc(=O)nc(SCC(=O)N2CCC(C(N)=O)CC2)[nH]1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID667292,Cc1ccc(-c2noc(CCC(N)=O)n2)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,0.0,CID2998706,CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID662939,Cc1cccc(Nc2nc(N)nc(CN3CCC(C(N)=O)CC3)n2)c1C
+,,0.0,,,,,0.0,,,,,,,,,,CID648217,CCOC(=O)C(Cc1cc(C(C)=O)ccc1OC(C)C)C(=O)OCC
+,,,,,,,,,,,,,0.0,,,,CID16196197,Cc1cc(/C([O-])=C(/C(=S)Nc2ccc(F)cc2)[n+]2ccccc2)c(C)n1Cc1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2444866,O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1
+,,,,,,,,,,,,,,0.0,,,CID6537082,COC1=CC=C/C(=C\NNC(=O)CSc2ccccc2C)C1=O
+0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,,,CID660661,Cc1ccc(CC2CC(=O)N(c3ccc4c(c3)OCCO4)C2=O)cc1
+,0.0,,0.0,,,,,,,,,,0.0,,0.0,0.0,CID2155767,Cc1cc(NC(=O)CSc2nnc(-c3ccco3)o2)no1
+,,,,,,,,,,,,,0.0,,,,CID726126,CS(=O)(=O)c1nc(-c2ccc(Br)cc2)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2483202,O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cl)nc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2449421,Cn1c(N)c(C(=O)COC(=O)c2ccc(Br)o2)c(=O)n(C)c1=O
+,,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID898756,CCOC(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,CID1733533,CC(=O)N(CCN(C(C)=O)c1ccccc1)c1ccccc1
+0.0,,,,,,0.0,,,,,,,,,,,CID1131627,O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1
+,,,,0.0,0.0,,,0.0,,,,0.0,,,,,CID647594,COc1cccc(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)N4CCCCCC4)cc32)c1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID1095869,CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,,CID3239005,CCOC(=O)c1oc2ccccc2c1NC(=O)Cc1cccs1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID5310185,CC(C)c1nc(SCC(=O)NCc2ccc3c(c2)OCO3)c2c(=O)n(C)c(=O)n(C)c2n1
+,,0.0,,0.0,,,,0.0,,,0.0,,,,,,CID3239693,COc1ccc(C2C(C(=O)NCc3ccccn3)c3ccccc3C(=O)N2C)cc1OC
+0.0,,,0.0,,,0.0,,,,,0.0,0.0,,,,0.0,CID869526,COc1ccc(OC)c(NC(=O)c2ccc(NC(C)=O)cc2)c1
+,,,,,,,,0.0,,,,,,,,,CID822752,COc1ccc(CCNC(=O)c2nonc2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID1632299,O=c1/c(=C/c2ccccc2OS(=O)(=O)c2ccccc2)sc2nc3ccccc3n12
+,,,,0.0,,,,,,,,,,,,,CID658203,CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3
+,,,0.0,0.0,,,,,,0.0,,,0.0,,,,CID651862,COC(=O)CC1Sc2ccccc2NC1=O
+,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,,,CID646598,O=C(Oc1ccccc1)c1ccc(-n2cnnn2)cc1
+,,,,,,,,,,,,,,,,0.0,CID885808,O=C(COc1ccc(Br)cc1Cl)N1CCCC1
+,,,,,,,,0.0,,,,,0.0,,,,CID2121754,O=C(CSc1nc2ccccc2[nH]1)c1ccc(Cl)s1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID649845,COCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2
+,,,,,0.0,,,,,,,,,,,,CID2881545,Cc1c(C=O)cc2c(c1C)OC1(C=C2)N(C)c2ccccc2C1(C)C
+,,,,0.0,,,,,,,0.0,,,,,,CID2127128,CCc1ccc2c(CN3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)cc(=O)oc2c1
+,0.0,,0.0,0.0,,0.0,,,,,,,,,,,CID3242503,Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCc3ccc4c(c3)OCO4)cc12
+0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,CID662097,O=C(Nc1ccccc1C(=O)NCCCn1ccnc1)c1ccccc1
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+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID4573848,COc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCC2)cc1
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+,0.0,,0.0,,,,,,,,,,,0.0,0.0,0.0,CID654993,Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCc2ccccc21
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+,,,,,,,,0.0,,0.0,,,,,,,CID1006779,O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
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+,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID900718,CCOC(=O)N1CCN(C(=O)c2ccc3nc(C)sc3c2)CC1
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+,0.0,,,,,,,,,,,,,,,,CID2951024,Cc1ccc(NC(C(N)=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
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+,0.0,,,,,,,,,,,,,,,,CID5309069,C=CCn1c(=O)n(CCOC)c(=O)c2sc3ccccc3c21
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+,,,,0.0,,,,,,,,,,,,,CID3835686,O=C(c1sc2ccccc2c1Cl)N(Cc1cccs1)C1CCS(=O)(=O)C1
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+,0.0,,,0.0,,0.0,,,,,,,,,,,CID663031,CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1
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+,,,,,,,,,,,,,,0.0,,,CID2392859,Cc1c(Cl)cccc1-n1c(SCC(=O)N2CCC(C(=O)O)CC2)nnc1-c1ccncc1
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+,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID973140,Cc1c(NC(=O)NCc2ccccc2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,,0.0,,,CID845177,O=C(NCc1cccnc1)c1c(O)n2c3c(cccc3c1=O)CCC2
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+,,,,,,,,,,,,,0.0,,,,CID691766,Cc1ccnc(NC(=O)c2ccccc2[N+](=O)[O-])c1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID651636,CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID1083209,Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1107128,O=C(Nc1ccc2c(c1)OCCO2)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,0.0,,,,,CID2246736,CC1(C)CC(=O)C(=CNCCN2CCOCC2)C(=O)C1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID836232,CCSc1nnc(NC(=O)C(C)C)s1
+0.0,,,,,0.0,,,,,,0.0,,,0.0,,0.0,CID650554,COc1ccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4042014,CC1CCC(C(C)C)C(OC(=O)COC(=O)c2ccccc2N)C1
+,,,,,,,,,0.0,,,,,,,,CID748057,CCC(=O)c1cccc2c1N=CC1=C(CC(C)(C)CC1=O)N2
+,,,,0.0,,,,,,,,,,,0.0,,CID3237213,CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3cccc(C)c3)N2C1=O
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID1519307,CCC(=O)Nc1cccc(-c2c(C(=O)OC)c(C)nc(C)c2C(=O)OC)c1
+,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,,CID1246517,O=C(c1cc2c(s1)CCCC2)n1cccn1
+,,,0.0,,,,,,,,,,,,0.0,,CID2999273,CCC1C(=O)C(c2ccccn2)=C(N)N1c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID9551321,COc1ccccc1CNC(=O)CCCOc1cc(=O)n(C)c2ccccc12
+,,,,,,,0.0,,0.0,,0.0,,0.0,,,,CID3241549,CCCc1cc(=O)n2[nH]c(C)cc2n1
+,,,,,,,,,,,,,0.0,,,,CID1479503,COc1cc(NC(=O)c2c(F)cccc2F)c(Cl)cc1Cl
+,,0.0,,,,,,,,,,,,,0.0,,CID5310570,Cc1ccn2cc(CNS(=O)(=O)c3ccc(Cl)s3)nc2c1
+,,,,,,,,,,,,,0.0,,,,CID1383603,COC(=O)Cc1cc(=O)oc2cc(OC)ccc12
+,0.0,0.0,,,,,,,,,,,,,,,CID2526980,O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1)c1ccco1
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+,,,,,0.0,,,,,,,,0.0,,,,CID1741838,Cc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)n1
+,,,,,,,,,,,,,,0.0,,,CID1739848,CCCCCCCCCC(=O)N/N=C/c1ccc(C)s1
+0.0,,0.0,0.0,,,,,,,,,,,,0.0,,CID655207,CCOc1ccccc1NC(=O)CC1Nc2ccccc2NC1=O
+,,,0.0,,,0.0,,,,,0.0,,0.0,,,,CID324787,N#Cc1ccccc1NCc1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID648122,N#Cc1c(C(F)(F)F)cc(-c2ccco2)nc1SCc1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID842291,Cc1c(/C=N/NC(=O)c2csc3ccccc23)cnn1C
+,,,,,,,0.0,0.0,,,,,,,,,CID653586,CCCCCCOc1ccc(OCC(O)CN2C(=O)NC(C)(C)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID745568,Cc1ccc(NC(=O)c2nc[nH]c2C(=O)Nc2ccc(C)cc2)cc1
+,,0.0,,,,,0.0,,,,0.0,,,,0.0,,CID660897,Cc1cc(N(C)C)c(C#N)c(NCc2ccccc2)n1
+0.0,,,,0.0,,,,0.0,,,,,,,0.0,,CID3239508,Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(F)cc2)n1
+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID4141385,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1364703,O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc([N+](=O)[O-])cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID876717,CC(C)CNC(=O)c1ccccc1Oc1ccccc1
+,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID644730,CCCn1c(O)c(C(=O)Nc2nnc(C)s2)c(=O)c2ccccc21
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID657920,Cc1cc(C)n(-c2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(Br)c2)n1
+,,,,,,,,,,,,,0.0,,,,CID2672602,Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID532095,CC(C)=CC(=O)Nc1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID2876272,O=C(NC(Cc1ccc([N+](=O)[O-])cc1)C(=O)NCc1ccco1)OCc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID3245250,O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID897880,COC(=O)c1sc(NC(=O)c2cnccn2)c(C(=O)OC)c1C
+,,,,,0.0,,,,,,,,,,,,CID5346743,Cc1ccc(OCc2nnc(NC(=O)c3ccccc3)s2)cc1C
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID724528,CCCc1nnc(SCC(=O)Nc2ccc(OC)cc2)n1N
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID1008848,COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1COc1ccccc1[N+](=O)[O-]
+,,,0.0,,,,,,,,,,,,,0.0,CID1247284,O=C(c1cccc(C(F)(F)F)c1)N1CCCC1
+,,,,,,,0.0,,,0.0,,,,,,,CID899245,O=C(O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID662945,Cn1c(=O)c2c(nc(Br)n2Cc2ccc3ccccc3c2)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID2890995,O=C(c1cccc(Cl)c1Cl)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID744464,c1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1
+,,0.0,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID2610946,Cc1cc(-n2c(C)cc(C(=O)COc3ccc4ccc(=O)oc4c3)c2C)no1
+,,,,,,,,,,,,,0.0,,,,CID898406,CSc1ccccc1NC(=O)Cc1ccc(Br)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID3243031,CCCN1CCN(C(=O)Cn2cccc2C(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1729066,CC(C)(C)c1cc(OS(C)(=O)=O)ccc1O
+,,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID836347,O=C(CCCc1ccccc1)NCc1cccnc1
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID662707,Cc1[nH]c(=O)[nH]c(=O)c1CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
+,,,,,,,,,,,0.0,,,,,,CID604059,CS(=O)(=O)NCCCNc1ccc(Cl)cc1[N+](=O)[O-]
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID698770,O=C(CSc1nc(O)cc(=O)[nH]1)C1CC1
+,,,,,,,,,,,,,,0.0,,,CID5461352,CC(C)NC(=O)C1CC1(C)C(NC(=O)OCc1ccccc1)c1ccccc1
+,0.0,,,,,,,0.0,,,,,,,,,CID644771,O=C(O)C1CSC(c2ccccc2)N1C(=O)c1ccco1
+,,0.0,,,,,,,,0.0,,,0.0,,,,CID2963490,CC1CC(C)CN(c2oc(-c3ccco3)nc2C#N)C1
+,,,,,,,,,,0.0,,,,0.0,,,CID2583450,COc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID3220583,CC1CCCCN1Cc1ccc(-c2nnn(CC(=O)NC3CCCCC3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2898962,CC(Sc1ccc(Cl)cc1)C(=O)NCc1cccnc1
+0.0,,,,0.0,,,,,,,,,,,,,CID666713,Cc1cnc(Nc2nc3ccccc3o2)nc1C(=O)Nc1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,,0.0,,,CID2892263,COC(=O)CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2162305,CCOC(=O)c1ccc(NC(=S)NCCCN2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID692214,Cc1cc(OCC(=O)N(C)C2CCCCC2)cc(C)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID5377144,O=C1C=CC(=C/C=C2/C=Cc3ccccc3N2)C=C1
+,,,,,0.0,,0.0,,,,,,,,,,CID3236189,O=C(c1noc2c1CCCC2)N1CCOCC1
+,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,,CID3152132,CCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21
+,0.0,,,,,,,,,,,0.0,,,,,CID666599,CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1C(C)C
+,,,,,,,,,,,,,,0.0,,,CID935722,N#Cc1cc(-c2ccccc2)nc(Oc2ccccc2)n1
+,0.0,,0.0,,0.0,,,,,,,0.0,,,,,CID3243887,O=C(CCCCn1c(=O)[nH]c2ccccc2c1=O)NCCC1=CCCCC1
+,,,,,0.0,,,0.0,,,,,,,,,CID3759894,CCCCNc1nc(CC)c2c(c1C#N)CCCC2
+,,,,,,,,0.0,,,,,0.0,,,,CID824004,CCCn1c(-c2ccc(OC)cc2)nc2c(=O)n(C)c(=O)[nH]c21
+,,,,,,,,0.0,,,,,,,,,CID2859181,CC1CC2=C(CC1/C=N/NC(N)=S)C(C)(C)CCC2
+0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID655739,CC(C)(C)c1csc(NC(=O)CSc2nc(=O)c3ccccc3[nH]2)n1
+,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,,CID662400,COCCn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc21
+,,,0.0,0.0,0.0,,,,,,,0.0,,,,,CID2999697,CC(=O)c1ccc(OCC(O)CN(C)Cc2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3745707,CCCCCCC(=O)N(O)C1CC(=O)N(c2ccc(C)cc2)C1=O
+0.0,,,,,,,0.0,,,,,0.0,,0.0,,,CID5309635,CC1CCN(Cc2ccc(NC(=O)CC3Oc4ccccc4NC3=O)cc2)CC1
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+0.0,,,,,0.0,,0.0,,,,,,,,,0.0,CID655894,CC(C)n1c(N2CCN(CC(=O)Nc3ccc4c(c3)OCCO4)CC2)nc2ccccc21
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,,CID3000003,O=C(Cc1cn2ccsc2n1)OCc1nc2ccccc2s1
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+0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID2971368,Cc1noc(C)c1C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1
+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID644853,CC1CCCN(C(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)C1
+,,,,,,0.0,,,,0.0,,,,,,,CID658434,CCOC(=O)/N=C(/NC(=O)Nc1ccc(C(=O)OCC)cc1)OC
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+,,,,,,,,,0.0,,0.0,,,,,,CID2555125,Cc1cc(C)c2nc(NC(=O)c3cc(C)on3)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID2922917,COc1ccccc1N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID9550458,CCC(C)C1N=C(c2ccccc2)c2cc(Cl)ccc2N(CC(=O)NCc2ccco2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3824823,O=C1CC(O)(C(F)(F)F)Oc2c1ccc1ccccc21
+,,,,,,,,,,,,,,,0.0,,CID796473,O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID2066331,CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl
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+,,0.0,,0.0,0.0,,,0.0,0.0,,,0.0,,0.0,,,CID2155260,COc1ccccc1-n1c(SCC(=O)NC2CCCCC2)nc2c(c1=O)SCC2
+,,,,0.0,,,,,,,,,,,,,CID650493,CCCC(C(=O)NCc1ccc(OC)cc1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N
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+,,,,,,,,0.0,,,,,,,,,CID3139429,CC(C)CC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
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+,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,,,CID5308629,Cn1c(=O)cc(OCCCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
+,,,,0.0,,,,,,,,,,,0.0,,CID2999828,COc1cc(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)cc(OC)c1OC
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+,0.0,,,,,,,0.0,,,,,,,0.0,0.0,CID665742,CCOC(=O)CNC(=O)CSc1ncnc2c1cnn2Cc1ccccc1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID2998790,Cc1ccc(-c2[nH]c(=O)n3ccncc23)s1
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+,,,,0.0,,,,,,,,,,,,0.0,CID3244528,Cn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
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+,,,,,,,,,0.0,,,,,0.0,,,CID351917,CSc1nc2ccc(Cl)cc2[nH]1
+,,,0.0,,,,,,0.0,,,,,,,,CID675042,Nc1cc(N)nc(SCc2ccccc2)n1
+0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,,CID665946,Cn1c(NC(=O)c2ccco2)c(-c2ccccc2)c(=O)c2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID881434,CC(C)(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID1202470,Cc1ccccc1C(=O)NN1C(=O)CSC1=S
+0.0,,,,,,,,,0.0,,,,,,,,CID665658,COCCCn1/c(=N/C(=O)c2ccc3c(c2)OCO3)c(C#N)cc2c(=O)n3cccc(C)c3nc21
+,,0.0,,,,,,,,0.0,,,,,,,CID5309629,Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID2834472,O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID969762,O=S(=O)(NCc1ccc2c(c1)OCO2)c1cccc2nsnc12
+0.0,,0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,0.0,CID3236261,O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCCC2)CC1
+,0.0,0.0,,,,,,0.0,,,0.0,,0.0,0.0,,0.0,CID847860,CCc1ccc(OC)c(S(=O)(=O)Nc2ccccc2C)c1
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID134684,c1ccc(CCCNc2ncnc3nc[nH]c23)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID5309655,CCOC(=O)N1CCN(c2cc(C)nc3nc(C)nn23)CC1
+,,,,,,,,,,0.0,,,0.0,,,,CID1329592,O=C(NCc1ccccc1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,0.0,0.0,,,,,0.0,,,,,,,0.0,,,CID667203,CCOC(=O)c1cnc(NCc2ccccc2)nc1C
+,,,,,,,0.0,0.0,,,,,,,,,CID3239937,COc1ccc(N2Cc3cccc(C(=O)N4CCOCC4)c3C2=O)cc1
+,0.0,,,,0.0,,,,,,0.0,,,,0.0,,CID4190969,O=C(c1ccco1)N1CCN(C(c2cccs2)c2sc3ncnn3c2O)CC1
+,,,,,,,,0.0,,,,,,,,,CID2881667,CC(C)CC1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID777239,CC(C)CNc1cc(=O)n(C)c(=O)n1C
+,,,,,,,,,,,,,,0.0,,,CID903464,Cc1c(Cl)c([N+](=O)[O-])nn1CC(=O)N1CCc2ccccc2C1
+,,,,,,,,,0.0,,0.0,,,,,,CID2127536,O=C(Nc1cccc(Cl)c1)Nc1nnc(-c2ccccc2)o1
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID749386,CCN(CC)CCNC1=Nc2ccccc2CCC1
+,,,,,,,,,,,0.0,,,,,,CID629081,CC(=O)OC1N=C(c2ccccc2)c2cc(Br)ccc2N(C)C1=O
+,,,,,,0.0,,,,,,0.0,,,,,CID2081182,O=C(OCc1nnc(-c2ccccc2)o1)c1ccco1
+,,0.0,,,0.0,,,,,,,,,,0.0,0.0,CID675623,Cn1cc(/C(Cc2ccccc2)=N\O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1486976,NNS(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1
+,0.0,,0.0,0.0,,,,,0.0,,,0.0,0.0,,0.0,,CID649045,O=C(CSc1nnc(-c2cccnc2)o1)OC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID902210,O=C(c1cnc2c(c1)COc1ccc(Cl)cc1-2)c1ccccc1O
+,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,CID648657,CCOc1ccccc1NC(=O)NC1(C(=O)N2CCOCC2)CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID771286,CC(=O)Nc1cccc(C(=O)N/N=C/c2cccnc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2059723,O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2ccccc2)cs1
+,,,,,0.0,,,,,,0.0,,,,,,CID4887441,CC(=O)Nc1ccc2c(c1)nc(CCN1CCC(C)CC1)n2C
+,,,,,0.0,,,,,,0.0,,,,,,CID134230,CC(=O)OCCNC(=O)c1cccnc1
+,,0.0,,0.0,,0.0,,0.0,0.0,1.0,,0.0,,,,,CID2948917,COc1cc(C(=O)Nc2nnc(-c3sccc3C)s2)cc(OC)c1OC
+,,,0.0,,,,,,,,,,,,,,CID800208,O=C(Cn1c(=O)sc2ccccc21)N1CCOCC1
+,,,0.0,,,,,,,,,,,,,0.0,CID715139,COc1cc(NC(=O)c2ncn[nH]2)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,0.0,,CID2945463,CCOC(=O)C1CCCN(Cc2nc(N)nc(Nc3ccccc3)n2)C1
+,,,,,,,,,,,,,0.0,,,,CID850682,COc1ccc(OC(=O)c2cnn(-c3ccccc3)c2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID796892,O=C(Nc1cccc2ccccc12)N1CC=CCC1
+,,,,,,,,,,,,,,0.0,,,CID3767571,CCOC(=O)C(=Cc1ccc(-n2cncn2)cc1)C(=O)OCC
+,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,,,CID665006,COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1
+0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID647755,CCOc1ccccc1-n1c(COc2ccc(C)cc2)nnc1SCC(N)=O
+,,,,0.0,,0.0,,,,,,,,,,,CID179009,CCCC(N)=C1C(=O)CC(CC(C)SCC)CC1=O
+0.0,,0.0,,,,,,,0.0,,0.0,,,,,,CID662387,CN1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID15945410,COC(=O)NN/C=C1/C=C(OC)C(=O)C([N+](=O)[O-])=C1
+,,,,,,,,,,,,,,0.0,,,CID1637692,CC(=O)c1sc(NC(=O)CCCOc2ccc(Cl)cc2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID7183690,CCOC(=O)C1CCN(c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)CC1
+,,,,,,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,CID887918,Cc1occc1C(=O)Nc1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,0.0,,,,,,CID995141,Cc1ccc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2129688,Cc1ccc2nc(SCCCCOc3ccccc3)[nH]c2c1
+,,,,,,0.0,,,,,,0.0,,,,,CID1308992,CCN(CC)C(=O)Cn1c(=O)n(Cc2ccccc2Cl)c2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID2112169,CC(=O)Cc1nsc(NC(=O)c2ccco2)n1
+,,,,,,,,,,,,,0.0,,,,CID1012487,COC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID3347420,CCOc1cccc2c1OC(c1cc(OC)c(OC)c(OC)c1)N1N=C(c3ccc(C)o3)CC21
+,,,,,,,,,,,,,,0.0,,,CID7161212,O=C(Cc1csc(NC(=O)c2ccc(F)cc2)n1)NO
+0.0,,,,,,,,,,0.0,0.0,0.0,,,,,CID2202529,COc1ccc(CCC(=O)Nc2ccc(-c3noc(-c4ccc(OC)c(OC)c4)n3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID603176,C/C(Cc1ccccc1)=N\NC(=O)CNC(=O)c1ccccc1Br
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,,,,,,0.0,CID661438,CN1C(=S)SC(N(O)C(=O)Nc2ccccc2)C1(C)C
+,,,,,,,,,,,,,0.0,,,,CID883013,O=C(CCSc1ccc(Cl)cc1)Nc1cccnc1
+,,,,,,,,,0.0,,,,,0.0,,,CID3101228,CCC(=O)NCC(=O)OCC(=O)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID2293901,Cc1ccc(SCCNC(=O)C(CO)(CO)CO)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID646457,Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2Cc2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1484661,CSc1nc(Oc2ccc(Cl)cc2)c2sccc2n1
+,,0.0,,0.0,0.0,,,,,0.0,,,,,,,CID646140,Cc1ccc(S(=O)(=O)N2CC3(C)CN(S(=O)(=O)c4ccc(C)cc4)CC(C)(C2)C3O)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID650222,O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1)NCc1ccco1
+,,,,,,,,0.0,,,,,,,,,CID238615,COc1ccc(S(=O)(=O)c2ccc(OC)cc2)cc1
+,,0.0,,,0.0,,,,,,,,,,,,CID5310602,CCCCCN/C=C1\C(=O)N(c2nc3ccccc3s2)N=C1C
+,,,,,,,,,,,0.0,,,,,,CID2179971,CCOC(=O)CSc1nc(C)cc(C)n1
+,,,,,,,,,0.0,,,,,,0.0,,CID655199,CC(CC1C(C#N)=C(N)SC(N)=C1C#N)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1190175,CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCOCC4)cc3)c2c1
+,,,,,,,,,,,,,,0.0,,,CID2464991,O=C(CSc1nc(-c2ccccc2)cs1)NCCN1C(=O)CSC1=O
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID1080143,Cc1ccc(NC(=O)c2cc(NC(=O)CCC(=O)O)ccc2N2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2955990,CC12CC3(C)CC(C)(C1)CC(C(=O)NCc1ccccn1)(C2)C3
+,,,,,,,,,,,,,0.0,,,,CID751871,Oc1ccc(-c2csc(Nc3ncccn3)n2)c(O)c1
+0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,,CID1153524,COc1ccc(CNC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)cc1OC
+,,,,,,0.0,,,,,,,,,,,CID3236267,Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCCCC3)n2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2957285,O=C(CC1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1cccnc1
+0.0,,,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,,CID3237130,COc1ccccc1Nc1oc2cc(=O)ccc-2cc1C(N)=O
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID654574,Cc1cc(NC(=O)CSc2nnc3c(C)cc4c(C)ccc(C)c4n23)no1
+,,,,,,,,,,,,,,,,0.0,CID5309924,CCOc1ccc(C2CC(c3ccc(OC)c(OC)c3)N3NC(N)=NC3=N2)cc1
+,,,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,CID2082828,Cc1cc(C)n2c(SCC(=O)Nc3ccccc3)nnc2n1
+,,,,,,,,,,,,,,0.0,,,CID4350063,CC(=O)N(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)c1cccc(C(=O)O)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID2229205,N#Cc1c(-c2ccc(Br)cc2)nc2n(c1=O)CCCS2
+,,,,,,,0.0,,,,,,,,0.0,,CID2962013,CCOC(=O)Cc1[nH]nc2c1C(c1ccoc1)C(C#N)=C(N)O2
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID5309625,CCN(CC)c1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccnc3)C2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2099816,COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1
+,,,0.0,,,,,,,,,,,,,,CID3242980,COc1cccc(-n2cc(C(=O)O)c3ccccc3c2=O)c1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID679754,Cc1cc(NCc2ccco2)n2c(nc3ccccc32)c1C#N
+,,,,,,,,,,,,,0.0,,,,CID1475030,O=c1ccn(C2CCCCC2)c(O)c1Cc1ccc(F)cc1
+,,,,,,,0.0,,,,,,,,,,CID5768066,COc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)c(OC)c(OC)c2)c(C)c1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID652241,O=C(CN(Cc1ccccc1C(F)(F)F)C(=O)CNC(=O)c1ccco1)NC1CCCC1
+0.0,,,,,,,,,,,,0.0,,,,,CID654040,COc1cc(C)nc(OCCNC(=O)COc2ccc(Cl)cc2Cl)n1
+,,,,0.0,,,,0.0,,0.0,,,,0.0,,,CID1240150,Cc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2ccccc2n1
+,,,,,,,0.0,,,,,,,,0.0,,CID2998323,Cc1ccc(CN2CC(C(=O)Nc3ccc(S(=O)(=O)Nc4cc(C)nc(C)n4)cc3)CC2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1575342,COc1cccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)c1
+,,,,,,,,0.0,,,,,,,,,CID2956859,CC(C)OCCCNS(=O)(=O)c1ccc2c(c1)OCCO2
+0.0,,,,,,,,0.0,,,,,,,,,CID869048,O=S(=O)(CCc1ccccc1)N1CCOCC1
+,,,,,,,,,,0.0,,,,,,,CID1921763,C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccccc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID3237541,Cc1cccc(N2CCN(C(=O)Cn3ccc4ccccc4c3=O)CC2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID1472036,COC(=O)c1c(C(=O)OC)c(-c2ccc(C)cc2)n2c1CS(=O)(=O)C2
+,,,,,0.0,,,,,,,0.0,,,,0.0,CID654486,COc1ccc(-n2c(SCC#N)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2925959,CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccn3C)c(=O)n2C1c1cccc(OC)c1OC
+,,,,,,,,,,0.0,,,,,,,CID1226614,NC(=O)c1ccccc1NC(=O)NC1CCCCC1
+,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID2963180,Cc1ccc(N2CC(C(=O)Nc3ccc4c(c3)OCCO4)CC2=O)cc1
+,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID3238802,CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21
+0.0,,,,,,0.0,,,,,,,,,,,CID661494,N#CC1=C(SCC(=O)c2ccc(Br)cc2)NC2=C(C(=O)CCC2)C1c1ccco1
+0.0,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID629427,COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1
+,,,,,,,,,,0.0,,,,,,,CID2230226,COc1ccc(C)cc1NC(=O)CSc1nnc(CC(=O)Nc2ccccc2C)n1C
+,,,,,,,,,0.0,,,,,,,,CID5332137,COC1=C/C(=C\Nc2sc(C)c(C)c2C#N)C(=O)C=C1
+,,,,,,,,,,,,,,0.0,,,CID1476667,COCc1cc(N2CCCCC2)nc(-c2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID3097979,Cc1ccc(N/N=C/c2ccc(N3CCOCC3)cc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID3912551,CC(=O)c1cccc(NC(=O)C(Sc2ncnc3ccccc23)c2ccccc2)c1
+,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,CID934797,COc1ccc(C)cc1S(=O)(=O)Nc1ccccc1C
+,,,,,,,,,,,,0.0,,,,,CID1606660,O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCO
+,,,,,0.0,,,,,,,,,0.0,,,CID3834440,CCNC(=O)C1CC(=O)OC12CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID872481,CC(=O)N(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID704848,Cc1ccnc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1
+0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,CID650855,COc1ccc(CNC(=O)CN2CCC(C(=O)c3ccc(OC)cc3)CC2)cc1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID3235848,CC(C)(C)c1[nH]nc2c1C(c1ccccc1OC(=O)N1CCOCC1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID856363,COc1ccc(CN(C(=O)c2cccs2)c2ccccc2)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1263726,COc1cccc(-n2c(-c3ccoc3)nc3ccccc3c2=O)c1
+,,,,,,,,,,0.0,,0.0,,,,,CID646658,CCCCn1c(SCC(=O)Nc2nnc(C(C)C)s2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID3238631,Cc1nc2ncnn2c(C)c1CCC(=O)Oc1ccccc1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,CID663094,CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1-c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID664185,CCN(CC)c1ccc(C2C3CCCCC3(O)CCN2CC(=O)N2CCCCC2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1318662,COc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(C)(=O)=O
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID2537450,CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1261317,Cc1ccc(C)c(-c2cc(C(=O)Nc3nccs3)c3ccccc3n2)c1
+,,,,,,,,,,,,,,0.0,,,CID3798902,O=C(NNS(=O)(=O)c1ccccc1F)c1sccc1-n1cccc1
+,,,,,,,,,,,,,,0.0,,,CID589534,Cn1c(CSc2nc3ccccc3n2C)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID744068,Nc1nnc(CSCc2ccc(Cl)cc2)s1
+,,,,,,,,0.0,,,,,,0.0,,,CID1474667,COc1ccc(S(=O)(=O)n2oc(=O)cc2-c2ccccc2)cc1
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID2127929,CCN(CC(=O)Nc1ccc2c(c1)OCO2)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,,,0.0,,,,,,,CID5341572,CC1(C)CC(=O)c2c(nc3[nH]c(=O)[nH]c(=O)c3c2-c2ccccc2)C1
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID663097,C=CCn1c(C2CC(=O)N(c3ccc(C)cc3)C2)nc2ccccc21
+0.0,,,,0.0,,,,,,,,,,,,,CID2945025,COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCC4CCCO4)c3n2)cc1
+,,,,,,,,,,,,,,,0.0,,CID786802,Cc1ccc(C(=O)c2ccc(O)cc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID893374,COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)O)cc1
+,0.0,0.0,,,,,,0.0,,,,,,0.0,,,CID3242739,O=C(c1cnc2ccccn2c1=O)N1CCCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID3934007,CCOC(=O)C1=C(C)N=C(SC)N(C)C1c1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3237066,COC(=O)C(Nc1nccs1)(OC)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID5064245,O=C(COc1ncnc2ccccc12)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID1249903,Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)no2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3245882,CC1CCc2c(C(=O)NCC3CCCO3)csc2C1
+,,,,,,,,,,,,,,0.0,,,CID1842072,CN1/C(=C\C(=O)c2cccs2)C(C)(C)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4150079,CC(=O)N/N=C(\C)c1ccc2c(c1)OCCO2
+,,,,0.0,,,0.0,,,,,,,,,,CID3821753,CCOc1ccc(NC2=NC(=O)C(CC(=O)O)S2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID655950,O=C(c1cccnc1)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID5390074,Cc1cccc(N2C(=O)/C(=C/NCCCN3CCOCC3)c3ccccc3C2=O)c1
+,0.0,,,,,,,,0.0,,,,,,,,CID5309179,CCN(c1ccccc1)c1cc(C)nc2nc(C)nn12
+,,,0.0,,,,,,,,,,,,,,CID663098,CCC(C)NC(=O)c1c(N)n(/N=C/c2ccccn2)c2nc3ccccc3nc12
+0.0,,,,,,,,,,,,,,,,,CID2531489,CC(C)CCNC(=O)NC(=O)CSc1nnc(-c2ccccc2Br)o1
+0.0,,,0.0,,,,0.0,0.0,0.0,,,,,,,,CID2200863,O=C(c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID3212208,CCCCN(CC(=O)NCCOC)C(=O)Cn1nnc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2287770,Cc1ccc(N(CC(=O)NCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,CID2213080,COc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2-c2ccccc2)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1095375,CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Br
+,,,,,,,0.0,0.0,,,,,,0.0,0.0,0.0,CID3237112,CCOC(=O)c1sc2nc(C)n(CC(=O)NCC3CCCO3)c(=O)c2c1C
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3243041,COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(F)cc2)o1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID803077,O=C(Cc1cccs1)NCc1ccc(F)cc1
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID3319136,CCCCCn1c(NCc2ccco2)nc2ccccc21
+,,,,,,,,,0.0,,0.0,,,,,,CID3148161,Cc1nn(C)c(C)c1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,,,,0.0,0.0,,,,,,,,,,CID744620,CCC(=O)/C=C1\Sc2ccc(OC)cc2N1CCO
+,,,,,,,,,,,,,,0.0,,,CID1643484,O=C(OCCNc1nc(-c2ccccc2)nc2ccccc12)c1cccnc1
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID3243043,COC(=O)c1ccc(CSc2ncnc3c2nnn3-c2ccc(OC)cc2)o1
+,0.0,,,,,,,,,,,,0.0,,,,CID647535,CCOC(=O)Cn1ncc(-c2ccccc2)c1N
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID651556,O=C(CN1C(=O)C2CCc3[nH]c4ccccc4c3C2C1=O)N1CCCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID2430673,Cc1ccc(C)c(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c1
+,0.0,,,,,,,0.0,,,,,0.0,,0.0,,CID650277,CC1(C)NC(=O)N(CC(O)CN2CCCCC2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID999210,Cc1sc(NC(=S)NC(=O)c2cccs2)nc1-c1ccc(C(C)C)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID815385,COc1cc(=O)c(NC(C)=O)c2[nH]onc1-2
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2910434,CC(c1ccccc1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+,,,,,,,,0.0,,,,,,,,,CID4092397,Cc1ccc(N(C)C(=O)Oc2cccc3ccc(C)nc23)cc1
+0.0,,,,,,,,,,,,,,,,,CID2804810,O=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID5307207,CCN(CCNC(=O)CC1Oc2ccccc2NC1=O)c1ccccc1
+0.0,,,,,,,,0.0,,,,,,0.0,,0.0,CID875116,O=C(COC(=O)c1ccccn1)c1ccc(Br)cc1
+,0.0,,,,,,,0.0,,,,,,,0.0,,CID3239930,O=C(CCn1c(=S)[nH]c2ccccc2c1=O)NCC1CCCO1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID2496606,COCCNC(=O)COC(=O)CSCc1nc2ccccc2s1
+,,0.0,0.0,,,,0.0,0.0,,,,,,,,,CID664051,N#Cc1nc(-c2ccco2)oc1NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2134766,CC(=O)Cc1nsc(NC(=O)c2ccccc2Cl)n1
+,,,,,,,,,,,,,0.0,,,,CID804080,CCOC(=O)c1sc(NC(=O)COC(=O)c2ccco2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID2262106,CC(C)(C#CCN1CCCC1)OCCC#N
+,,,0.0,,,,,0.0,,,,,,,,,CID1289010,CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)CC1
+,,,,,,,,,,,,,,0.0,,,CID16188434,COC(=O)c1ccc(NC2=C(Cl)C(=O)OC2OC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2881132,CCSc1nnc(-c2ccc(Cl)cc2)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID3414630,N#CC(Nc1ccccc1)c1ccccc1OCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3770920,COc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2771331,O=[N+]([O-])c1ccc(N2CCNCC2)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID5942876,CCOc1ccc(NC(=O)CC2SC(N/N=C3\CCCc4ccccc43)=NC2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID718677,CCOC(=O)c1c[nH]c2c(Cl)ccc(Cl)c2c1=O
+,,,,,,0.0,,,,,,,,,,,CID661441,CC(Sc1ccc2ccccc2n1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID2409986,Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1Cc1cccs1
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID3239305,COc1nc2c(s1)C(=O)NCCC2
+,,,0.0,,,,,,,,,,,0.0,,,CID2746403,Cc1cc(C)n(Cc2ccccc2F)c(=O)c1C#N
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,0.0,,CID2973158,CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1319793,Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID6464393,CCOc1ccccc1NC(=O)NCc1ccccc1F
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID2912925,O=C(NC1CCCCC1NC(=O)c1cccs1)c1cccs1
+0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,CID565816,O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccco1
+,,,,,0.0,,,,,,0.0,,,,,,CID1001529,CCn1c(NC(=O)c2ccc(COc3ccc(C)cc3[N+](=O)[O-])o2)nc2ccccc21
+,,,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,CID1504007,O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)NCc1cccs1
+,0.0,0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,CID2524561,COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C2CC2)c1C
+,,,,,,,,,,,,,0.0,,,,CID946304,Cc1nc(NC(=O)/C=C/c2ccccc2)n[nH]1
+,,,,,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,CID839484,CC(C)CCN1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
+,,,0.0,,,,0.0,,,,,,,,,,CID3588870,C=CCNc1ncnc2c1cnn2-c1cccc(C)c1
+,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,,CID658750,O=C(OCCCC(=O)N1CCOCC1)c1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2054211,CCOC(=O)CSc1[nH]c(=O)cc(C)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID2892019,CC(C)=C1C2C=CC1C1C(=O)N(c3ccc(C)c(C)c3)C(=O)C21
+,,,,,,,,,,,0.0,,0.0,,,,CID974413,Cc1ccc(NC(=O)c2cc3nc(C)cc(C)n3n2)cc1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID3712377,CCCCn1c(CNC(=O)CC)nc2ccccc21
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID3241790,CCOC(=O)CN1C(=O)SC(CC(=O)Nc2nccs2)C1=O
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID652336,COc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID1012319,O=C(c1ccc(COc2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID3245503,CC(NC(=O)COc1cc(=O)n(C)c2ccccc12)c1ccc2c(c1)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID2115877,CCCCn1c(N)c(N(CC(C)C)C(=O)CN(C)Cc2cccc(OC)c2)c(=O)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID900030,c1ccc(-c2ncnc3cc4n(c23)CCC4)cc1
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,,CID2997221,Cc1ccsc1C1CC(=O)NC2=C1C(=O)CC(C)(C)C2
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID658101,COC(=O)CSc1nc(-c2cccs2)ccc1C#N
+,,,,,0.0,,,,,,,,,,,,CID11958571,Cc1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1
+,,,0.0,,,,,,0.0,,,,0.0,,,,CID893822,Clc1ccc(CSc2ncccn2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2936650,Cc1cccc(NC(=O)C2CC(=O)n3cnnc3S2)c1
+,,,,,,,,,0.0,,,,,,,,CID3241371,Cn1c(C(=O)NCCCN2CCN(c3ccccc3F)CC2)cc2c(=O)[nH]c3ccccc3c21
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID651720,O=S(=O)(Nc1cccnc1)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1014864,C/C(=N\NC(=O)c1ccc(C)s1)c1cccc(NC(=O)COc2ccc(Cl)cc2C)c1
+,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,CID665905,Cn1c(CCN2CCCCC2)nc2cc(NC(=O)NC3CCCCC3)ccc21
+,,,,,0.0,,,,0.0,,,,,,,,CID4430834,Cc1ccc(S(=O)(=O)CC2CSc3ncnc4ncn2c34)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID3236508,CC(C)(C)n1ncc2c(=O)n(Cc3c(F)cccc3Cl)cnc21
+,,,,,,,,,,,,,,0.0,,,CID2835500,C/C(=N\NC(=O)CNC(=O)c1ccncc1)c1ccc(C)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID3236503,CCOC(=O)N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1
+,,,,,,,,,,,0.0,,,,,,CID4882314,NC(=O)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)n1CC1CCCO1
+,,,,,,,,0.0,,,,,,,,,CID1010065,COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(C)=O)cc2)c1
+,,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,CID787457,CN(C)/C=C/c1c(C#N)c(=O)ncn1Cc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2963391,CCS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccco3)C(c3ccc(C)cc3)C2)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2937149,O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCC1CCCO1
+,,,,,,,,,0.0,0.0,,,,,,,CID655772,COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID658625,CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID1210897,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2630172,Cn1nnnc1SCc1cccc2ccccc12
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID2999315,CC1CC1C(=O)OCC(=O)NCc1ccccc1Cl
+,,,,,,,,,,,,,,,,0.0,CID1512190,COC(=O)c1cnc2c(C(F)(F)F)cccc2c1OC
+0.0,,0.0,,,,,,,,,,,,,,,CID5070966,CCn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID1301910,Cc1ccc(SCc2[nH]nc3c2C2(CCSCC2)C(C#N)=C(N)O3)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID659547,COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID836314,COc1cc(OC)c(NC(=O)c2ccco2)cc1Cl
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID654821,COc1ccc(-c2ccc(SCC(=O)N3CCOCC3)nn2)cc1OC
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID2304197,COC(=O)c1ccccc1NC(=O)CN(C)S(=O)(=O)c1cc(C)ccc1OC
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+,,,,,,,0.0,0.0,,,,,,,0.0,,CID3240268,COC(=O)c1cc(-c2ccccc2)n(CC(=O)O)c1C
+,,,,,,,,,,,,,,0.0,,,CID5779834,COc1ccc(/C=C/C(=O)Nc2cc(C)nn2-c2nc3ccccc3n2Cc2cccc([N+](=O)[O-])c2)cc1
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+,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,CID2553042,CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ncnc2ccccc12
+,,,,,,,,,,,,,,,,0.0,CID5389866,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1cccc(Br)c1
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+,,,0.0,,,,,0.0,,,,,,,,,CID655160,O=C(CCNc1n[nH]c(=O)[nH]c1=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1306422,CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
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+0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,,,,,,,,CID2554254,COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID2898109,COc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)O)ccc23)cc1
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+,,,,,,,,,,,,,0.0,,,,CID596564,CC(C)C(=O)NNc1nc2ccccc2s1
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+,0.0,,,,,,,,,,,,,0.0,,0.0,CID708078,CC(=O)c1cnc2cc(-c3ccccc3)nn2c1C
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+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID2943646,CCOc1cc(C2C(C#N)=C(N)OC(C)=C2C(C)=O)cc(Br)c1O
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+,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,CID2998445,CN1C=CC=C/C1=C(\C#N)c1nc2ccccc2[nH]1
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+0.0,,,,,,0.0,,,,0.0,,,,,,,CID3438072,O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(F)ccc2N1
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+0.0,,,,,,,,,,,,,,,,,CID3244541,CC1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)CC1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID2125057,Cc1csc(SCC(=O)Nc2ccc(Cl)cn2)n1
+,,,,0.0,,,,,,,0.0,,,,,,CID3237124,O=C(CCCn1c(=O)[nH]c2cc(Cl)ccc2c1=O)NCCN1CCN(c2ccccc2)CC1
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+0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,,CID1859783,O=c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)[nH]c2c1CCC2
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+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2939431,C/N=C1\SC(CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)N1C
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+,,,,,0.0,,,,,,,,,,,,CID5332683,N/C(=N\OC(=O)c1ccccc1Cl)c1ccccc1
+,0.0,,,0.0,,,,,,0.0,0.0,,,,,,CID2412219,CCNc1nc(NCC)n2c(SCc3nc(=O)c4ccccc4[nH]3)nnc2n1
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+,,,,,,,,,,,,,,0.0,,,CID3623922,CCN(CC)C(=O)CSc1nc2c(sc(=S)n2CC)c(=O)n1-c1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID2301154,O=C(NCc1ccncc1)C(=O)NCc1ccco1
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+,,,,,,,0.0,,,,0.0,,,,,,CID1379158,O=C(Nc1cccc(F)c1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID3292744,CCCCNC(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc12
+,,,,0.0,0.0,,,,,,,,,,,,CID2348570,COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)c1cc2c(s1)CCC2
+,,,,0.0,,,,,,,,,,,,,CID648495,O=C(Cn1c(C(=O)NCCCN2CCOCC2)cc2sccc21)c1ccccc1
+0.0,,,,,,,0.0,,,,,,,,,,CID649023,O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)NCc1ccc2c(c1)OCO2
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,CID2090188,O=C(CSCc1nc2ccccc2[nH]1)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID3244793,COc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3)no2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID911126,CC(=C/C(=O)O)/C=C/c1ccc(Cl)o1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID2204429,O=C(Nc1ccc2c(c1)OCO2)c1ccc(Br)c(S(=O)(=O)N2CCCC2)c1
+,,,,,,,,,,0.0,,,,,,,CID3230213,Cc1cc(C)cc(NC(=O)N2CCCC2C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
+,,,0.0,,,,,,,,0.0,,,,,,CID662797,Nc1nnnn1/N=C/c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2358109,CSc1ncccc1C(=O)OCC(=O)c1ccccc1
+,,,0.0,,,,,,,,,,,,0.0,,CID4548507,CCOC(=O)N1CCN(C(=O)CSc2nnc(C3COc4ccccc4O3)o2)CC1
+,,,,,,,,,,,0.0,,,,,,CID4224066,CCC(C)c1ccccc1NC(=S)Nc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID3146919,CCCCN1C(=O)NC2NC(=O)NC21
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,0.0,,CID666567,Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccco3)ccc12
+,,,,,0.0,,,,,,,,,,,,CID875192,CC(=O)Nc1ccccc1NC(=O)/C=C/c1ccccc1
+0.0,0.0,,,0.0,,,0.0,,0.0,0.0,,,,,,,CID651617,CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)OC1CCCCC1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID2979648,OC(COc1ccc2c(c1)CCC2)Cn1cnc2ccccc21
+,,,0.0,,,,,0.0,,,,0.0,,,0.0,,CID878793,CCC(=O)Nc1ccc(C(=O)n2nc(C)cc2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2955716,CC(NC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID2569758,CCN(CC(=O)Nc1ccc(OC)cc1)C(=O)c1ccc([N+](=O)[O-])cc1
+,0.0,,,,,,,,,0.0,0.0,,0.0,,,,CID657438,Cn1ncc(/N=C/c2ccccc2)c1C(N)=O
+,,,,,,,,,,,,0.0,,,,,CID5766036,O=C1NC2=C(CCCC2)C(=O)/C1=C(\O)NCC1CCCO1
+,,,,,,,,,,,,,0.0,0.0,,,CID3849479,COc1cccc(CN2C(=O)N(C(C)C)C(N(O)C(=O)NC(C)C)C2(C)C)c1OC
+,,,,,,,,,,,,,,0.0,,,CID5391326,CCO/C(O)=C1/C(=O)c2ccccc2N(CC)C1=O
+,,,,,,0.0,,,,0.0,,,,,,,CID5309688,CCOc1ccc(N(CC(=O)NCc2ccc(F)cc2)S(=O)(=O)c2c(C)noc2C)cc1
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID645694,O=C(c1ccco1)N1CCN(c2ncnc3sc4c(c23)CCC4)CC1
+,,,,,,0.0,,0.0,,,,0.0,0.0,,0.0,,CID223910,COC(=O)CSc1ccccc1C(=O)OC
+,,,,,0.0,,,,,,,,,,,,CID2767873,COC(=O)c1ccc(NC(=O)c2ccc(F)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID573187,O=C(CSCc1ccc(F)cc1)Nc1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID96863,OCC12COC(c3ccccc3)N1C(c1ccccc1)OC2
+0.0,,,,,,0.0,,,,,,,0.0,,0.0,0.0,CID1011853,O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1ccc(Br)o1
+,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID726949,CC(=O)c1c(NC(=O)C(C)C)nc(C)nc1-c1ccccc1
+,0.0,,,,,,,,,,,,0.0,,,,CID662540,CCc1ccccc1NC(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
+,,0.0,,,,,,,,,,,,,,,CID652958,CC(=O)c1c(C(C)=O)c(C)n(-c2ccc(C(=O)O)cc2)c1C
+,,,,,,,,,,,,,,0.0,,,CID789865,COc1ccc(C(=O)NNC(=O)c2cccc(F)c2)cc1
+0.0,0.0,,0.0,,,,,,0.0,,,,,,,,CID661187,c1ccc(-n2ncc3c(NCCCN4CCOCC4)ncnc32)cc1
+,,,0.0,,,,0.0,,,0.0,0.0,,,,,,CID3240795,Cc1ccc(CN2C(=O)CCC2C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+0.0,,,,,,,,,,,,,,0.0,,,CID657502,O=C1CCCC2=C1C(c1ccccc1)CC(=O)N2c1ccccc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID2883279,O=C(Nc1ccccc1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID6096711,Cc1ccc(S(=O)(=O)N2CCC(=O)N(CCOCc3cccc(F)c3)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID9498,O=C(NN=C1CCCC1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID3174912,Cc1ccc(-c2nnn(CC(=O)N(Cc3cccs3)C(C(=O)NC3CCCCC3)c3ccco3)n2)o1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID3132789,CCOC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2543146,CC(=O)NNc1ncnc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID697627,CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID805057,Cc1cc(C)n(C(=O)CSc2ccc(Cl)cc2)n1
+0.0,,,,,0.0,,,,,,,,,,,,CID5308090,CCn1cc(C(=O)NCCCN2CCC(C)CC2)c2cc(OC)c(OC)cc2c1=O
+,,,,0.0,,,0.0,,,,,,,,,,CID662140,CCOC(=O)c1c(C)n(C)c2ccc(OC)c(NC(=O)CN3CCSCC3)c12
+,,,0.0,,,,,0.0,,,,,,,,,CID2224533,O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCC1
+0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,CID665687,Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2oc3ccccc3c2n1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID2310632,Cc1csc(C2=C(N)N(CCc3ccccc3)CC2=O)n1
+,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,CID1314389,COc1ccc(OC)c(N(CC(=O)Nc2ccc(NC(C)=O)cc2)S(C)(=O)=O)c1
+,,0.0,,0.0,,0.0,,0.0,,,,,,,,,CID2366453,CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3ccc4c(c3)OCCO4)o2)c1
+,1.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,CID659763,c1ccc2c(N3CCCC3)nc(-c3ccncc3)nc2c1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID925438,Cc1ccc(C)c(C(=O)NCCN(C)C)c1
+,,,,,,,,,,,0.0,,,,,,CID5771395,C=CCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(Br)ccc1F
+,,,,,,,,,,,0.0,,0.0,,,,CID2322807,O=C(O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,0.0,0.0,,,0.0,,0.0,,,,,,0.0,0.0,CID660780,COc1cc(N2CN=c3s/c(=C\c4ccccn4)c(=O)n3C2)cc(OC)c1OC
+,,,0.0,,,,,,,,,,,,,,CID3238856,CCOc1ccccc1C1N(c2ccc(F)cc2)C(=O)C2CCCN21
+,0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0,CID1208332,COc1ccc(-n2cnc3c(sc4nccc(N(C)C)c43)c2=O)cc1
+,,,,,0.0,,,0.0,,,,,,0.0,,,CID2215585,C=CCOc1c(CNc2ncn[nH]2)cccc1OC
+,0.0,,,,,,,,,,,,,,,,CID5389846,C/C(Cl)=C\Cn1c(NCCCn2ccnc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,0.0,,,,,,,,,,0.0,,0.0,CID3242303,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc(F)cc4s3)cc2)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID2769310,COc1ccc(NC(=O)c2cc(-c3ccccc3Cl)no2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID1323703,CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1
+,,,,,0.0,,,,,,,,,,,,CID6523624,CCOc1cccc(Oc2ncccc2C(=O)/C(C#N)=C/N(C)C)c1
+,,,,,,,,,,,,,,0.0,,,CID1149131,CC(C)(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID3239812,Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)Nc3ccc4c(c3)OCCO4)ccc21
+,,,,,,,0.0,,,,,,,,0.0,,CID4458126,COc1cccc(-c2nnc(NC(C)=O)o2)c1
+,,,,,,,,,,0.0,,,,,,,CID747184,Cc1cc2nc(SCCN3CCOCC3)[nH]c2cc1C
+0.0,,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID669560,O=C(NCCN1CCOCC1)c1ccccc1Oc1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID3243607,Cc1nc2c(C(=O)N3CCN(c4ccccn4)CC3)cnn2c(C)c1Cc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID601275,CCc1nnc(NC(=O)CSc2nc(C)cc(C)c2C#N)s1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID655071,CCC(C)(C)n1nnnc1C(C(C)C)N1CCC(C(N)=O)CC1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID729497,O=C(CSc1nc(=O)c2ccccc2[nH]1)N1CCOCC1
+,,,0.0,,,0.0,,,,,,,,,,,CID843776,CCNc1nc(NCC)nc(Nn2cnnc2)n1
+0.0,,,,,,,,,,,,,,,,,CID5309714,CC1CCCCC1NC(=O)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID2998258,COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)N2CCCC2=O)cc1OC
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+0.0,,,,,,,0.0,,,,,,,,,,CID2118205,CCn1c(SCC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)nnc1-c1cccnc1
+,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,,CID655429,CCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1
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+,,0.0,,,,,,,,,0.0,,,,,,CID2997852,CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1
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+,,,,,,,,,,,,,0.0,,,,CID1534754,Cc1ccccc1NC(=S)NNC(=O)c1cccc(Br)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID1151087,O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1
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+,,,0.0,,,,,,,,,,,,0.0,,CID3242263,Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)NCc2ccco2)o1
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+0.0,,,0.0,,,,,,,,,,,,,0.0,CID660521,N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCC2
+,,,,,,0.0,,,,,0.0,,,0.0,0.0,0.0,CID651503,C=CCn1c(Br)nc2c1c(=O)n(C)c(=O)n2C
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+,,0.0,,,,,,,0.0,,,,,,,,CID1242955,c1ccc2sc(NC3=NCN(Cc4ccc5c(c4)OCO5)CN3)nc2c1
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+,,,,0.0,0.0,,0.0,,,,,,,0.0,,0.0,CID3236906,Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)c1
+0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,,CID3236985,O=C(c1coc(=O)c2ccccc12)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3247382,COC(=O)C1CC1C(NC(=O)OCc1ccccc1)c1ccccc1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID651523,Cc1ccccc1C(=O)NC1CC(C)(C)NC(C)(C)C1
+,0.0,,,,,,,,,0.0,,,,0.0,,,CID666834,COC(=O)Cn1c2ccc(F)cc2c2nc(C)sc21
+,,,,,,,,,,,,,,,0.0,,CID3243865,O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID1294263,Nc1[nH]c(SCc2nc(-c3ccccc3)no2)nc(=O)c1-c1ccccc1
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID781997,COc1cccc(N2CCN(Cc3cccnc3)CC2)c1
+,,,,,,,,,,,0.0,,,,,,CID799265,COc1ccc(CCNC(=S)Nc2cc(C)cc(C)c2)cc1
+0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID872357,CN1CCN(c2nc(-c3cccnc3)nc3ccccc23)CC1
+,0.0,,,,,,,,,,,0.0,,,,,CID3237884,CCOC(=O)N1CCC(N(CCOC)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID7455842,CCCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n[nH]c1=O
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+0.0,,,,,,,,,,,,,,,,,CID1240569,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccccn1
+,,,,,,,,0.0,,0.0,,,,,,,CID1250699,COc1ccc(NC(=O)CN2CCC(C(N)=O)(N3CCCCC3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID659813,O=C(NCc1cccnc1)NC(C(F)(F)F)C(F)(F)F
+,,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,CID644685,COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2cc(C)ccc2C)cc1
+0.0,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,,CID2965115,O=C(CCC1COc2ccccc2O1)Nc1ccc(Cl)cn1
+,,,,,,,,,,,0.0,,,,,,CID1250182,O=C(Cc1ccc2c(c1)CCCC2)Nc1ccccc1Br
+,,,0.0,,,0.0,,,,,,,,,,,CID2998365,COc1ccccc1CC1(C)NC(=O)N(CC(=O)Nc2cc(C)on2)C1=O
+,,0.0,,,0.0,,,,,,,,,0.0,,,CID648808,CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)o1
+,,,,,,,,0.0,,,,,,,,,CID844747,Cn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID945223,Cc1[nH]c(Nc2ccc(F)cc2)nc(=O)c1CCC(C)C
+,,,,,,,,,0.0,,,,,,,,CID1094856,C=CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1504355,Cc1ccnc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1
+0.0,,,0.0,,,,0.0,0.0,,,0.0,,,,,0.0,CID892392,CC(=C1C(=O)c2ccccc2C1=O)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID828590,Cc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1
+,,,,,,,,0.0,,,,,,,,,CID650604,Cc1csc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)n1
+0.0,,,,,0.0,,,0.0,,,,,0.0,,,,CID651508,COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)c2ccco2)C2CC2)c1OC
+,,,,,0.0,,,,,,,,,,,,CID2915169,O=C1C2C3C=CC(C3)C2C(=O)N1/N=C/c1cn(Cc2ccc(F)cc2)c2ccccc12
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID664493,CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1
+,,0.0,,,,,,,0.0,,,,,,,,CID2224079,Cc1csc(SCC(=O)N2CCCC2)n1
+,,0.0,,,0.0,,,,,,,,,0.0,,,CID666765,Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2
+,,,,,,,,,,,0.0,,,,,,CID3222691,Cc1ccc(NC(=O)NC2(C(=O)NCc3ccccc3)CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID5309649,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2956270,Cc1cc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)no1
+,,,,,,,,,0.0,,0.0,,,,,,CID2371694,Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID827780,O=C(NNc1nc(-c2ccc(Cl)cc2)cs1)c1ccco1
+,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID3241773,COCCCNC(=O)C1CCN(S(=O)(=O)N(CC(C)C)CC(C)C)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID665033,Cn1c(-c2ccc(Br)o2)nc2ccccc21
+,,,,,,,0.0,,,,,0.0,,,,,CID5310351,COc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cccc(C)c4)c3n2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID2445624,CC(C)(C)NC(=O)c1nc2ccccc2s1
+,,,,,0.0,,,,,,,,,,,,CID3222718,Cc1ccc(CNC(=O)C2(NC(=O)Nc3ccc(C)cc3)CCCCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID743143,O=C(O)CCNC(=O)c1cncc(Br)c1
+0.0,,,,,,,0.0,0.0,,,,,,,,,CID2999452,O=C(c1ccccc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1
+,,,,0.0,0.0,,,,0.0,,0.0,,,,,,CID3240089,COCCCNC(=O)c1cc2c(s1)CS(=O)(=O)C2
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID5309103,COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID2405206,COC(=O)c1sc(S(=O)(=O)N2CCC(C(=O)O)CC2)c(C(=O)OC)c1C
+,,,,,,,,,,,,,0.0,,,,CID2193932,Cc1nc2cc(NC(=O)NCCCO)ccc2o1
+,,,,,,,,0.0,,,,,,,,,CID2234251,CSc1ncc(Cl)c(C(=O)Nc2nnc(SC/C=C/c3ccccc3)s2)n1
+0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID666219,Cc1cccc2cc(CN(Cc3ccco3)C(=O)c3cccs3)c(=O)[nH]c12
+,,,0.0,,,,0.0,,,,,,,,,,CID2943677,OC(COc1ccc(OCc2ccccc2)cc1)CN1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID3146129,COc1cccc(NC(=O)C2CCCCC2)c1
+,,0.0,,,,,,,,,,,0.0,,,,CID5309683,Cc1cc(C)cc(NC(=O)CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)c1
+,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID665739,COc1cccc(C(=O)Nc2ncc3c(n2)CC(C)CC3=O)c1
+,,,,,,,,,,,,,0.0,,,,CID5909652,COC(=O)C(O)(c1ccc(N/C=C2\C=CC=CC2=O)c(C)c1)C(F)(F)F
+,,,,,,,,0.0,,,,,,,,,CID712311,CCOC(=O)c1c(N)nn(C(=O)C(C)C)c1-c1ccc(OC)cc1
+0.0,,,,,,,,,,,0.0,0.0,0.0,,,,CID2220889,COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC
+0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,CID3239257,CCOC(=O)N1CCN(C(=O)CSc2nc(-c3cccc(C)c3)ns2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2975593,CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CN2CCOCC2)cc1
+,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,CID2354159,O=C(Nc1ncccc1O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID714484,Cc1cc(CN2CCOCC2)c(O)c(C2(C)CCCCC2)c1
+,,,,,,,,,,,0.0,,,,,,CID3764964,CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID658847,COc1ccccc1NC(=O)c1cc(C(=O)O)ccc1C(=O)O
+,,0.0,,,0.0,,,,,,,,,,0.0,,CID2849332,CSc1nnc2c(n1)OC(C1CC=C(C)CC1)Nc1ccccc1-2
+,0.0,,,,,,,0.0,,,,,,0.0,,,CID647829,Cc1n[nH]c(=O)nc1NCc1ccco1
+,,,,,,,0.0,,,,,,,,0.0,,CID5307690,COCCNC(=O)CS(=O)Cc1nc(-c2ccc(OC)cc2)oc1C
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID651501,CN1CCN(c2c[nH]c(=O)[nH]c2=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID2054164,Cc1c(NC(=O)Nc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID3240728,O=c1nc2c(-c3ccccc3F)n[nH]n2c2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID2109330,COC(=O)c1ccc(CN(c2ccccc2OC)S(=O)(=O)c2cccs2)o1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID3244198,Cc1ccnc(N2CCN(C(=O)CSc3nc4ccccc4nc3N3CCCCC3)CC2)c1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID653523,CCOc1ccccc1NC(=O)CSc1nnnn1-c1ccc(C(=O)OC)cc1
+,0.0,,,,,,,,,,,,,,,,CID648910,Cc1ccnc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
+,0.0,,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,CID2196864,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1
+,,,,,,,0.0,,,,,0.0,,,,,CID2487241,CCC1(CC)NC(=O)N(CC(=O)OCn2nnc3ccccc3c2=O)C1=O
+0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID655640,CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID704306,Cn1c(CSc2nc3ccccc3s2)n[nH]c1=S
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID663685,CCCC(=O)Nc1nn(C)c2nc3c(C)cccc3cc12
+1.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,0.0,CID2952584,c1ccc2c(c1)oc1c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)ncnc12
+,,,,,,,0.0,,,,,,,,0.0,,CID573572,COc1cc(O)c2c(c1)OC(C)(C)CC2=O
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID645151,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3F)n2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID2203881,O=C1NC(=O)C(=Cc2ccccc2OCc2ccccc2F)C(=O)N1
+0.0,,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,,CID3236005,O=C(CCCNS(=O)(=O)c1cccc2nsnc12)N1CCCCC1
+,,0.0,,,,,,,,0.0,,,,,,,CID3245410,CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)Nc3cc(C(=O)O)ccc3C)ccc21
+,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID645265,COc1ccc(OC)c(-n2nnnc2SCC(=O)Nc2nc(C)c(C)s2)c1
+,,,,,,,,,,,,0.0,,,,,CID5771369,COc1ccccc1C1/C(=C(/O)c2ccccc2)C(=O)C(=O)N1CC(C)O
+,,,,0.0,,,0.0,,,,0.0,,,,,0.0,CID2839016,COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)C3)c(OC)c1OC
+0.0,,,,,,,,,,,,,,,,,CID3341719,COCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,,,0.0,,,,,CID2029829,CCOC(=O)CCc1c(C)nc(SCCCn2c(=O)[nH]c3ccccc32)c(C#N)c1C
+,,,,,,,,0.0,,0.0,,,,,,,CID1263245,CN1CCN(c2ccccc2NC(=O)COc2ccc(Br)cc2)CC1
+,,,,,,,,0.0,,,,,,,,,CID5742520,NC1=NC(c2ccc(F)cc2)N2C(=N1)Nc1ccccc12
+,,,,,,,,,,,,0.0,,,,,CID2997801,COCCn1c(CCC(=O)O)nc2c1c(=O)[nH]c(=O)n2CC(C)C
+,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID5389855,CCCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCN(C)C)C23C(=O)N(C)c2ccccc23)cc1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID2394979,Cc1ccc(C(=O)CSc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3o2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2974285,Cc1ccc(-c2cc(C(=O)NCC3CCCO3)no2)cc1
+,,0.0,,,,,0.0,,0.0,,,,,0.0,,,CID871461,CCOC(=O)COc1ccc(CCNC(C)=O)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2765903,CCOC(=O)c1cnn(-c2ccccc2)c1-n1cccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3296027,Cc1ccc(S(=O)(=O)O/N=C2\CCCc3occc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID2909442,O=C(O)CC1SC(N/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NC1=O
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID3551006,Fc1cccc(CSc2nc3ccncc3[nH]2)c1
+,,,,,,,,,,,0.0,,,,,,CID1484130,CSc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1
+,,,,,,,,,0.0,,,,,,,,CID2533086,Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1C(F)(F)F
+,,,,,,,,,,,,,,,,0.0,CID1160764,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)NC1CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID266835,Cc1ccc(S(=O)(=O)N(C)c2ccc(N)cc2)cc1
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID2282660,CCCCC(=O)Nc1ccc(Br)cc1C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1369768,CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID2529155,O=c1cc(Cn2nnc(-c3ccc(Cl)cc3)n2)nc2sccn12
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID5309324,O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCC3)c(=O)c2=O)CC1
+,,,,,,,,,,,,0.0,,,,,CID2081875,CCC1(CC)NC(=O)N(CC(=O)Nc2sc3c(c2C(N)=O)CCC3)C1=O
+0.0,,,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,CID646781,CCOc1ccccc1-n1c(SCC(=O)NC(C)CC)nnc1-c1ccoc1C
+0.0,,0.0,,,,,,,,,,0.0,0.0,,,,CID655502,CCOc1ccc2[nH]c(=O)c(CN(CCO)C(=O)c3ccccc3F)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID1506549,COc1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4639272,COCCNC(=S)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1218173,O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccn1
+,,,,,,,,,0.0,,,,,,,,CID655148,CS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1
+,0.0,,0.0,0.0,,,,,0.0,,,,,,,,CID826444,CCn1cc(C2N3CC4(C)CN2CC(C)(C3)C4=O)c2ccccc21
+,,,,,,0.0,,,,,0.0,,,,0.0,,CID3242017,CCOC(=O)CCn1nc(-c2ccccc2)cc1N
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID657870,CN1CCN(CC(=O)N(C)c2nc(-c3ccccc3)cs2)CC1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,0.0,,CID846414,CCOc1ccc(S(=O)(=O)N(CC(N)=O)c2ccc(C)cc2)cc1
+,,0.0,,,,,0.0,,0.0,,0.0,,,,,,CID2935139,Cc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID1139748,COc1ccccc1N(CC(=O)Nc1cccnc1)S(=O)(=O)c1ccccc1
+0.0,0.0,,,,0.0,0.0,,0.0,,,0.0,,,,,,CID658227,Cc1cc(C)c(NC(=O)OCCN2CCOCC2)c(C)c1
+,,,,0.0,,,,,,,,,,,,,CID2998270,CC(C)CN(C(=O)CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)C1CCS(=O)(=O)C1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID658836,O=C1CC(c2ccco2)CC(=O)C1=CNc1cc(Cl)ccc1O
+,,,,,,,,,,,,,,,,0.0,CID656227,Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N(C)C)cc1
+0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,,0.0,CID2570893,Cc1nnc(NC(=O)Cc2ccc(OCc3c(C)noc3C)cc2)s1
+,,,0.0,,0.0,,,,,,,,,,,,CID4992762,CCC(C)(C(=O)NC1CCCC1)N(C(=O)c1cnccn1)c1ccccc1
+0.0,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID654998,Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2ccoc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1214828,Cc1nn(C)c(Oc2ccccc2)c1[N+](=O)[O-]
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID2081197,O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID897017,COC(=O)c1sccc1NC(=O)c1ccco1
+,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,0.0,,CID2128618,COCCn1c(C)cc(C(=O)COc2nc3ccccc3nc2C)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID892422,Cc1nnc(SCc2c(Cl)cccc2[N+](=O)[O-])s1
+,,,,,,,,,,,,,0.0,,,,CID2416148,CCNC(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-]
+,,,,,,,,0.0,,0.0,,,,,,,CID2084340,O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1543264,CCn1c(SCC(=O)N/N=C/c2cc(OC)c(OC)c(OC)c2)nc2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID3240339,COc1ccc(N2CCN(CCNC(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2894797,O=C(O)C12C3CCCC1C32c1ccccc1
+,,,0.0,,,,,,0.0,,,0.0,,0.0,,0.0,CID2206159,CCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(OC)c(OC)c1
+,,,,,,,,0.0,,,,,,,,,CID1306572,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID5307206,CCOc1ccc(C2CC(c3ccc(OC)cc3)N3NC=NC3=N2)cc1
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID972891,CC(C)(C)NC(=O)Cn1cc(C#N)c2cc(Br)ccc21
+,,,,,,,,,,,,,0.0,,,,CID2079171,COc1ccccc1NC(=O)COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID716651,O=S1(=O)N=C(NCc2ccco2)c2ccccc21
+,,,,0.0,,,,,,,0.0,,,,,,CID661051,CCCn1nc(Oc2nc(SC)nc(N(C)C)n2)ccc1=O
+,,,,,,,,,,,,,0.0,,,,CID1479597,Clc1ccc(-c2cc(CSc3ccccc3)on2)cc1
+0.0,,0.0,,,,0.0,,0.0,,,,0.0,,,0.0,0.0,CID1034468,O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1259495,O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID4884815,O=C(CN1CCN(c2ccccn2)CC1)NC1CCCCC1
+,0.0,,,,,,,,,,,,,,,,CID5742512,NC1=NC(c2ccccc2Cl)N2C(=N1)Nc1ccccc12
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID3242073,Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)cc1C
+,,0.0,,,,,,,,,,,,,,0.0,CID664710,COc1ccc(-c2nc(C#N)c(NCc3ccc(F)cc3)o2)cc1OC
+,,0.0,,,0.0,,,0.0,,,,,,,,,CID2999426,CCC(C(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1)c1ccccc1
+0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,,,CID652473,COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccco1
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+,0.0,,,,,,,,,,,,,,0.0,0.0,CID655140,COC(=O)CSc1nnc(-c2cccnc2)n1-c1cc(OC)cc(OC)c1
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+,,,,,0.0,,,,,,,,,,,,CID5346268,O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)C=C(c2ccccc2)N1c1ccc(O)cc1
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+,,,,,,,,,,,,,0.0,,,,CID4595578,Cc1ccn2c(NC3CCCC3)c(-c3ccncc3)nc2c1
+,,,0.0,0.0,,,,,,,,,,,,,CID2998539,CC1Cc2ccccc2N1CC(=O)NC(=O)NCc1ccco1
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+,,,,0.0,,,,,,0.0,,0.0,0.0,,,,CID1252494,CSc1ccccc1C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2779962,Nc1cc(C(F)(F)F)ccc1-n1cccc1
+,,0.0,,,,,,,,,,,,,,,CID648047,CC(=O)N(Cc1cc2ccc(C)c(C)c2n2nnnc12)C1CCCC1
+0.0,,0.0,,,,,,,0.0,,,0.0,0.0,,,,CID715023,COc1ccc(NS(=O)(=O)Cc2ccccc2Cl)cn1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID1246309,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID3181355,COCCn1c(SCC(=O)Nc2nnc(C)s2)nnc1-c1ccco1
+,,,,,,,,,,,0.0,,,0.0,,,CID934102,Cc1csc2nc3ccccc3c(=O)n12
+,,,,,,,,,,,,0.0,,0.0,,,CID3245794,COc1ccccc1CNC(=O)CCNC(=O)Cn1cnc2ccccc2c1=O
+0.0,,,,0.0,,,0.0,,,,,0.0,,,,,CID1131710,COc1ccc(CN2CCN(C(=O)c3cccs3)CC2)c(OC)c1OC
+,,0.0,,,,,,,,,,,,,,,CID661146,CCCCC(CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O
+0.0,,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,CID2998304,CC1=C(C#N)C(c2cn(-c3ccccc3)nc2-c2cccs2)C(C#N)=C(C)N1
+,,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,,CID2867240,CC(Sc1n[nH]c(=O)[nH]c1=O)C(=O)OCc1ccccc1
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID3239052,CC1(C)CC(=O)C2=C(C1)OC(c1cccs1)C(C#N)=C2N
+,,,,,,,,,,,,,,0.0,,,CID747460,Cc1cc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)no1
+,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID661167,CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID2921504,Nc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1
+,,,,,,,,,,,,,0.0,,,,CID705991,Cc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1
+0.0,0.0,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,CID663095,O=S(=O)(Nc1nc2ccccc2nc1NCc1ccco1)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1040793,Cc1ccc(NC(=O)c2ccc(OC(=S)N3CCOCC3)cc2)cc1
+,,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID652145,CC1=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC(C)(C)C)C3CCCC3)N2C=C1
+,,,,,,,,,,,,,0.0,,,,CID2287823,CS(=O)(=O)N(CC(=O)NCCSCc1ccco1)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID6401112,CCOc1ccc(-c2nnc(N3CCCCC3)c3ccccc23)cc1
+,,0.0,,,,0.0,,,,0.0,,,,,,0.0,CID3243390,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)Oc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5347535,CCCOc1ccc(/C=N/N2CCN(Cc3ccc(C)cc3)CC2)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID761640,COc1cc(C2Nc3cccc4cccc(c34)N2)cc(OC)c1O
+0.0,0.0,0.0,,1.0,0.0,,,,,0.0,,,,,,0.0,CID665093,C=CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccccc1OC
+,,,,,,,,,,,,,0.0,,,,CID5372738,COC1=CC=C/C(=C\NNC(=O)c2c(-c3ccccc3)noc2C)C1=O
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID1964281,c1csc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1
+,,,,,,,,,,,,,0.0,,,,CID1803128,COCCSc1ccccc1C(=O)Nc1ccc(Cl)cn1
+,,,,,0.0,,,,,,,,,,,,CID687274,Cc1ccc(NC(=O)CSc2ccccn2)cc1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID727091,COc1ccccc1N1CCN(Cc2ccccc2F)CC1
+,,,,,,,,,,,,,,0.0,,,CID5854953,CN(C)C(/C=C/Nc1ccc([N+](=O)[O-])cc1)=C(C#N)C#N
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+,,,,,,0.0,,,0.0,,0.0,,,,,,CID1255888,CSc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3228049,COc1ccc(CCNC(=O)CSc2ccc(-c3ccccc3)nn2)cc1OC
+,,,,,,,,,,,,,,,0.0,0.0,CID5307711,COc1ccc(C2C(C(N)=O)=C(C)N=C3N=C(c4ccccc4Cl)NN32)c(OC)c1
+,,,0.0,,,,,,,0.0,,,,,,,CID5769638,CC1=CC2=c3cc(C)cc(C)c3=NC(c3ccc4c(c3)OCO4)N2N1
+,,,,,,,,,,,,,0.0,,,,CID1116476,CC1=C(C(=O)OC(C)C)C(c2cccs2)C(C(=O)OC(C)C)=C(C)N1
+,,,,0.0,,,0.0,,,,,,,,,,CID4107,COc1ccccc1OCC(O)COC(N)=O
+0.0,0.0,,,,,0.0,,,,,0.0,,,0.0,,,CID803394,CCOc1ccccc1OCCn1nnc2ccccc21
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID665493,COc1cccc(OC)c1-c1nn2c(-c3cc(-c4ccccc4)n[nH]3)nnc2s1
+0.0,,,0.0,,,,,,,0.0,,,,,,0.0,CID2956776,CCCCc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID773579,Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)nc1
+0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0,,CID646663,O=C(NC1CCCC1)C(c1ccco1)N(Cc1ccccc1)C(=O)c1csnn1
+,,,,,,,,,,,,,,,,0.0,CID663938,COC(=O)C(NC(=O)N(C1CCCCC1)C1CCCCC1)C(C)C
+,,,,,,,,,0.0,,,,,,,,CID658025,CCOC(=O)c1c(SC)nc(SC)c2c1CCC2
+,,,,,,,,,0.0,,,,,,,,CID974485,CCn1c(COc2cccc(C)c2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID693255,O=Cc1nc(-c2ccccc2Cl)n2ccccc12
+0.0,0.0,,,,0.0,,,,,,,,,,0.0,,CID848736,CC(C)(C)c1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID647041,O=S(=O)(Nn1cnnc1)c1ccccc1Cl
+,,,0.0,,,,,,,,,,,,,,CID2392367,CCNc1nc(NCC)n2c(SCC(=O)O)nnc2n1
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID3239924,CCCN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O
+0.0,,,,,,,,,0.0,,,0.0,,,,0.0,CID2232007,Cc1ccc(-c2nnc(-c3ccc(NC(=O)c4ccco4)cc3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4280122,COc1cc2[nH]c(=S)nc(NCc3cccs3)c2cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2432422,Cc1cc(C(=O)OCC(=O)N(C)c2ccccc2)ccc1[N+](=O)[O-]
+,,0.0,,,,,,,,,,,0.0,,,,CID2999524,Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccn2)n1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID658311,Cc1cc(Cn2ccnc2)c(C)cc1Cn1ccnc1
+,0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,CID650695,Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
+,,,,0.0,,,,0.0,,,,,,,,,CID1246514,CCSc1nnc(NC(=O)c2ccc(Br)s2)s1
+,,,,,,,,,,,,,0.0,,,,CID2498342,Cc1c(C(=O)NCc2cccs2)oc2ccc(Br)cc12
+,,0.0,,,0.0,,,,,,,,,,,0.0,CID5396602,Cc1cc(C)c2c(=O)nc(SCC(=O)N3CCCCC3)[nH]c2n1
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+,0.0,,,,,,0.0,,,,,0.0,0.0,,,,CID3796447,CN(C)/C=N/c1ccc2nn(-c3ccccc3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID567549,Cc1ccc(SCC(=O)Nc2cc(C)on2)cc1
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+,,,,,,0.0,0.0,,,0.0,,,,,0.0,,CID715075,Nc1ccc2c(c1)COc1ccccc1O2
+,,,,,,,,,,,,,,0.0,,,CID6414329,CC(C)N1C(=O)/C(=N\Nc2ccc(Cl)nn2)c2ccccc21
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+,0.0,,0.0,,,,,,,,,,,,,0.0,CID88044,CC(=O)Nc1cccc(Cl)c1C(=O)O
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+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID665219,COCCN1CN=C(Nc2nc3ccccc3s2)NC1
+,,,,,,,,,,0.0,,,,,,,CID3228193,CC1Cc2ccccc2N1c1ncnc2c1nnn2Cc1ccccc1Cl
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID2947611,COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2nc3c(s2)CCCC3)cc1
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+,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID268689,O=C(NCCN1C(=O)CSC1=O)c1ccccc1
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+,,,,,,,0.0,,,,,0.0,,,,,CID666357,Cn1c2c(c(=O)n(C)c1=O)C(CC(=O)Nc1ccccc1)C(=O)N2
+,,,,,,,,,,,,,0.0,,,,CID2437957,COc1ccccc1N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cccs1
+,,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID1245852,CCc1noc(C)c1C(=O)NCCc1ccc(OC)c(OC)c1
+,0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID773246,Cc1nonc1NC(=O)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID4264966,CN1CCN(c2ccc(-c3ccnn3C(=O)Nc3ccccc3)cc2)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID835197,Cc1cccc(N(CC(=O)Nc2ccccc2F)S(C)(=O)=O)c1
+,,,,,,,,,,,,0.0,,,0.0,,CID424338,c1ccc2c(c1)Cn1c-2nc2ccccc21
+,,,,,,,,0.0,,,,,,,,0.0,CID651513,COc1ccc(-c2cc3ccccc3n2CC(O)CN2CCOCC2)cc1
+,,,,0.0,,0.0,,,,0.0,,,,0.0,,,CID655017,O=C(CN(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2)NC1CCCCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID3244593,CCOC(=O)c1c(C)c(C(=O)NC(C)COC)c(C)n1C
+,,,,0.0,0.0,0.0,,,,,,,,,,,CID651607,O=C1CNC(c2cccs2)=c2c3c(sc2=N1)CCCC3
+0.0,,,,,,,,,,,,0.0,,0.0,0.0,,CID648415,O=C(NC1CCCCC1)NC1(C(=O)NCCCN2CCOCC2)CCCCC1
+,,0.0,0.0,,,,,,,,,0.0,,,1.0,0.0,CID1379247,COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c1
+,,,,,,,,,,0.0,,,,,,,CID3706586,CN1C(=O)N(C)C2(c3ccccc3)Nn3c(s/c(=C\c4ccccc4)c3=O)=NC12c1ccccc1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID664882,Cc1ccc2[nH]c(=O)c(CNC(C)C)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID1134639,Nc1cc(=O)nc(SCC(=O)Nc2ccc(Br)cc2)[nH]1
+,,,,,,,,,0.0,,,,,,,,CID4081975,COc1cccc(CNC(=O)c2nnn(-c3ccc(OC(F)(F)F)cc3)c2N)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID1860644,Cc1cc(C)n(-c2ccc(Cl)c(C(=O)O)n2)n1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3245034,CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
+0.0,,,,,,,0.0,0.0,0.0,,,,,,,,CID3240465,O=C(c1cccc2c1C(=O)N(Cc1cccnc1)C2)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID829590,N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1717915,CCn1c2ccccc2c2cc(NC(=O)C(C)C)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2889610,CCC(C(=O)NCc1ccccc1)c1ccccc1
+,,,,,,,,,,0.0,,,,0.0,,,CID1080104,CCc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)o1
+,0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID3242394,Cc1nn(C)c(C)c1S(=O)(=O)N1CCc2ccccc21
+,,,,,,,,,0.0,,0.0,,0.0,0.0,,,CID1072978,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)N1CCCC1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID648992,COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC(C)C)C2c1ccc(OC)c(O)c1
+,,,,,,,,,0.0,,,,,,0.0,,CID2915112,CC(CC(=O)Nc1ccncc1)c1ccccc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3240176,CCS(=O)(=O)NC(C)C(c1cccs1)N1CCN(C)CC1
+,,,,,,,,0.0,,,,,,,,,CID2057112,CC(C(=O)NC1=NCCS1)(C(F)(F)F)C(F)(F)F
+0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID2229146,COc1ccc(OC)c(NC(=O)Cn2cc(C#N)c3ccccc32)c1
+,,,,,,,,,,,0.0,,,,,,CID4766211,CC1=NN(C(=O)c2cccc(Cn3nc(C)c([N+](=O)[O-])c3C)c2)C(O)(C(F)(F)F)C1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2962360,CC1=C(C#N)C(NC(=O)c2ccco2)(C(F)(F)F)C(=O)N1
+,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,CID652261,CCn1c(COc2cccc3ccccc23)nnc1SCC(N)=O
+,,,,,0.0,,,,,,,,,,,,CID4662775,CC(Sc1nnc(Cc2cccs2)n1C1CCCCC1)C(=O)NCc1ccco1
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,CID627975,COC(=O)c1ccc(Cn2nc(C)c(Br)c2C)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID666639,CC(=O)Cn1c(CN2CC(C)CC(C)C2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,,0.0,,0.0,0.0,,,,,,,,0.0,,CID658693,CC1=C(Sc2nc3ccccc3[nH]2)C(=O)NC(C)(C)C1
+,,,,,,,,,,0.0,,,,,,,CID6623002,O=C(C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3618917,CCN(c1ccc(C)c(C)c1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,CID2999174,CC(Cc1cccs1)NC(=O)NC1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2616128,Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1C1CC1
+,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,CID3238426,COc1ccc(C2C(C(=O)N3CCC(C)CC3)c3ccccc3C(=O)N2C)cc1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID3243239,Cc1ccc(S(=O)(=O)N2CC3CCC2C3)cc1
+,,,,,,,,,,,,0.0,,,,,CID6411267,O=C(/C=N/O)NCc1ccncc1
+0.0,0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID654853,O=C(COc1ccccc1)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID653832,COc1ccccc1NC(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,CID1568418,Cc1ccc(C)c(OCCCC(=O)O)c1
+,,,,,,,,,,,,,,,0.0,,CID2201704,C=CCOC(=O)CCCC(=O)NC1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID7824863,CN(C(=O)c1c(Cl)cnn1C)C12CC3CC(CC(C3)C1)C2
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+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2231671,C=CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1cccc(F)c1
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+,,,,,,,,,,,,,0.0,,,,CID877977,CCC(=O)c1ccc(OCc2ccc(C(=O)OC)cc2)cc1
+,,0.0,,,,,,,0.0,,,0.0,0.0,,,0.0,CID652602,COc1cc2cc(CN(Cc3nnnn3Cc3ccccc3)CC3CCCO3)c(=O)[nH]c2cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID4163491,CCOC(=O)C(CC(C)C)NC(=O)CCN1C(=O)c2ccccc2C1=O
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+,,,,,,,,,,,,,,0.0,,,CID322349,Cn1c(N)c(C(=O)c2ccccc2)c(=O)n(C)c1=O
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID666655,COc1ncnc2c1oc1nc(CC(C)C)c3c(c12)CCCC3
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID661303,Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID3239293,CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1
+,0.0,,,,,,0.0,0.0,0.0,,,,,,,,CID3241334,COc1ccc(CCNC(=O)c2cc(-c3ccccc3OC)on2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2206660,COc1ccc(NC(=S)N2CCN(C/C=C/c3ccccc3)CC2)cc1OC
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID2904610,CCOC(=O)C1CCCN(C(=O)Cc2ccc(OC)c(OC)c2)C1
+,,,,,,,,,,,,,0.0,,,,CID9587820,COc1ccc(/C(N)=N/OC(=O)C2CCC(=O)N2S(=O)(=O)c2ccc(C)cc2)cc1OC
+,,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,CID1252089,Nn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12
+0.0,,,,,0.0,,,,,,,0.0,,,,0.0,CID646832,CCn1c(COc2ccccc2)nnc1SCC(=O)CC(=O)Nc1ccccc1OC
+,,,,,,,,,,,,,0.0,,,,CID1482061,Oc1csc(Cc2nc(-c3ccc4ccccc4c3)cs2)n1
+,,,,,,,,,,,0.0,,,,,,CID1483614,O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID5307956,Cc1ccc(N2C(=O)c3ccccc3C2Nc2ccc(Br)cn2)nc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2965302,CCOC(=O)c1cnn(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c1N
+,,,,,,,,,,,,,0.0,,,,CID1722677,COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(Cc2ccccc2)c1C
+,0.0,,0.0,,0.0,,,,0.0,,,,,,,,CID2254375,COc1ccccc1NC(=O)CSc1ncn[nH]1
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+,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID2945018,Cc1ccc(CC2CC(=O)N(c3ccc(Cl)cn3)C2=O)cc1
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+,,,,,,,,,,,0.0,,,,,,CID920008,Cc1c(C)n(C(=O)CN2CCC(C)CC2)c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID417352,OC(COc1cccc2ccccc12)CN1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID2987144,O=S(=O)(Cc1ccccc1Cl)N1CCCC1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3239020,O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID1095170,CCOc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID7206276,Cc1cccc(NC(=O)CSc2ccc(-c3ccc4c(c3)OCO4)nn2)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID842067,COC(=O)c1cc(-c2ccc(C)o2)nc2ccccc12
+,,,,0.0,,,,,,,,,,,,0.0,CID2985365,FC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1
+,,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID3245168,CCCCNC(=O)CC1N=C2c3ccccc3N=C(SCC(=O)Nc3ccc(OC)cc3)N2C1=O
+,,,,,,,,,,,,,,0.0,,,CID755255,COC(=O)c1cc(C(=O)N2CCOCC2)cc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID738566,COc1cccc(CNCc2ccc(SC)cc2)c1OC
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID663615,CC(=O)OCc1cc2cccc(C)c2[nH]c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID1473297,CSc1nnc(-c2cccn(Cc3ccccc3)c2=O)o1
+,,,,,0.0,,,,,,,,,,,,CID3376944,Cc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccco2)cc1C
+,,,,,,0.0,,,,,,,,,,,CID650850,COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,CID894506,Cn1c(-c2ccccc2)cnc1SCC(=O)NCc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID2163001,CC(C)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
+,,,,,0.0,,,,,,,,,,,,CID5770102,O=C1C=CC=C/C1=C1\N=C(SCC(=O)N2CCCc3ccccc32)NN1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307888,O=C(Cn1ncc2c1-c1ccccc1OC2)Nc1ccc(Cl)cn1
+0.0,,,0.0,,,,,0.0,,,,,,,0.0,,CID2946490,COc1ccc(OC)c(-c2[nH]nc3c2C(c2ccco2)C(C#N)=C(N)O3)c1
+,,,,,,,,,0.0,,,0.0,,,,,CID3239051,COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccco3)c3ccccc3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1316483,CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1
+,,,,0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,0.0,CID3238680,CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1
+,0.0,,,,,0.0,,,,,,0.0,,,,0.0,CID2865995,CN(c1ccc(C(=O)NCC2CCCO2)cc1)S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID919001,O=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2212310,CCc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1
+,,,,,,,,,,,,,,,,0.0,CID684261,S=C(c1ccc(Cl)cc1)N1CCOCC1
+,,0.0,,,,,,,,0.0,,,0.0,,,,CID2218973,O=C(CSc1nnc(Cc2cccs2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID660255,CCOCCn1c(SC)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,0.0,,,,0.0,,,,CID739952,NC(=O)C1CCN(CCC(=O)Nc2ccc3c(c2)CCC3)CC1
+,,,,,,,,,,,,,,0.0,,,CID2225215,O=C(Nc1nnc(C2CC2)s1)c1cc2c(s1)CCCCCC2
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID658865,CC1(C)Cc2c(c(N3CCOCC3)nc3snc(Br)c23)CO1
+,,,,,,,,,,0.0,,,,0.0,,,CID4254447,O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)c2cc3c(cc2o1)CCCC3
+,,,,,,,,,,,,,,,,0.0,CID2250430,CCCCc1cc(=O)oc2cc(OCC(=O)N(CC)CC)ccc12
+,,,,,,,,,,,,,0.0,,,,CID2105651,O=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl
+,,,,,,,,,0.0,,,,,,0.0,,CID646028,O=C(NC1CC2CCC(C1)N2Cc1nnnn1Cc1ccco1)NC12CC3CC(CC(C3)C1)C2
+,,,,,0.0,,,,,,,,,,,,CID5347877,CCOc1ccc(/C=N/N2CCN(c3ccccc3OC)CC2)cc1OC
+,,,,,,,,,,,1.0,,,,,,CID1212122,COc1cccc(/N=c2\oc3ccc(OC)cc3cc2-c2nc3ccccc3[nH]2)c1
+0.0,,,,,,,0.0,,,,,,,,,,CID5308282,O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(Cc2ccccc2)CC1
+,,,,0.0,0.0,,,,0.0,,,,,,,,CID648006,Cc1cc(NS(=O)(=O)c2cccs2)no1
+,,,,,0.0,,,,,,,,,,,,CID4609329,O=C1N(Cc2ccccc2F)c2ccccc2C12OCCCO2
+,,,,,,,,,,,0.0,,0.0,,,,CID824940,Cc1cc(OC(=O)c2ccc(Cl)cc2)cc(=O)n1C
+,,,0.0,,,,,,,,,0.0,,,,,CID659320,CCOC(=O)C1CCCN(CC(=O)Nc2c(C(=O)OC)[nH]c3ccc(Cl)cc23)C1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID891662,Cc1c(Cl)cccc1NC(=O)CN1CCN(CCO)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID695234,Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1
+,,,,,,,,,,,0.0,,,,,,CID1588033,CCCCSc1n[nH]c2nc(=O)cc(N)n12
+,,,,,,,,,0.0,,,,,0.0,,,CID764033,CCN1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1
+,,,0.0,,,,,0.0,,,,,,,,,CID661679,Cc1ccc(S(=O)(=O)NC(=O)Nc2ncc3c(n2)CC(c2ccco2)CC3=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1366204,COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nc3ccccc3n2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID752300,NC(=O)C1CCN(C(=O)CSc2ncccn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4100836,O=C(c1ccccc1[N+](=O)[O-])N1CCCN(C(=O)c2ccccc2[N+](=O)[O-])CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID2209095,COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1Cl
+,,,,,,,0.0,,,,0.0,,,,,,CID5309348,Cc1ccccc1NC(=O)CN(C)S(=O)(=O)c1cccc2cccnc12
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID651830,O=C(CN(Cc1ccc2c(c1)OCO2)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2768718,COc1ccc(/C=N/NC(=O)/C(=C\Nc2nccc(C)n2)NC(=O)c2ccccc2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID648085,CC(C)n1c(C(=O)OCC(=O)NCc2ccc3c(c2)OCO3)cc2occc21
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID644474,Cc1cnc(C(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)cn1
+,,,,,,,,,,,,,0.0,,,,CID1230240,O=C(O)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1
+,,,,,,,,,,,,,0.0,,,,CID1073736,COc1ccc(Br)cc1S(=O)(=O)NCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9550701,CCOC(=O)N1CCN(c2c(NCCCN(CC)CC)c(=O)c2=O)CC1
+,,,,0.0,,,0.0,,,0.0,0.0,,,,,,CID674305,COc1ccc(O)c(-c2cn[nH]c2-c2cccs2)c1
+,,,,,,,,,,,0.0,,,,,,CID4351721,CSc1nnc(-c2cc3c(s2)-c2ccccc2CC3)o1
+,,,,,,,,,,,,,0.0,,,,CID1314327,Cc1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cccc1C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1362789,O=C(Oc1nn(-c2ccccc2)cc1C(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1472697,COC(=O)CSc1nc(-c2ccc(C)cc2)c2c(c1C#N)CCCC2
+0.0,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID661499,N#Cc1nc(COc2ccccc2)oc1N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2963091,CCC(CC)C(=O)Nc1cccc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID74480,NC(=O)C1(N2CCCCC2)CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2382201,CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc(OC)cc3OC)nc2c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1471064,Cc1cc(C)c(S(=O)(=O)c2ccccc2C)c(N(C)C)n1
+,,,,,,,,0.0,,,,,,,,,CID966828,Cc1cc(N(CC(=O)O)S(C)(=O)=O)ccc1Br
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID2832740,CNC(=O)NC1CCCc2ccccc21
+,,0.0,,,,0.0,,0.0,,,0.0,,,,0.0,,CID1091852,Cn1c(=O)n(C)c2cc(C(N)=O)ccc21
+,,0.0,,,,,0.0,0.0,,,0.0,,,,,,CID868855,Cc1occc1C(=O)Nc1cc(=O)n(C)c(=O)n1C
+,,,,,,,,0.0,,,,,,,,,CID1471725,COC(=O)c1cc(C#N)c(NCc2ccccc2)nc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2344671,CCN(Cc1ccccc1)C(=O)COC(=O)c1cnc(C)cn1
+0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,,CID2977042,CC(C)CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID756294,COc1ccc(-n2nc3c(c2NC(=O)C2CC2)CS(=O)C3)cc1
+0.0,,,,0.0,,,0.0,,0.0,,0.0,,,,,,CID3240597,Cc1csc2nc(CNC(=O)c3cccc(C(F)(F)F)c3)cn12
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID3241388,Cc1ccc(-n2ncc3c(Nc4c(C)n(C)n(-c5ccccc5)c4=O)ncnc32)c(C)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID3245155,Cc1nc2ncnn2c(C)c1CCC(=O)NCc1ccco1
+,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,CID2055808,Cn1nc(OCCOc2ccccc2)ccc1=O
+,,,,,,,,,,,,,0.0,,,,CID9550546,CC(=O)c1cccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID935619,CCOc1cc(S(=O)(=O)N2CCCCC2)ccc1F
+,,,,,,,,,,,,,0.0,,,,CID2560700,O=C(CSc1cc(Cl)ccc1Cl)NCC(=O)Nc1ccc(F)c(F)c1F
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID661311,N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCN(Cc2ccccc2)CC1
+0.0,,,,,,0.0,,,,,,,,,,,CID608542,COc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,,,,,CID696551,CCOc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1
+,,,,,,,0.0,0.0,,,,,,,,,CID4998563,Cc1cc2oc3c(c(=O)c2cc1C)C(c1ccc(F)cc1)N(CCCN1CCOCC1)C3=O
+,,,,,,,,,,,,,0.0,,,,CID5078522,CC(C)CCOc1ccc(C(CC(N)=O)C(=O)O)cc1
+0.0,,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID3242895,COc1ccc(CN2C(=O)CCC2(C)C(=O)NC2CCCCC2)c(OC)c1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,,,CID892054,O=C(COc1cccc2ccccc12)N1CCN(c2ccccn2)CC1
+0.0,,,,,,,,,,,,0.0,,,,,CID5308484,COc1cc(CCC(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc(OC)c1OC
+,,,0.0,,,0.0,,0.0,,,0.0,,,,,0.0,CID786095,CCOc1ccc2cc(S(=O)(=O)n3ccnc3C)ccc2c1
+,,,,,,0.0,,,,,,,0.0,,,,CID3238299,CCOCCCNS(=O)(=O)c1ccc2c(c1)CCN2C(C)=O
+,,,0.0,,,,0.0,,,0.0,,0.0,,0.0,,,CID2221501,CCCOc1ccccc1C1C(C(=O)OC)=CN(C(C)C)C=C1C(=O)OC
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID1503259,Cc1cc(C)n2nc(SCC(=O)N(C)Cc3ccccc3)nc2n1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1878742,O=C1C(c2ccccc2)=C(N2CC2)c2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID647712,CCCC1(C(=O)OC)NC(c2ccc(OC)c(OC)c2)C2C(=O)N(c3ccc4c(c3)OCO4)C(=O)C21
+,,,,,0.0,,,,,,,,,,,,CID846102,CC(=O)c1ccc(-n2c(C)ccc2-c2ccccc2)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID3240637,COc1ccc(S(=O)(=O)N2CCCCC2C(=O)O)cc1OC
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID1562597,CCCCSc1nc(=O)cc(CCC)[nH]1
+,,,,,,0.0,,,,,,,,,,,CID270006,Clc1ccc(-n2cnnn2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2999513,CS(=O)(=O)c1ccc(C(=O)NC2CCOC2=O)cc1
+,,,0.0,,,,,,,,,,,,,,CID750774,COC(=O)Nc1ccc(NC(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550241,CN(Cc1ccccc1)C(=O)Cn1cccc1C(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID790437,O=C(NNC(=O)c1cccs1)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID1117979,O=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1
+0.0,0.0,,,,,0.0,,,,,,0.0,,,0.0,0.0,CID2955407,C=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
+,,,,,,,,,,0.0,,,,,,,CID407084,COc1ccccc1/C=N/N=C(\N)N[N+](=O)[O-]
+0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,0.0,,CID2550156,CC(=O)N1CCN(c2ccc(Oc3ncnc4sccc34)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1600703,CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccncc3)ccc21
+,,,,,,,0.0,,,,,,,,,,CID5389109,Cc1ccc2c(c1)=C1CCC3=CNNC3=C1N=2
+,,,,,,,,,,,,,0.0,,,,CID1036854,CCN(CC)S(=O)(=O)c1cc(C(=O)Oc2cccc(-c3cnc4ccccc4n3)c2)ccc1Br
+,,,,,,,,,,,,,0.0,,,,CID1387484,COc1ccc(OCc2nnc(NC(=O)Nc3ccc(F)cc3)s2)cc1
+,,,,,,,,0.0,,,,,,,,,CID644960,COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,,0.0,,,,,0.0,,,,,,,,CID2037235,Cc1cc(NC(=O)CCS(=O)(=O)c2nc(-c3ccccc3)cc(C(F)(F)F)n2)no1
+,,,,,,0.0,,,,,,,,,0.0,,CID729606,Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID662567,CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1
+,,,,0.0,,,,,,,,0.0,,0.0,,,CID648873,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc2nsnc12
+0.0,,,,,,,,,0.0,,,,,,,,CID650373,CCC(=O)Nc1cc(NC(=O)CSc2ncc(-c3ccc(F)cc3)n2Cc2ccco2)ccc1C
+,,,,,,,,,,,0.0,,,,,,CID2763621,N#CCC(=N)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,,,,,0.0,,,,0.0,0.0,CID2351267,CCCc1cc(=O)nc(SCC(=O)N(CC)Cc2ccccc2)[nH]1
+,0.0,,,,,,,,,,0.0,,,,,,CID2970088,CCc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,CID3000180,Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID3239407,COc1ccc(-n2c(C)nc3cc(C(=O)N4CCOCC4)ccc32)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID664695,CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCN2CCOCC2)c1=N
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,0.0,,,CID658596,O=c1c2[nH]c3ccccc3c2ncn1Cc1cccnc1
+,,,,,,0.0,,,,,,,,,0.0,,CID657952,COC(=O)CSc1nc(=O)c(Oc2ccccc2)c(C)[nH]1
+0.0,,0.0,,,0.0,,,,,,,,,,0.0,0.0,CID1019608,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+0.0,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID664403,CCC(C)C(NC(=O)NCc1ccc(Cl)cc1)C(=O)OC
+,,,,,,,,,,,,,0.0,,,,CID938079,Cc1cc(/C=C2\C(=O)NC(=S)N(C)C2=O)c(C)n1C1CCCCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID3241222,Cc1ccccc1CN1CCN(CC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)C1=O
+,,,,,,,,,,0.0,,,,,,,CID834056,Fc1ccc(CNn2cnnc2SCc2ccc(F)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2559010,COc1cc(Cl)c(C)cc1NC(=O)C1CCCN1C(=O)c1cccs1
+,,,,0.0,,,,,,0.0,,,0.0,,,,CID961910,CSc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID663539,Cc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID2998284,COCC(C)n1c(SCC(=O)N2CCCCC2)nc2ccccc2c1=O
+,,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID93864,CCOC(=O)Nc1ccc2c(C)cc(=O)oc2c1
+,,,,,0.0,,,,,,,,,,,,CID1072776,O=C(NCCC1=CCCCC1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3245690,Cc1nc2ccc3nc(NC(=O)c4ccc5c(c4)OCCO5)sc3c2s1
+,,,,,0.0,,,,,,,,,,,,CID2888427,CC(Oc1ccc2ccc(=O)oc2c1)C(=O)c1ccccc1
+,,,,,0.0,,,,,0.0,,0.0,,,,0.0,CID646266,COc1ccc(-c2nnc(SCC(=O)NC(C)C)n2CC2CCCO2)cc1OC
+0.0,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,,CID2936244,CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCCC(C)C2)c1O
+0.0,,,,,,,0.0,,,,,,,,,,CID5309207,Cn1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc2c(=O)n(C)c3ccccc3c21
+,,,,,,,,,,,,,0.0,,,,CID726097,S=c1[nH]nc(Cn2cnc3ccccc32)n1-c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID3244765,CC1c2nc3ccccc3n2C(CC(=O)NCc2ccccn2)C(=O)N1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID15944948,CC(Sc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)C(=O)NC(N)=O
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID648803,Cc1nc2cc(-c3cccc(F)c3)nn2c(N2CCOCC2)c1C
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID2793589,COc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)O)cc1OC
+0.0,,,,,,,,0.0,,,,0.0,,,,,CID803002,COc1ccc(-c2noc(Cc3ccccc3OC)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID974048,O=C(Nc1n[nH]c(C2CCCCC2)n1)C1CCCCC1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID660758,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCN(c3cccc(Cl)c3)CC1)n2CCCc1ccccc1
+,0.0,,0.0,,0.0,,0.0,,,,,0.0,,,0.0,,CID2999535,CC(=O)c1ccc(NC(=O)C(C)Sc2nnnn2C)cc1
+,,,,,,,,,,,,0.0,,,,,CID654413,CCOC(=O)C1Cc2cc3c(cc2C1=O)CC(C(=O)OCC)C3=O
+,,,,,,,,,,,,,,0.0,,,CID3167528,Cc1ccc(OCC(=O)NNC(=O)CSc2ncnc3sc(C)c(C)c23)cc1
+,,,,,,,,,,,,,0.0,,,,CID2765180,O=S(Cc1ccccc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,,0.0,,CID5309948,COc1ccc(C2C(C(=O)Nc3cccnc3)=C(C)N=C3N=C(c4ccco4)NN32)cc1
+,,,,,,,,,0.0,,,,,,,,CID2320116,CCN(CC)C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID2320560,Cc1cc(C)n2nc3ccccc3c2n1
+,,,,,,,,,,,,,,0.0,,,CID1491058,Brc1ccc(COn2ccnc2)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID3237997,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)COc3ccccc3)cc12
+,,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID1246444,COc1cc(OC)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID760590,O=[N+]([O-])c1ccc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)cc1
+,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,,CID973405,CC1(C)NC(=O)N(CCOc2ccc3c(c2)CCC3)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2544755,COC(=O)c1c(SCC(=O)Nc2ccc(C)cc2)nc(=O)[nH]c1C
+,,,,,,,,,,,,,,0.0,,,CID2237758,CCOc1cc2c(cc1/C=C(/C#N)c1ccc(C(=O)O)cc1)OCO2
+0.0,0.0,,0.0,,,,,,,,,0.0,,0.0,,,CID976467,N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccncc1
+,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,,CID2999965,CSCCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID1477665,Cc1ccc(SCC(=O)c2sc(-c3ccccc3)nc2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID3213331,O=C(c1ccccc1)N(Cc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,0.0,,,,,,,,,CID2212606,CCn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1cc(C)c(C)cc1Br
+,,,,,0.0,,,,,,,,,,,,CID1111994,CC1(C)Cc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C(C)(C)N1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550158,CCN(Cc1ccccc1)C(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID848866,S=C(c1ccccc1)N1CCCc2ccccc21
+0.0,,,,,,0.0,,,,,,,,,,,CID5309132,CCOC(=O)C(C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2384745,O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,0.0,,0.0,,,0.0,,0.0,,,CID660045,COc1ccccc1NC=C1C(=O)OC2(CCCCC2)OC1=O
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID660115,CCOC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3ccccc3OCC)C2C1
+,,,,,0.0,,,,,,,,,,,,CID2864824,CCOc1ccc(NC(=S)NC(=O)c2cccs2)c([N+](=O)[O-])c1
+,,,,,0.0,,,,,,0.0,,,,,,CID779036,O=C(CSc1nc2ccc([N+](=O)[O-])cc2[nH]1)NC1CCCCC1
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID755947,O=C(O)c1ccc2[nH]c3c(c2c1)CSCC3
+,,,,,,,,,,,0.0,,,,,,CID1579523,O=C(NCCc1ccccc1)c1ccc(OCCOc2ccccc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID2825094,COc1cc2c(cc1OC)C(c1cc(OC)c(OC)c(OC)c1)NCC2
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID389549,COc1ccc(C2=C(N)c3ccccc3C2=O)cc1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID3243733,CCOC(=O)N1CCN(c2cc(=O)n(-c3ccc(OC)cc3)c(=O)[nH]2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3789052,O=C(CSc1ccccc1)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1
+0.0,,,,,0.0,,0.0,,,,,,,,0.0,,CID3237858,COc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1OC
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID1253477,CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3ccc4c(c3)n(C)c(=O)n4C)cc2c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1475403,O=c1cc(CSc2ccc(Cl)cc2)[nH]c(-c2ccccc2)n1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID3241433,COC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID880764,Cc1cc(Br)cc(C)c1NC(=O)c1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID5820766,O=C(/C=C/c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,0.0,,,,,,CID1969477,Cc1cc(C)n(-c2nc3ccccc3nc2N2CCCC2)n1
+0.0,,,0.0,,,,,,0.0,0.0,,,,,,,CID925441,Cc1ccc(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID1737291,Cc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccn2)c2cc(C)cc(C)c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3193806,COC(=O)c1c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)sc2c1CCCC2
+,,,0.0,,,,,,,,,,,,,0.0,CID661611,COc1ccc(-c2cc3nc4n(c(=O)c3s2)CCOC4)cc1
+,,,0.0,0.0,,0.0,,0.0,,,,,,,,,CID720880,OCCn1c(SC2CCCCC2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID4917699,COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCCC4c4cccnc4)c3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1973683,C=CCn1cc(/C=N/NC(=O)COc2cccc3cccnc23)c2ccccc21
+,,0.0,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID649342,CCOc1ccc(OCC)c(NC(=O)CSc2nnc(-c3cccnc3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID2374298,Cn1c(N)c(C(=O)c2ccc(C#N)cc2)c(=O)n(C)c1=O
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,CID629376,CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2
+,,,,,,,,,,,,,0.0,,,,CID2484172,CCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID261400,O=c1cc(-c2ccccc2F)oc2ccccc12
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID2998621,COc1ccccc1CNC(=O)CN(C)CC(=O)Nc1cccc(F)c1
+,,,,,,,,,,,,,0.0,,,,CID2055975,Cc1cc(N)n2nc(-c3ccccc3)cc2n1
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID314929,COc1cccc(CCC(=O)O)c1OC
+,,0.0,,,,,,,,,,,,,,,CID656156,CC1CN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2F)CC(C)O1
+,0.0,,,,,,,,,,0.0,,,0.0,,0.0,CID98319,CC1(C(=O)O)CCC(C(=O)Nc2ccccc2)C1(C)C
+,,,,,,,,,0.0,,,,0.0,,,,CID2307845,Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2560156,CCOC(=O)c1cc(C#N)c(SCc2cccc3ccccc23)nc1C
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3240948,Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCOCC3)c(O)n2n1
+,,,,,,,,,,,,,,0.0,,,CID887140,Cc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)s1
+,0.0,0.0,0.0,,,,,0.0,,,0.0,0.0,,,,,CID647635,NC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3)n2CC2CCCO2)sc2c1CCC2
+,,0.0,,,,,0.0,,,,,,,,,,CID5310816,COCC(C)N/C=C1\C(=O)Nc2ccccc21
+,,,,,,0.0,,,,,,,,,,,CID2175986,COc1ccc(OC)c(NC2=NC3(CCCCC3)N=C(N)N2)c1
+,0.0,0.0,,0.0,,,,,,,,,,0.0,,,CID646830,N#Cc1cccc(-n2nnnc2-c2ccccn2)c1
+,,,,0.0,,0.0,,,,,,,,,,,CID2298222,CC(C)c1ccccc1OCCNS(C)(=O)=O
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID654829,COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2471296,COc1ccc(Nc2nc(Cl)c(C=O)s2)cc1
+0.0,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID2858965,CC(C)n1c(C(O)c2ccc3c(c2)OCO3)nc2ccccc21
+,,,,,,0.0,,,0.0,,,,,0.0,,,CID651568,COc1ccc2oc(=O)c(C(=O)N3CCCc4ccccc43)cc2c1
+,,,,,,,,,0.0,,,,,,,,CID784312,COc1ccc(CNc2ccc3c(c2)CCC3)cc1OC
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID648727,O=C(CN(C(=O)C1CSC(=O)C1)c1ccccc1F)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,0.0,,,,,CID2166775,O=C(O)CCCC(=O)NCCCCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1215863,COc1cc2ccccc2cc1C(=O)Nc1ccc(Cc2ccncc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2766063,Cc1cccc(C(=O)O/N=C2\CCSc3ccc(C)cc32)c1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID3236819,Cc1nc(CNS(=O)(=O)c2cccc(F)c2)cs1
+0.0,,0.0,0.0,0.0,0.0,,,,,,,,,,,,CID3237312,Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1
+,,0.0,0.0,,0.0,,,,,,,0.0,,,,,CID2999274,CC1Cc2ccccc2N1C(=O)COc1cccc(-n2cnnn2)c1
+,,,,,,0.0,,,,,,,0.0,,0.0,0.0,CID3239190,CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCC(C)CC3
+,,,,,,,,,,,0.0,,,,,,CID2883384,O=C(NCCNc1ccc([N+](=O)[O-])cc1)c1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID16191618,CCCN(CC1CC1)C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1
+,,,,,,,,,,,,,,0.0,,,CID2282513,CCN(CC)C(=S)SCCC(=O)NC(=O)Oc1ccccc1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID2943598,CCOC(=O)COc1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,,CID3237762,O=C(CCn1cccc1)NC1CCCc2ccccc21
+,0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,,,0.0,0.0,CID662169,Nc1n[nH]c2c1C1(CCCCC1)Cc1ccccc1-2
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,CID646250,O=C(NC1CCCC1)C(c1cccs1)N(Cc1ccco1)C(=O)c1csnn1
+,,,,,,,,,,,0.0,,,,0.0,,CID658831,O=C(Nc1ccccc1)OCc1ccccn1
+,,,,,,,,0.0,,,,,,,,,CID1090425,CCN1CCN(C(=O)COc2ccc(S(=O)(=O)NC(C)C)cc2)CC1
+,0.0,0.0,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,CID797834,Cn1c(SCc2ccc(C#N)cc2Cl)nc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID5771730,CCOc1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2CCCN(C)C)cc1OC
+,,,,,,0.0,,,,,,,,,,,CID5307541,CCOC(=O)c1oc2cc(O)c(CC)cc2c(=O)c1-c1ccc2c(c1)OCCO2
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID2568788,Cc1ccc(-c2nc(COC(=O)c3c(C)noc3C)cs2)cc1
+,,0.0,,,,,,0.0,,0.0,,,,,,0.0,CID3240293,COC(=O)c1cn(NC(=O)CC2CCCCC2)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,0.0,,,CID3105096,COCCNC(=O)C(=O)N/N=C/c1ccc(C(=O)OC)cc1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID2834575,Cc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccccc2)cc1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID2982180,CC12CCC(C(=O)NCCCn3ccnc3)(OC1=O)C2(C)C
+,,,,,,,,,0.0,,,,,,,,CID2276013,O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cc2ccccc2o1
+,,,,,,,0.0,,,,,,,,,,CID2287748,CCCCOCCCNC(=O)c1ccc(NC(C)=O)cc1
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID665318,CC1=Nn2c(nc(-c3ccccc3)c2-c2ccccc2)N(CC(N)=O)C(=O)C1
+,,,,,0.0,,,,,0.0,,,,,,,CID1988485,CC(=O)Nc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)cc1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID666254,Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2CCc2ccccc2)n(C)c1=O
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID2999225,COC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID823643,O=C(CSc1ncc(-c2ccccc2)[nH]1)Nc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID1184753,CCOC(=O)c1ccc(NC(=O)Nc2nc(-c3ccccc3)cs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5346253,Cc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3206178,O=C(NCc1ccco1)C(c1ccco1)N(Cc1cccs1)C(=O)Cn1nnc2ccccc21
+,0.0,,,0.0,,,0.0,,,,,,,,,,CID3238336,Cc1ccc(-n2nnc3c(SCC(=O)NCc4ccco4)ncnc32)cc1
+,,,,,,,,0.0,,,,,,,,,CID4077795,CCN(CC)C(=O)c1ccc2c(=O)n(CCOC)c(=S)[nH]c2c1
+,,,,,,,0.0,,,,,,,,,0.0,CID1526370,Cc1cc(C)n(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
+0.0,,0.0,,,,,,0.0,,,,0.0,,,,,CID659930,Clc1ccc(Cl)c(-c2ccc(/C=N/c3ncn[nH]3)o2)c1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID658590,CC(C)(C)/N=C1\SCC(C)(/C=N/O)S1
+,,,,,,,,,,,0.0,,,,,,CID2767877,COC(=O)c1ccc(NC(=O)c2ccc(C)cc2)o1
+,,,,,0.0,,,,,0.0,,,,,,,CID3700772,CC(C)/N=C(\NC#N)SCc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID661758,CS(=O)(=O)CCC(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,0.0,0.0,0.0,,,CID2281855,COc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1OC
+,,,0.0,,,,0.0,,,,,,,,,,CID5310397,Oc1c(C(c2ccc(F)cc2)N2CCc3ccccc3C2)sc2ncnn12
+,,,,,,,,,,,,,0.0,,,,CID2891495,O=C(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID655015,Cc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2218361,CC(C)(C(=O)c1ccccc1)/[N+]([O-])=C/c1ccc(Br)cc1
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID2998973,CC(Sc1nnc(C2CCCCC2)n1N)C(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID1432659,CCOC(=O)CSc1ccc(-c2nc3cc(C)c(C)cc3[nH]2)cn1
+,,,,0.0,,,,,,,,,,0.0,,,CID649549,O=S1(=O)CCC(S(=O)(=O)N2CCCCCC2)C1
+,,,,,,,,,,0.0,,,,,,,CID1939777,COCCCN1C(=O)c2ccc(C(=O)Nc3cccc(OC)c3)cc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID2429254,NS(=O)(=O)c1ccc(NC(=O)COC(=O)COc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID674884,CC(=O)Nc1ccccc1NC(=O)c1ccccc1
+0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,CID644651,Cn1c(=O)c2c(nc(NCc3ccccc3)n2CCCc2ccccc2)n(C)c1=O
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID1301012,CN1CCN(C(=O)COc2ccc3ccccc3c2Br)CC1
+,,,,,,,,,,,0.0,,,,,,CID341552,CCOC(=O)c1sc(=S)n(C)c1C
+,,,,,,,,,,,0.0,,,,,,CID4562751,CCOC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C
+,,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID650718,C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)cc3)cc2)C1
+,,,,,,,,,,,0.0,,,,,,CID880093,Cc1nc2ccc(Br)cn2c(=O)c1Cl
+,,0.0,,,,,0.0,,,,,,,,,,CID5768894,COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccc(C)o1
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+,,,0.0,,,,,,,,,,,,,,CID2941982,COC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2
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+,0.0,,,,0.0,,,,,,,,0.0,,,0.0,CID3243432,CCCCCn1c(SCC#N)nc2cc(C(=O)NCC3CCCO3)ccc2c1=O
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+,0.0,,,,,,,,0.0,,,0.0,,,,,CID3236728,O=C(NCc1ccccn1)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
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+,0.0,,,,,,,,,,,,,,,0.0,CID661762,c1ccc(CN2CCN(c3nc(-c4ccccn4)nc4ccccc34)CC2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID2230995,Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccc(C)cc3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID879782,N#C/C(=C\c1ccc(N2CCOCC2)o1)C(=O)Nc1ccc(O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID378227,COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID2430492,CCOC(=O)Nc1ccc2c(CN3C(=O)NC(CC)(CC)C3=O)cc(=O)oc2c1
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+,0.0,,0.0,,,,0.0,,,,,,,,,,CID647910,CCC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2
+0.0,,,,0.0,,,0.0,0.0,,,,,,,,,CID2959157,Cc1cccc(N2C(=O)CC(N(C(=O)c3ccco3)c3cccc(C)c3)C2=O)c1
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+,,,,,,,,0.0,0.0,,,,0.0,,,,CID2441703,O=C(CSc1n[nH]c(-c2cccs2)n1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,0.0,,,,,,,CID652930,Cc1ccccc1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1
+,,,1.0,,,,,,,,,,,,,,CID726602,CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2
+,,,,,,,,,0.0,0.0,,,,,,,CID2913552,CC(C)CC(=O)Nc1ccc2c(c1)oc1ccccc12
+0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,0.0,,CID653955,CC1(C)Oc2ccc(C(=O)N3CCc4ccccc43)cc2N(CC(=O)N2CCCC2)C1=O
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+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2999838,CC(C(=O)Oc1ccc2c(c1)OCO2)N1C(=O)c2ccccc2C1=O
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+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID1083019,CC(C)NS(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID653034,O=C(CCCOc1ccccc1)Nc1nnc(C2CCCO2)s1
+,0.0,,,,,,,,,,,,,,0.0,,CID5307154,CCN(CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)c1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID662234,COc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCC(=O)N3C3OC(=O)c4ccccc43)CC2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2981348,Cc1nn(C(C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-]
+,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID3231413,Cn1c(C2CCCN2C(=O)OC(C)(C)C)n[nH]c1=S
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID661069,COC(=O)c1cc(Br)c(=O)n(-c2ccc(C(C)=O)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID872059,C/C(=N\NC(=O)c1ccc(Br)o1)c1ccncc1
+,,,,,,,0.0,,,,,,,,,,CID5308078,CCOC(=O)N1CCC(N2C(=O)c3ccc(C(=O)NC4CCCCCC4)cc3C2=O)CC1
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+,,,,0.0,,,,,,,,,,,,,CID2287490,Cc1c(NC(=O)OCCSc2nc(N(C)C)nc(N(C)C)n2)sc(=S)n1C
+,,,,0.0,,,,,,,,,,,,,CID3236242,COc1ccc(OC)c(C2SCCN2S(=O)(=O)c2cccc(C(F)(F)F)c2)c1
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+,,,,,,,,,,,,,0.0,,,,CID3205846,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1
+,,,,0.0,,,,0.0,0.0,,,0.0,,,,,CID2204979,CCOC(=O)c1c(NC(=O)CSc2n[nH]c(-c3ccco3)n2)sc(C)c1C
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+,,0.0,,0.0,,,,,0.0,,0.0,,,,,,CID2591142,C=CCn1c(SCn2nnc3ccccc3c2=O)nc2scc(-c3cccs3)c2c1=O
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+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID869579,Cc1nnc2ccc(N3CCCC3)nn12
+,,,,,,,,,,,,,0.0,,,,CID2317183,COc1ccc(NC(=O)CCCC(=O)O)cc1Cl
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+0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,CID806905,Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1C
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID3244414,CCOCCCNC(=O)C1CCC(=O)N1CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4309781,CCCCN1C(=O)CCC(C(=O)O)C1c1ccccc1
+0.0,,,,,,0.0,,,,,,,,0.0,0.0,0.0,CID1357308,O=C(COc1ccc(Br)cc1)N1CCN(C2CCCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID11958426,CCCC(C)NNC(=O)c1cc2ccccc2[nH]1
+,,,0.0,0.0,,,,,,,,,,,,,CID684679,CSc1nsc(SC)c1NC(=O)Nc1ccccn1
+0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,,,CID666496,COc1cc(-c2nnc3sc(Cc4ccccc4)nn23)cc(OC)c1OC
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+,,,,,,,,,,0.0,,,,,,,CID752444,COc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)cc1
+0.0,,,0.0,,0.0,,,,,,0.0,,,,,,CID1366061,Cn1c(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)nc2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID1379339,Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1[N+](=O)[O-]
+0.0,0.0,,,,,,,,,,,,,,,,CID3236232,CCCN(CCC)C(=O)Cn1c(=O)n(CCCCC(=O)NC2CCCC2)c(=O)c2ccccc21
+,,,0.0,,,,,,,,,,,,,,CID658328,N#Cc1c(N)n(CCSc2ccccc2)c2nc3ccccc3nc12
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID876159,CCC(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID5711569,CC1=C(C(=O)Nc2ccccc2)C(c2ccco2)N2NC=NC2=N1
+,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID660638,O=C(Nc1ccc(Cl)cn1)C1CCCN1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3223980,Cc1ccc2nc(C3CCCN(C(=S)Nc4cccc(C)c4C)C3)[nH]c2c1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,CID2998935,Cc1ccc2nc(SCc3nnc(-c4cccs4)o3)[nH]c2c1
+,,,,,,,,,,0.0,,,,,,,CID3231013,CC(c1ccccc1F)n1cc(C(=O)NCCCn2ccnc2)nn1
+,,,,,,,,,,,,,0.0,,,,CID11979308,COc1ccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)/C2=C/NCc2ccccc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID3244767,CCOc1ccc(S(=O)(=O)NCC2CCCO2)c2cccnc12
+,,,0.0,,,,,,,,,,,,,,CID5308302,Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3c2c1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID667182,N#CC(c1nc2ccccc2nc1N1CCCC1)S(=O)(=O)c1cccs1
+,,,,,,,,,,,,,,,0.0,,CID2836838,CCCCCCNC(=O)C(C(=O)OCC)C1CCCCC1
+,,,,,,,,,,,0.0,,,,,,CID3198498,CC(C)CCNC(=O)C(c1cccnc1)N(CCc1ccccc1)C(=O)Cn1nnc2ccccc21
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID2565318,Nn1c(Cc2ccccc2F)nnc1SCn1nnc2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID1454577,Cc1nc2cc(N3CCCCC3)c(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID893341,CCCn1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID3617290,CCOC(=O)Cn1nc(C)n(-c2ccc(C(C)C)cc2)c1=O
+,,,,,,,0.0,,,,,,,,,,CID5739958,C/C(=C\C(=O)c1ccc(C)o1)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID11958865,CCCCN(CCCC)C(=S)NN/C=C1\C(=O)N(c2ccccc2)N=C1C
+,,,,,,,0.0,,,,,,,,,,CID647125,CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,0.0,,,,,,,,,,,,CID2223570,O=C(Nc1ccccc1F)c1ccccc1[N+](=O)[O-]
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID752743,CSc1ccn(CCC(=O)O)c(=O)n1
+,0.0,,,,,,,,,,,,,,,0.0,CID5309243,CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID2932695,O=C(CC(Nc1ccc(F)cc1)C(=O)O)c1ccccc1
+,0.0,,,,,,,,,,,,,0.0,,,CID2371956,COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/n2cnnc2)cc1OC
+,,0.0,,,0.0,,0.0,,,,,,0.0,,,,CID2834348,Nc1ccc(C23CC4CC(CC(O)(C4)C2)C3)cc1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID5770359,CCOC(=O)C(C)SC1=NN/C(=C2/C=CC=CC2=O)N1Cc1ccccc1
+0.0,,,0.0,,,,,,,0.0,,,,,,,CID3235640,CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID659399,CC(=O)/N=c1\cccc2n(O)c(C)c(C)[n+]([O-])c1-2
+,,,0.0,,0.0,,,,,0.0,,0.0,,,,,CID5394360,Cc1oc2cc(O)cc(O)c2c(=O)c1-c1ccc2c(c1)OCCCO2
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID2971232,CCOc1ccccc1C(=O)NC(C)c1ccc2c(c1)OCO2
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,CID2138904,CCCC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1
+0.0,,,,0.0,,,,,,,,,,,,,CID3585809,Cc1[nH]c2ccccc2c1Cc1nnc(SCC(=O)NCc2ccco2)o1
+,,,,0.0,0.0,,,,,0.0,,0.0,,,,0.0,CID848732,Clc1ccccc1-c1nnc2sc(-c3ccncc3)nn12
+,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID2609053,CC(=O)N1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
+,,,,,0.0,,,,,,,,,,0.0,,CID3244302,CCOC(=O)CNC(=O)Cn1c(C)cc2ccccc2c1=O
+,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,,CID663601,c1nc(N2CCNCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCC4
+,,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,CID118982,O=C1CCCCCN1Sc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2942164,O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1Sc1ccccn1
+0.0,,,0.0,,,,0.0,,,0.0,,,,,,0.0,CID2973815,CN1CCN(c2ccccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1
+,,,,0.0,,,,,,,,,,,,,CID3245203,O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CS(=O)(=O)C2)c1ccc2c(c1)OCO2
+,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID3236736,CCC1(C)Nc2ccccc2C(=O)N1O
+,,,,,,,,,,,0.0,,,0.0,,,CID3792953,COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID1453965,CCCC(=O)N(CCc1ccc(OC)cc1)Cc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,,0.0,,,,,,,,CID3158621,CC(=O)Nc1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1
+,,,0.0,,,,,,,,,,0.0,,,,CID1259343,COc1cc(S(=O)(=O)Nc2ccccc2C)ccc1Cl
+,,,,,,,,,,,,,0.0,0.0,,,CID1082741,COc1ccc(-c2csc3nc(-c4ccccc4)oc(=O)c23)cc1OC
+,0.0,0.0,0.0,0.0,0.0,,,,0.0,,,,,,0.0,0.0,CID2532080,Cn1c(=O)c(C(=O)CSc2nncs2)c(N)n(Cc2ccccc2)c1=O
+,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,0.0,CID2877970,COc1cc2c(cc1NCc1ccccn1)oc1ccccc12
+0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0,,CID3238519,CCOC(=O)N1CCN(C(=O)CSc2nnc(Cc3cccn3C)n2CCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3750713,Cc1ccc(Sc2ncccc2COC(=O)Nc2ccccc2C)cc1
+,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID3243986,CCCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID5389663,C=CCN1C(=O)NC(=O)/C(=C(/C)NCc2cc(OC)cc(OC)c2)C1=O
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+,,,,,,,,,,,,,,0.0,,,CID5153374,Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)nc12
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+,,,,,,,,0.0,,,,0.0,0.0,,,,CID776233,CC(=O)c1cc(C)ccc1OC(=O)c1ccco1
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+0.0,,,,0.0,,0.0,,0.0,0.0,,,,,,,,CID650755,COc1ccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCCC2)cc1OC
+,0.0,,,,,,0.0,,,,,0.0,0.0,,,,CID654344,CC(=O)NC(Cc1ccccc1)C(=O)NC1CCN(C(=O)c2cnccn2)CC1
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+,0.0,0.0,,,,,,,,,,,,,,,CID648703,COC(=O)CC1=C(C(=O)OC)C2(C(=O)N(C)c3ccccc32)C(C#N)=C(N)O1
+,,,,,,,,,,,,,,0.0,,,CID4880253,CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc3ccccc3c2)c1
+,,,,,,,,,,,,,,0.0,,,CID919307,C=CCn1c(SC)nc2sc3c(c2c1=O)CCc1ccccc1-3
+,,,,,,0.0,,,,,,,,,,,CID3243868,CN(C)/C=N/c1c(C#N)nnn1Cc1ccccc1
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID3238267,CC(C)Oc1ccc(C(CC(=O)O)NC(=O)C2CCCCC2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID5769581,CSc1ccc(C2N=c3ccccc3=C3C=C(C)NN32)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID29508,COc1ccc(OC(=O)Nc2ccccc2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID2650157,CC(=O)NCCNC(=O)C(Cc1ccccc1)NC(=O)c1cccs1
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID650882,Nc1ccc(-n2nnnc2-c2ccco2)cc1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID650111,CCOC(=O)c1c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)sc(C)c1C
+,,0.0,,,,0.0,0.0,,,,,,,,,0.0,CID5307710,CCN1CCN(C(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID3596763,Cc1cccc(NC(=O)c2ccccc2Br)n1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID743852,CCCC(=O)Nc1nc2ccc(OC)cc2s1
+,,,,,,,0.0,,,,,0.0,,,,,CID5665479,O=C1/C(=C\Nn2cnnc2)c2ccccc2C(=O)N1c1ccccc1F
+,,,0.0,,,,0.0,,,,,,,,,,CID2911693,COCCNC(=O)CN(c1ccccc1OC)S(C)(=O)=O
+,,,,,,0.0,,,,,,,,,,,CID5390068,CCOC(=O)C1=C(C)N=C2N=C(SCC(=O)OC)NN2C1c1cc(F)cc(F)c1
+,,,,,,,,,,,0.0,,,,,,CID3314370,CCOC(=O)c1nc(C)n(-c2ccc(Cl)cc2Cl)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID993511,Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2CCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1040554,O=S(=O)(c1ccccc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21
+,,,,,0.0,,,,,,,,,,,,CID1344487,Cc1ccccc1-n1c(=O)c2c(n3cnnc13)-c1ccccc1CC21CCCCC1
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,,,CID667138,COc1ccc(C2=NOC(Cn3c(=O)cc(C)c4ccccc43)C2)cc1
+,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID657769,O=[n+]1cc(-c2ccccc2)n([O-])c2c1CCC2
+,,,,,,,,,,0.0,,,,,,,CID4549290,CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID5308624,COC(=O)c1ccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)N=C3N=CNN32)cc1
+,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID2967903,Cc1cccc(-c2noc(CN(C(=O)C34CC5CC(CC(C5)C3)C4)C(C)C)n2)c1
+,,,,,,0.0,,,,,,,,,,,CID661802,CCCCOc1nccc2c1n(C)c(=O)n2C
+,,0.0,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,CID2915609,O=C(CCCOc1ccccc1)NCC1CCCO1
+,,,,,,,,,,0.0,,,,,,0.0,CID2528669,Cc1nnc(SCc2nnc(-c3ccccc3Br)o2)n1-c1ccccc1
+,,,,0.0,0.0,,,0.0,,,,,,,,,CID3241875,COc1cccc(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID665828,CCOC(=O)CNS(=O)(=O)c1ccc(C(=O)O)cc1
+,,,,,,,,,,0.0,,,,,,,CID9550383,CCOC(=O)c1cnn(-c2ccc(Cl)cc2)c1C1CCN(C(=O)OC(C)(C)C)CC1
+,,,,,,,0.0,0.0,0.0,,,,,,,0.0,CID2887398,COc1ccc(NC(=O)C2C3CCC(C3)C2C(=O)O)cc1OC
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID3243614,CC1CC(=O)Nc2ccccc2S1(=O)=O
+,,,,,,,,,0.0,,0.0,,,,,0.0,CID2399399,CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccccc2OC(F)F)c1
+0.0,,,0.0,,,,,,,,,0.0,,0.0,,,CID720122,Cc1ccc(-c2ccc(OCC(=O)N3CCOCC3)cc2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID2193992,C=CCSc1nnc(-c2ccncc2)n1-c1ccc(OCC)cc1
+,0.0,,0.0,,,,0.0,,,,0.0,,,,,,CID760500,Cc1ccc(/C=N/n2c(C)nnc2C)cc1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID2342919,O=C(Nc1nncs1)c1ccccc1NS(=O)(=O)c1cccs1
+,,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID3243224,O=C(NC1CCCCC1)c1ccc2c(=O)n(CC3CCCO3)c(=O)[nH]c2c1
+,0.0,,,,,,,,0.0,,,,,0.0,,0.0,CID2978804,CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID2879647,O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1O
+,,,,,,,,0.0,,,,,,,,,CID3243289,CCOC(=O)c1c(C)c(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C
+,,,,,,,,,,,,,,0.0,,,CID16188643,CCN1CC(CN(C)Cc2nc(Cc3ccccc3)no2)CC1=O
+,0.0,,,,,,,,,,,0.0,,,,,CID977239,CSc1nc(NC(C)(C)C)nc(N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2765780,CN1c2ccsc2/C(=N/Nc2ccccc2)CS1(=O)=O
+,,,,,,,,0.0,,0.0,,,,,,,CID3154429,Cc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1
+,,,,,,,,,,,,,,0.0,,,CID746678,CCOc1ccccc1Nc1nc(-c2sc(C)nc2C)cs1
+,,,,,0.0,,,,,,,,0.0,,,,CID1084316,O=C(OCc1ccccn1)c1ccc(COc2ccccc2Cl)o1
+,,,,,,,,0.0,,,,,,0.0,,,CID890650,COc1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,0.0,,,,,,,,,,CID5389515,O=C1OC(N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID3253561,Cn1c2ccccc2c2cc(C3Nc4ccccc4C(=O)N3Cc3ccco3)ccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID659779,CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,CID665354,CCN(CC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1
+,,,,,,,,,,,,0.0,,,0.0,,CID5771737,Cc1c(/C(O)=C2/C(=O)C(=O)N(Cc3cccnc3)C2c2cccs2)cnn1-c1ccccc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3239738,Cc1ccc(C(=O)Nc2c3c(nn2C(C)(C)C)CS(=O)(=O)C3)cc1C
+,,,,,,,0.0,,,,,,,,,0.0,CID659442,O=C1C2C3C=CC(C3)C2C(=O)N1O
+,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID663783,COC(=O)C(NC(=O)NCc1ccco1)C(C)C
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID1034973,Cc1cc(C)nc(SCC(=O)Nc2ccc(Br)cn2)n1
+,0.0,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,CID3240368,CCN(CC)C(=O)N1CCN(C(=O)c2ccc(C)cn2)CC1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,0.0,,0.0,,CID2090693,NS(=O)(=O)c1ccc(CCNC(=O)c2cncc(Br)c2)cc1
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID666971,CSc1nsc(SCC(=O)Nc2ccccn2)n1
+,,,,,,,,,0.0,,,0.0,,,,,CID3240411,C=CCNC(=O)C1CC(c2cccc(OC)c2)=NO1
+0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID658222,C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccoc1
+,,0.0,,,,,,,,,,,,,,,CID327593,O=C(O)C1CSC(c2cccnc2)N1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID5389369,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(F)cc2)C1c1cccnc1
+,,,,,,0.0,,0.0,,,0.0,,,,,0.0,CID664181,CCOC(=O)N1CCN(Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1
+,,,,,0.0,,,,,,,,,,,,CID5767481,CCO/C(O)=C1/C(=O)C2=C(CCCC2)N(Cc2ccco2)C1=O
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID713356,N#Cc1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)c(F)c1
+,,,,,,,,,,,,,,0.0,,,CID3818325,CN1OC(COC(=O)c2ccc(Cl)cc2)CC1c1ccccc1
+0.0,,,,,,,0.0,,0.0,,,,,,0.0,,CID656288,CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1
+,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,,CID667392,COCCNc1cc(C)nc2c3c(C)cc(C)nc3nn12
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID1293728,CC(C)COC(=O)c1cc(-c2ccc(/C=N/n3cnnc3)o2)ccc1Cl
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID651775,Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)Cc2ccc3c(c2)OCO3)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID3231862,Cc1sc(NC(=O)CN2CCOCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2211619,Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1481614,CCOC(=O)c1cnc(SC)nc1Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID1796343,CCCNS(=O)(=O)c1ccc(CCC(=O)NCc2ccco2)cc1
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+,0.0,,,,0.0,,,,,,0.0,,,,,0.0,CID2998870,Cc1cc(=O)oc2cc(OCC(O)CN3CCc4ccccc4C3)ccc12
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+,0.0,,,,,,,,,,,,,,0.0,,CID656383,COc1ccc2c(c1)cc(C)c1nnc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)n12
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+,,,,,,,,,,,,,,0.0,,,CID2499497,COc1cc(NC(=O)COC(=O)/C=C/c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc(OC)c1
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+,,,,,0.0,,,,,,,,,0.0,,,CID3236090,COc1ccc(CCNC(=O)CCn2c(SCC#N)nc3ccccc3c2=O)cc1OC
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+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID1148640,COc1ccc(OC)c(N(CC(=O)Nc2cccnc2)S(=O)(=O)c2ccccc2)c1
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+,0.0,,,,,,,,,,,,,,0.0,,CID5389942,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccncc2)C1c1ccccc1
+0.0,,,0.0,,,0.0,,,,,,0.0,,0.0,,,CID1454652,CC(C)NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
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+0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,CID2971348,CN(C(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2
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+,,,,,,,,,,,,,,0.0,,,CID6047289,CCON/C(C)=C1/C(=O)C=C(c2ccccc2)N(c2ccccc2)C1=O
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+,,0.0,,,,0.0,,,0.0,,,,0.0,,,,CID2850759,O=C(NCC1CCCO1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID655649,O=C(O)CC1NC(=O)N(c2ccc(Cl)cc2)C1=O
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+,,,,,,,,,,,0.0,0.0,,,,,CID1972010,COC(=O)c1ccc2c(=O)n(NC(C)=O)c(=S)[nH]c2c1
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID2608676,COc1ccc(C)cc1-n1nnnc1SCC(=O)Nc1cc(C)on1
+,,,,,,,,0.0,,,,,,,,,CID855249,CCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+0.0,,,,,,,,,,,,,,,,,CID5308319,Cc1ccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2C)cc1
+0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,,0.0,CID2977885,O=C(c1ccccc1CCc1ccccc1)N1CCN(c2ccccn2)CC1
+,,,,0.0,,,,,0.0,,0.0,0.0,,,,,CID2527188,CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sccc2C(N)=O)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID850471,Cc1cccc(NC(=O)c2onc3c2CCCC3)c1C
+,,,,,0.0,,,,,,,,,,,,CID786080,COc1ccc(OC)c(S(=O)(=O)NCc2ccccn2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID914336,CC1(C)Cc2c(ccc3ccccc23)C(NNC(=O)c2cccnc2)=N1
+,,,,,,,,,,,,,0.0,,,,CID1472580,O=c1nc(SCc2ccccc2)[nH]c2c1sc1ccccc12
+,,,,,0.0,,,,,,,,,,,,CID946241,CCOc1ccc(Nc2oc(-c3ccc(Cl)cc3)nc2C#N)cc1
+,,,,,,,,,,,,,,0.0,,,CID3516898,COc1ccccc1Nc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]
+,,,,0.0,0.0,,,,,,,,,,,,CID2999572,CSc1ncccc1C(=O)OCC(=O)N(CC(C)C)C1CCS(=O)(=O)C1
+,,,,,0.0,,0.0,0.0,,,,,,,0.0,,CID618368,Cc1cc(=O)oc2c1ccc1oc(C(C)O)c(C)c12
+,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,CID656012,Cn1c(SCC(N)=O)nnc1C1CCN(C(=O)NCc2ccccc2)CC1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID2445782,Cc1cnc(NC(=O)CCCc2nc3ccccc3s2)s1
+1.0,,,,,,0.0,,,,,,,,,,,CID5770847,O=C(CSC1=NN/C(=C2/C=Nc3ccccc32)O1)N(Cc1ccccc1)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID757830,COc1ccc(CN(C)c2ncnc(N)n2)cc1
+,,,,,,,0.0,,,0.0,0.0,,,,,,CID2850171,COC1CCCCC1Nc1cc(C)ccc1C
+,0.0,,,0.0,,,,,,,0.0,0.0,,,,,CID3236392,CC(C)OC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1
+,,,0.0,,,,,,,,,,,,0.0,,CID2957770,O=C1CCCC2=C1C1(CCCCC1)N=C(Nc1nc3ccccc3s1)N2
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID653556,CCn1c(SCc2cccnc2)nc2c1c(=O)n(C)c(=O)n2C
+,,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,0.0,,,CID2998531,O=C(c1ccco1)N1CCN(CC(O)COc2ccc3oc4ccccc4c3c2)CC1
+0.0,,,0.0,,0.0,,,,,,,,,,,0.0,CID666239,CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2O
+,,,,,,,,,,,0.0,,,,,,CID2241247,CC1(C)CC(=O)c2c(nc(SCC(=O)Nc3nsc(-c4ccccc4)n3)c(C#N)c2-c2ccccc2)C1
+0.0,,,,,,,,0.0,,,,0.0,,,0.0,0.0,CID1007908,O=C(COc1ccc(S(=O)(=O)NCc2ccccc2)cc1Cl)N1CCOCC1
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID651622,COc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc(C)cc2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID843984,CCc1ccccc1NC(=S)NCc1ccc2c(c1)OCO2
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID255202,c1ccn2c(Cc3nnc4ccccn34)nnc2c1
+,,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0,CID665226,COCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccc(OC)cc1
+,0.0,,,0.0,,,,,,,0.0,,0.0,,0.0,0.0,CID2772611,Cc1cc(=O)nc(SCCOc2ccc(OC(C)C)cc2)[nH]1
+,,,0.0,,0.0,,,,,0.0,,,,,,0.0,CID2155601,CCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)o1
+,,,,,0.0,,,,,,,,0.0,,,,CID1072709,CCOC(=O)Cc1csc(NC(=S)NC(=O)c2ccccc2C)n1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID662663,Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID2475635,O=C(NCc1ccccc1)c1ccccc1OCC(=O)N1CCCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID9587468,Cc1cccc(/C(N)=N/OC(=O)N2CCOCC2)c1
+,,,,,0.0,,,,,,,0.0,,,,,CID663174,CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCOCC1
+,,,,0.0,,,0.0,,,,,,,,,,CID1281355,O=C(c1ccco1)N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
+,0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,CID972984,O=C(NCc1ccccc1)c1cnsn1
+,0.0,,,,,,,,0.0,,,0.0,,,,0.0,CID651337,COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID9549093,CC12CCC(C(=O)N(CSC(=S)N/N=C/c3ccccc3Cl)C1=O)C2(C)C
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID3361722,COc1ccc2nc(NC(=O)c3ccc4ncsc4c3)sc2c1
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+,,0.0,,,,,,,0.0,,,,,,,,CID2945676,N#CCCCN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCCO3)c2ccccc21
+,,,,,,,0.0,,,0.0,,,,,,,CID2960340,COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3)CC2)cc1
+,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,,CID3239620,CCOC(=O)c1ccc(NC(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc1
+,,,,,0.0,,,,,,,,,,,,CID766972,CC(=O)Nc1c(C)nn(-c2ccc(C)c(C)c2)c1C
+0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,CID832348,CCn1c(SCC(=O)NCc2ccco2)nnc1-c1cccs1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID651381,COC(=O)CSc1nnc(-c2ccc(NS(=O)(=O)c3ccccc3)cc2)o1
+,,,,,0.0,,,,,,,,,,,,CID2887586,Cc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID1949028,CC(C)OC(=O)c1c(N)n(CCCN2CCOCC2)c2nc3ccccc3nc12
+,,,0.0,,,,,0.0,,,,,,,0.0,,CID3243624,COc1cccc(CC(=O)NCC2COc3ccccc3O2)c1OC
+,0.0,,,,,,,,,,0.0,0.0,,0.0,,,CID2836123,O=C(NC(Nc1ncccn1)C(=O)c1ccccc1)c1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID2150999,COc1ccc(OC)c2c1s/c(=N\C(=O)CN1C(=O)CCC1=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID1379458,O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID3771946,CC(=O)c1cnc(Nc2cccc(Cl)c2Cl)s1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,CID2999522,CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC
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+,,,,,,,,,,,0.0,,,,,,CID791359,C/C=C/C(=O)Nc1ccccc1Br
+,,,,,0.0,,,,,,,,,,,,CID223596,CCOC(=O)COc1c(C)cccc1C
+,,,,,,0.0,,0.0,,0.0,,0.0,,,0.0,,CID653283,Cn1c(SCC(=O)c2ccccc2F)nnc1C1CC1
+,,,,,,,,,,,,,0.0,,,,CID12004801,Cc1cccc(CCNC(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID647200,CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(OC)c1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID663553,CCCCn1c(C)nc2c(=O)n(C)c(=O)[nH]c21
+,,,,,,,,,,,,,,0.0,,,CID834064,O=C(O)c1ccc(NCc2cccc(Br)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID748042,Cc1ccc(-n2c(Cc3cccs3)n[nH]c2=S)c(C)c1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID973585,Cc1ccc(O)c(NC(=O)CCCC(=O)O)c1
+,,,,,,,,,0.0,,,,,,,,CID697958,CN(C)S(=O)(=O)c1c(Cl)cccc1Cl
+,,,,,,,,0.0,,,,,,,,,CID3170106,COc1ccccc1-n1c(C)nnc1SCC(=O)NCc1ccccc1
+,,,,,,,,,,,0.0,,0.0,,,,CID897980,COc1cc(S(=O)(=O)Nc2ccccc2)ccc1NC=O
+0.0,,,,,0.0,,,,0.0,,,,,,0.0,,CID5308386,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID872858,C/C(Cn1nnc([N+](=O)[O-])n1)=N\NC(=O)c1ccccc1Cl
+,0.0,,,,,,,,,,,0.0,,,,,CID663796,C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1cccc(OC)c1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID654470,COCc1[nH]nc2c1C(c1c(F)cccc1Cl)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,,,,,,,CID2878808,CC1(C)CC(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)N1
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID3236753,COc1ccc(-n2nnc3c(SCC(=O)N4CCN(c5ccccc5)CC4)ncnc32)cc1
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+0.0,0.0,,,,,,,,,,,,,0.0,,,CID865186,O=C(CSc1nnc(-c2cccs2)o1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID664600,CC(C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID2892672,Cc1cc(Nc2ccccc2[N+](=O)[O-])nc2ccccc12
+0.0,,,,0.0,,,,,,,,,,,,,CID2936694,O=S(=O)(c1cccs1)N1CCN(c2ccccn2)CC1
+0.0,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,CID2124942,O=C(Cn1[nH]c(=O)c2ccccc2c1=O)Nc1ccc2c(c1)CCC2
+,,,,,0.0,,,,,,,,,,,,CID4113801,O=C(Cc1ccc(-n2c(=O)[nH]c3ccccc3c2=O)cc1)N1CCN(c2cccc(Cl)c2)CC1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID2153082,CCCSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1
+0.0,,,,,,,,,,,,,,,,,CID4972232,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2Cl)CC1
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+,,,,,0.0,,,,,,,,,,,,CID2827236,Cc1ccc(C(C2=C(O)CC(C)(C)CC2=O)C2C(=O)CC(C)(C)CC2=O)o1
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+0.0,,,,,,,,,,,,,,,,,CID1116232,Cn1c(=O)c2c(ncn2CC(=O)Nc2ccc(Cl)cc2Cl)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1476586,C#CCn1c(S(=O)(=O)Cc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID661194,Cc1ccc(-n2ncc3c(N4CCC(C(N)=O)CC4)ncnc32)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID2790153,O=C(CCc1ccccc1)Nc1ccccc1[N+](=O)[O-]
+,,,0.0,,,,,,,,,0.0,,,,,CID5309993,CCOC(=O)CSC1=NN/C(=C2\C=Nc3ccccc32)N1CC
+,,,,,,,,,,,,,,0.0,,,CID1526850,Cc1c(NC(=O)/C(C#N)=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,0.0,,,,CID2488438,O=C(COC(=O)C1=COCCO1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1486911,O=C(Nc1cccc(Cl)c1)c1csc(-c2ccccc2)n1
+0.0,,,0.0,0.0,0.0,,,,,,,,,,,,CID3244496,Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)N3CCc4ccccc43)cc2s1
+,,0.0,,,,,0.0,,,,,,,,,,CID3244068,CCOC(=O)C1=C(C)N=C2SC(CC)C(=O)N2C1c1cccc(F)c1
+,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,,CID5308165,Cn1c(=O)c2c(nc(SCC(=O)Nc3ccccc3)n2C)n(C)c1=O
+,,,,,,,,,,,,,,0.0,0.0,,CID650217,CSc1nnc(-c2ccc(F)cc2)o1
+,,,,,,,,,,0.0,,,,,,,CID1521319,Fc1ccccc1COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID4559225,COc1ccc(C(C[N+](=O)[O-])c2c(-c3ccccc3)cc3ccccn23)cc1OC
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3236082,COc1ccc(N2CCN(CCNC(=O)C3CC(=O)N(C4CCCC4)C3)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID3237081,COC(=O)c1nnn(CC(=O)Nc2ccc(C)c(F)c2)c1C(=O)OC
+,,,,,,,,,,,,,0.0,,,,CID11957289,Cc1ccc(CNC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
+,,,,,,,,,,,,,,0.0,,,CID752739,CCCC12CN3CC(C)(CN(C1)C3c1ccc(OC)cc1)C2=O
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,,CID1094091,O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,0.0,,,,,,,,,,,,,,,CID5389494,COc1ccc(C2CC(c3ccc(C)cc3)N=C3N=C(N)NN32)cc1
+,,0.0,,,,,,0.0,,,,0.0,0.0,,,,CID2158939,COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)o2)c1
+,,,,,,,,0.0,,,,,,,,,CID2287166,O=C(CCCOc1ccccc1)N1CCCc2ccccc21
+,,,,0.0,,0.0,,,,,,,,,,,CID654060,O=C(COC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1)c1ccccc1
+,0.0,,,,,,,,,,0.0,,,,,,CID2123583,C1CCN=C(Nc2nn[nH]n2)CC1
+,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID3239782,CCOc1ccc(NC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID3242586,COC(=O)c1ccc(Cn2cnc3c(cnn3-c3ccc(C)c(C)c3)c2=O)o1
+,,,,,,,,0.0,,,,,,0.0,,,CID2840252,CN1C(=O)CC(N2CCN(c3ccccn3)CC2)C1=O
+,,,0.0,,,,,,,,,,,,,,CID5329,Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1
+,0.0,,0.0,,,,0.0,,,0.0,,,0.0,0.0,,,CID1547171,COc1ccc(-c2nnnn2C)cc1S(=O)(=O)NCc1ccccc1
+,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,0.0,,CID2999084,O=C(NC1CCCCCCC1)C1=COCCO1
+,,,,,,,,,,,0.0,,,,0.0,0.0,CID2997057,Cc1c(C(=O)N2CCOCC2)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID3242695,CCOc1ccccc1NC(=O)CCC(=O)Nc1ccc2nc(N3CCN(C)CC3)cc(C)c2c1
+,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID2232362,Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID746206,Cc1nonc1NC(=O)CN1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID850582,Cc1cccc(C)c1NC(=O)c1sc(Cl)nc1C
+,,,0.0,0.0,,,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,CID2121635,CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)no2)cc1
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID2998422,C=C(C)c1cccc(C(C)(C)NC(=O)NCCCn2ccnc2)c1
+,0.0,,,,,,,,,,,,,,,,CID5308288,CCOc1ccc(OCC)c(Nc2cc(C)nc3ncnn23)c1
+,,,,0.0,,,,,,,,,,,,,CID654805,O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1326584,COc1ccccc1/C=C/C(=O)Nc1cccc(C(C)=O)c1
+,,,0.0,,,,,,0.0,,,,,,,,CID661589,CC(C)OC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID688004,CC(C)(C)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID5771436,CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OCC)c(OC)c1
+,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,CID703108,O=C(c1ccccc1-c1ccccc1)N1CCN(c2ccccn2)CC1
+,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,,CID2972481,COCC(C)NC(=O)NC(=O)c1ccc(Cl)cc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID3237938,COc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,CID648119,Cc1ccc(OCc2ccc(C(=O)Nc3nccs3)o2)cc1
+,,,,,0.0,,0.0,0.0,,,,,,,,,CID3243292,CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NCCCOC)CC3)c(=O)c2cc1OCC
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID657827,Brc1ccc(-c2cnc3n2CCCC3)cc1
+,,,,0.0,,,,,,,,,,,,,CID3239580,CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)NCCCN2CCOCC2)C(C)C)cc1
+,,,,,,,,0.0,0.0,,,0.0,,,0.0,,CID664006,O=C(COc1ccccc1)N(Cc1ccco1)C1CCS(=O)(=O)C1
+,,,,,,,,,,0.0,,,,,,,CID1850707,COc1cccc(Nc2nc(N)nc(-c3oc4ccccc4c3C)n2)c1
+,0.0,,,,0.0,,,,,0.0,,0.0,,,,,CID649791,CCCn1nnnc1SCC(=O)NCc1ccccc1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID666296,Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(F)cccc2Cl)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID3245282,O=C(CCNS(=O)(=O)c1cccs1)N1CCCCCC1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID2999948,Cc1cc(-c2ccco2)n2c(nc3ccccc32)c1C#N
+,0.0,,,,,,,,0.0,,,,,,,,CID1219971,CCc1nnc(NC(=O)CN2CCOCC2)s1
+,,,,,,,,,,,,,,,0.0,,CID2962179,Cc1c(NC(=O)C2CC(c3c(F)cccc3Cl)=NO2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,0.0,,,,,CID649253,CCOC(=O)C1(Cc2ccccc2)NC(c2ccccc2F)C2C(=O)N(CC)C(=O)C21
+,,,,,,,,,,,,,0.0,,,,CID5235373,O=C(O)Cc1ccc(C(=O)c2ccc(F)cc2)s1
+,,,,,,,,,,,0.0,,,,,,CID5053921,Cc1cc(Cl)ccc1OC(C)C(=O)N1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2C)CC1
+,,,,,,,,,,,0.0,,,,,,CID3190231,O=C(NCC1CCCO1)C(c1cccs1)N(C(=O)Cn1nnc(-c2cccs2)n1)C1CCCC1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3244886,CC(C)c1[nH]nc2c1C(c1cccc(OC(=O)N3CCOCC3)c1)C(C#N)=C(N)O2
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID3239240,CC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc3nonc23)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2915782,COc1ccc(S(=O)(=O)NC(C)CCc2ccccc2)cc1
+,,,0.0,,,,,,0.0,0.0,0.0,,,,,,CID652461,O=c1ccc(Oc2nc(N3CCCCC3)nc(N3CCCCC3)n2)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2043339,COc1ccc(S(=O)(=O)NCCSc2ccc(Cl)cc2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID711014,CCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1485160,CC(=O)c1sc(Nc2cccc(C)c2)nc1C
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,0.0,0.0,,,,0.0,CID2221235,CS(=O)(=O)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Cl)cc23)CC1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID654904,CCCn1c(SCC(=O)Nc2ccccc2C(=O)OC)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID3221254,Cc1cccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID3243333,COCCNC(=O)CCn1c(=O)oc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID718487,COc1ccc(/C=C/C(=O)N(C(C)C)C(C)C)cc1Br
+,,,,,,,,,,,,,,0.0,,,CID672156,Cc1ncc([N+](=O)[O-])n1CC(=O)NC1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID4009574,O=C(COC(=O)CCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NC(=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID750135,COc1cc(NC=C2C(=O)c3ccccc3C2=O)cc(OC)c1
+,0.0,,,,,,,,,,,,,0.0,,0.0,CID5770444,COc1ccc2[nH]c3nc(SCc4nnc(-c5ccc(C)cc5)o4)nnc3c2c1
+,,0.0,,,,,,,,,,,,,,,CID666661,COc1cccc(N2CCCn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)c1
+,,,,,,,,,,,,0.0,,,,,CID5310280,CCOC(=O)C(C)n1cnc2c(nnn2-c2cccc(Cl)c2)c1=O
+,,,,,,,,,,,,,,0.0,,,CID1241061,C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2056015,Cc1cc(=O)nc(/N=C(\N)Nc2ccc3c(c2)OCCO3)[nH]1
+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID645685,CC(C)n1c(Sc2nccn2C)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID772276,O=C(c1ccccc1Cl)N1CCN(c2ccccn2)CC1
+,,0.0,,0.0,,0.0,,0.0,,,,,,,,,CID3243334,CCN(CCCNC(=O)c1c(C)cc(=O)oc1C)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID3241990,CC(C)OCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID652127,Cc1c(C(=O)O)c2cc(O)ccc2n1-c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID2164196,Cc1nnc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)s1
+,,,,,,0.0,,,0.0,,,,,,,,CID2967603,O=C(O)C1CCCCC1C(=O)Nc1ccc2c(c1)CCC2
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+,0.0,,,,,,,,,,,,,,,,CID657432,CC1(C)Cc2nc(N)c(C(=O)NCCO)cc2CO1
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+,,,,,,,,,,,,,0.0,,,,CID2329070,COc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID2238562,O=C(CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)OCc1ccc(Cl)cc1
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+,0.0,0.0,,,0.0,,,,,,,,,,,0.0,CID646100,C1=C(C(c2nnnn2C2CCCCC2)N2CCCCC2)COc2ccccc21
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+,,,,,0.0,,,,,,,,,,,,CID5389387,O=C1C(=O)N(CCCn2ccnc2)C(c2ccccn2)/C1=C(/O)c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID767861,Nc1cc2sc(-c3ccc(C(=O)O)cc3)nc2cc1Cl
+,0.0,0.0,,,,,,,,,,,,,,,CID661856,Cc1nc2c(c(=O)n1CC1CCCO1)c1nc3ccccc3nc1n2CC(C)C
+,,,,,,,,,,,0.0,,,,,,CID1350803,CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccccc1F
+,,0.0,,,,,,,,,,,,,,,CID649042,COc1ccc(-c2cc(C(=O)O)[nH]n2)cc1OC
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+,,,,,0.0,,,,,,,,,,,,CID2286130,COc1cc(C=C2C(=O)NC(=O)NC2=O)ccc1OCCOc1ccc(C)cc1
+,0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID660644,O=C(Nn1cnnc1)C(c1ccccc1)c1ccccc1
+,0.0,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID977152,O=C(Cn1c(=S)nc2ccccn21)N1CCc2ccccc2C1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID2879269,COc1cccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)c1
+,,,,,,0.0,,,,,0.0,,,,,,CID667024,Cc1[nH]c(N2CCN(Cc3ccccc3)CC2)nc(=O)c1C
+0.0,,,,,0.0,,,,,,,,,,,,CID2082098,Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1
+,,,,,0.0,,,,,,,,,,,,CID2767968,C/C(=N\OC(=O)c1cccc(C)c1)c1sc(-c2ccccc2)nc1C
+,,,0.0,0.0,,,,,,,0.0,0.0,,,,,CID815481,Cc1cc(=O)nc(Cc2ccc(OC(C)C)cc2)[nH]1
+0.0,,,0.0,,,,,,,0.0,,,,,0.0,0.0,CID970465,O=C(CN1CCN(c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID5080802,O=C(Nc1nnc(-c2cccs2)o1)c1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID2364451,COc1cccc(/C=C/C(=O)OCC(=O)NCc2ccco2)c1OC
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID842249,O=C(Cc1cccs1)NCc1ccco1
+,0.0,,0.0,,,,,0.0,,,,,0.0,,,,CID661242,O=C(O)CCCC(=O)Nc1ccn(-c2ccccc2)n1
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID321075,Cc1cc(C)n(-c2cc(N3CCOCC3)ncn2)n1
+,,,,,0.0,,,,,,,,,,,,CID1363543,O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1
+0.0,,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,CID666879,O=C(CCCc1nc(-c2ccc(Cl)cc2)no1)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID662137,CSc1nc2nc3c(c-2c2nc[nH]n12)CCCC3
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,0.0,,0.0,CID2210784,O=C(Nc1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+0.0,,,0.0,,,,,,,,,,,,,,CID2770929,Nc1ccc(S(=O)(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID1481758,Nc1c(C(=O)O)cnc2c(-c3ccc(Cl)cc3)cnn12
+,,,,,,,,,,,,0.0,,,,,CID653324,O=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2
+,,,,,0.0,,,,,,,,,,,,CID4390227,O=C(Nc1ccc(F)cc1)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID863546,O=C(O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID2526250,O=S(=O)(c1ccc(Oc2ccc(Br)cc2F)nc1)N1CCCCC1
+,,,,,,,0.0,,,,0.0,,,,,,CID604350,N#CC1=C(N)Oc2cc(O)ccc2C1c1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID661533,O=C(C1CC1(c1ccccc1)c1ccccc1)N1CCOCC1
+0.0,,,,,,,,,,,,,0.0,,,,CID3241564,Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12
+0.0,,,,,,,,,,,0.0,,,,0.0,,CID3245331,Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NC2CCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1107939,COc1ccc(C(=O)NNC(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID665116,CN(C)/C=N/c1ncc2c3ccccc3n(Cc3ccccc3)c2c1C#N
+,0.0,,,,,0.0,,,,,,,,,,,CID659504,CCCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CC(C)OC(C)C1
+,,,,,,,,,,,,,0.0,,,,CID1247370,CN1CCC(NC(=O)c2ccncc2)CC1
+,0.0,,,,,,0.0,,,,,,,,,,CID5308339,Cc1nc2ccccc2c2oc(C(=O)NCC3COc4ccccc4O3)cc12
+,,,0.0,,,,,,,,0.0,,,0.0,,,CID2219053,CCCCn1nnc(NC(=O)c2cc3ccccc3o2)n1
+,0.0,,,0.0,,0.0,,,,,,,,0.0,,0.0,CID647480,Cc1nn(-c2ccccc2)c(Cl)c1C1C(C#N)=C(N)OC2=C1C(=O)CCC2
+,,,,,,,,,,,,,0.0,,,,CID3122354,Cc1cccc(Nc2n[nH]c(C)c2[N+](=O)[O-])c1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID666784,Cc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CC(C)OC(C)C2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID1813141,CCN1C(=O)/C(=C/c2cccs2)S/C1=N/c1ccc(OC)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID5308058,Cc1ccc(Nc2cc(C)nc3ncnn23)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2110224,COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(N)=O)cc1
+0.0,,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID1152634,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID1078318,O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID788614,Cc1ccc(C(=O)CNc2ccc(Cl)cc2)cc1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID5309048,COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID648133,COc1ccccc1OCc1nnc(SCC(=O)N2CCCCC2)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID708276,Cc1oc2ccc(OC(=O)c3cccs3)cc2c1C(=O)OC(C)C
+,,,,,,0.0,,,,,,0.0,,,,,CID5309021,Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)N3CC(C)CC(C)C3)c(C)o2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID654662,Cc1ccc2occ(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)c2c1
+,,,,,,,,,,0.0,,,,,,,CID884731,CCC(CC)NC(=O)c1ccccc1Oc1ccccc1
+,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,CID3241074,COc1cccc(OCC(=O)NC2CCCCC2)c1
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID657660,Nc1ccccc1C(=O)OCCOc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1736100,O=[N+]([O-])c1ccc2nc(CN3CCCCC3)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID16193206,Cc1cc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)ccc1Br
+,,,,,,,,0.0,0.0,,,,,,,,CID2998150,COCCn1c(C)cc(C(=O)COC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1C
+,,,,,,,,,,,,,,0.0,,,CID825739,COc1ccc(C(=S)N2CCOCC2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1967638,CCOC(=O)Cn1c2ccccc2c2nc(C)sc21
+,,,,,0.0,,,,,,,,,,,,CID7314901,Cc1cccc(NC(=O)CCSc2nc(C)cc(C)n2)c1
+,0.0,,,,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID2426514,Cc1cc(=O)n2nc(-c3ccccc3)sc2c1C#N
+,,0.0,,,,,,,,,,,,,,,CID569723,CCOC(=O)C1C(=O)CC(O)(c2ccccc2)CC1c1ccccc1
+,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID649344,Cc1cc(C)c2cc(C(c3nnnn3C3CCCC3)N3CCOCC3)c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2828942,CC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(C)cc1
+,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,,CID644649,O=C(CN1C(=O)COc2ccccc21)c1cccc(Cl)c1
+,,,,,,,0.0,,0.0,0.0,,0.0,,,,,CID3236574,Cc1ccc(CN2C(=O)CCC2C(=O)NCCCN2CCOCC2)cc1
+,0.0,,,,,0.0,,,,,,,,,,,CID3245702,COCCCNC(=O)CCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2C)c1=O
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3540515,CC(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1
+0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,,CID655266,O=S(=O)(Nc1ccc(O)c(CN2CCCCC2)c1)c1ccccc1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID5308000,COC(=O)c1cc(Nc2cc(C)nc3ncnn23)cc(C(=O)OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2030686,O=C(CSc1nc(-c2ccc(F)cc2)cs1)Nc1ccccn1
+,,,,,,,0.0,,,0.0,,,,,,,CID1366110,O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1-c1ccccn1
+0.0,,,,,,,0.0,,,,,,,,,,CID650992,Cc1ccc(F)cc1NC(=O)C1CCCN(c2ncccn2)C1
+,,,,,,,,,,,,,0.0,,,,CID2129996,Cc1ccc(OCCCn2c(=O)oc3ccccc32)cc1
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID1093786,COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)cc3)on2)CC1
+,,,,,,,0.0,,,,,,,,0.0,,CID1247591,COC(=O)Nc1nnc(-c2ccncc2)s1
+,,,,,,,,,0.0,0.0,,,,,,,CID2186090,CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)c2cccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16189849,CCN1CC(CNCc2cn(-c3ccc(OC)cc3)nc2-c2ccccc2Cl)CC1=O
+,,,,,,,,,,,,0.0,,,,,CID685507,Cc1nn(CC(C)C)c(=S)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID750529,Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1C
+,,,,,,,,,,,,,,0.0,,,CID758072,O=C(O)CCCC(=O)NN1c2ccccc2CCc2ccccc21
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID806783,CN(C)C(=O)Oc1ccc(C(=O)c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1002629,Cc1nn(Cc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)o2)c(C)c1Br
+,,,,,,0.0,,,,,,,,,0.0,,CID3235903,CCOC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O
+,,,,,0.0,,,,,,0.0,,,,,,CID2475567,N#Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID2999545,O=C(COC(=O)CSCC(=O)N1CCCCC1)NCc1ccc(F)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID827929,COc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID644594,O=C(CCN1C(=O)C2(OCCO2)c2ccccc21)c1ccccc1
+,,,0.0,,,,,0.0,0.0,,,,,,,0.0,CID3241762,O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(C2CCCCCC2)C1
+,,,,,,,,,,,,,,0.0,,,CID753332,Cc1ccc(CNC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID2888976,COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc(C(=O)O)cc2)o1
+,,,,,,,,,0.0,,,,,,,,CID3153400,C=CCn1c(N)cc(=O)nc1SC(C)C(=O)Nc1cccc2ccccc12
+,,,0.0,,,,,,,,,,,,,0.0,CID3235955,CC(C)(NCc1ccccc1Cl)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID4878641,Cc1nnc(SC(C)C(=O)N2CCc3ccccc32)s1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID658868,N#Cc1c(/N=C/c2cccs2)sc2c1CCC2
+,,,,,,,0.0,,0.0,,,,,,,,CID5307795,CCN1CCN(C(=O)Cn2ncc3ccsc3c2=O)CC1
+,,,,,,,,,,,,,,,,0.0,CID833950,CC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1
+0.0,,,0.0,,,,,,0.0,,,,,,,,CID647688,Cn1c(-c2ccc(F)cc2)cnc1SCC(=O)Nc1ccccc1N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID2983201,CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID730167,Cc1occc1C(=O)NNC(=O)c1ccccc1Br
+,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID648033,O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccco2)n1)Nc1ccccc1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID613152,CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(F)c1
+,,,,,0.0,,,,,,,,,,,,CID1474992,O=C1CCCc2ccccc2N1Cc1ccccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID3708465,COc1ccc(C2c3sc(=O)[nH]c3SC3C4CCC(C4)C23)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID719632,CCS(=O)(=O)N1CCN(C(=O)CC(C)C)CC1
+,,,,,,,0.0,,,,0.0,,,,,,CID2329100,Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)O)cc12
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID723729,Nc1c(C(=O)NCCc2ccccc2)nnn1Cc1ccccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1479960,Cc1ccc(C(=O)ON=C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,,CID4416981,c1ccc(OCc2nnc3sc(C4COc5ccccc5O4)nn23)cc1
+,,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID5389993,COc1ccc(C2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2999207,CCOC(=O)Nc1sc2c(c1C#N)CCC(C)C2
+,,,0.0,,0.0,,,0.0,,0.0,,0.0,0.0,,,,CID661117,O=C(c1ccc2c(c1)OCO2)N1CCc2ccccc2C1
+,,,,,,,0.0,,,,,0.0,,,,,CID5389876,COC(=O)C(C)NC(=O)NCc1ccccc1F
+0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,0.0,CID655685,O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2326411,CCOC(=O)C1CCN(C(=O)/C=C/c2cccs2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID976771,O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,,CID663768,CCN(CC)CCCNc1oc(-c2cccc(Cl)c2)nc1C#N
+0.0,,,,,,,,,,,,,,,,,CID660305,CN1C(=O)CC(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)C1=O
+0.0,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,,,CID3235978,COc1ccccc1N1CCN(C(=O)c2nn(-c3ccccc3OC)c(=O)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID4549326,COc1c(F)c(F)c(C(=O)O)c(Nc2cc(C)cc(C)c2)c1F
+,,,,,,,,,0.0,,,,,,,,CID2978000,Cc1ccc(SC(C)C(=O)Nc2ccncc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID11957248,COc1ccc(-n2nc(C(=O)NCC(=O)NCc3ccc(F)cc3)c3ccccc3c2=O)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID5337565,Cc1ccc(/C=N/NC(=O)c2cccnc2)o1
+,,,0.0,,,,,,,,,,,,,,CID5307809,O=C(CN1CC(c2ccccc2)CC1=O)Nc1ccc(F)cc1
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2930234,CCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
+,,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID2165562,COc1ccc(S(=O)(=O)NCCCCNS(=O)(=O)c2ccc(OC)cc2)cc1
+,,,,,,,,,0.0,,,,0.0,,,0.0,CID2416174,CC(C)(C)NC(=O)COC(=O)Cc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1765538,CCn1cc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cn1
+,,0.0,,,,,,,,0.0,,,,,0.0,0.0,CID3236901,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NC2CCCCC2)CC1
+,,,,,,,,,,,0.0,,,,,,CID5915318,Cc1nc2ccccn2c1C(=O)/C=C/c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID1487986,Cn1ncn(-c2ccc(Cl)cc2)c1=S
+,,0.0,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,CID2216415,C/C=C/c1ccc(OCCSc2nc(=O)cc(C)[nH]2)c(OC)c1
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID705270,O=C(Oc1ccc2oc(=O)sc2c1)c1ccccc1F
+,0.0,,,,,,,,,,,0.0,,,,,CID648205,CN(C(=O)C1CCCO1)c1nnc(-c2ccncc2)s1
+,,,,,,,,,,,,,,0.0,,,CID2092417,CC(C)Cn1c(N)c(C(=O)COC(=O)c2cccnc2Cl)c(=O)n(C)c1=O
+,,,,,,,,0.0,,,,,,,,,CID1456414,CC1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1
+,,,,0.0,,,,,,,,,0.0,,,,CID2158843,CC1CCN(C(=O)CSCC(=O)Nc2nc(-c3cccs3)cs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5347333,Cc1ccc(NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc32)cc1
+,,,0.0,,,,,,,,,,,,,,CID3241923,CC(=O)Nc1nonc1NC(=O)CSc1ncn[nH]1
+,,,,,,,,,1.0,,,,,,,,CID1160447,O=C(Nc1ccc(-c2nc3ccc(NC(=O)c4cccs4)cc3[nH]2)cc1)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID4121748,COc1ccc(CNC(=O)Cc2csc(Nc3nc(=S)[nH]c4ccccc34)n2)cc1
+,,,0.0,,0.0,,,,,,0.0,,,,,,CID854933,C/C(=C\C#N)n1nc(C)cc1N
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID2998130,c1ccc(N2CCN(c3cnccn3)CC2)nc1
+,,,,,,,0.0,,,0.0,,,,,,,CID3245748,COC(=O)C1CCCN1C(=O)C1CCCN1C(=O)CNC(=O)OCc1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2868420,CN(C)/C=C1\C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2998969,CC1CCCC(C)N1C(=O)COC(=O)c1ccc[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID972315,CC(=O)c1ccc(NC(=S)N2CCC(O)CC2)cc1
+0.0,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID648399,Cc1ccc(CSc2nnc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)o2)cc1
+,,,,,,,,,,,,,,,,0.0,CID659496,CN(CC(O)COc1ccc(OCC(O)CN(C)C2CCCCC2)cc1)C1CCCCC1
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID1278151,O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1377647,Cc1ccc(OCC(=O)N/N=C/c2cn(C)c3ccccc23)c([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID2448558,CCCCn1c(N)c(N(CC)C(=O)c2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID666264,CC(O)C(NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
+,,,0.0,,0.0,,,,,,,,,,,,CID5308394,O=C(NCc1cccs1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,0.0,,,,,,,,,0.0,,CID2325023,Fc1ccc2nc3n(c2c1F)CCCCCC3
+,,,,,,,,,,,,,0.0,,,,CID860187,CCOC(=O)c1cn2ccc(C)cc2n1
+0.0,,,,0.0,0.0,,,,,,,,0.0,0.0,,,CID663270,COc1ccccc1-c1nn2c(-c3ccco3)nnc2s1
+0.0,,,,,,,,,,,,,,,,,CID665461,CC(C)Cn1c(=O)c2c(nc3n2CCCN3CCc2ccccc2)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID3782424,Cc1nc2cc(-c3sccc3-n3cccc3)nn2c(C)c1C
+,,,,,,0.0,0.0,,,,,,,,,,CID5309237,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc2ccccn2n1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID1244282,O=C(Nc1nn(Cc2ccccc2F)cc1Br)c1cccs1
+0.0,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0,,CID2155537,Cn1c(SCC(=O)N2CCCCC2)nc2c([nH]c3ccccc32)c1=O
+,,,,,,,,,,,,,,0.0,,,CID9550475,COC(=O)C(CCSC)NC(=O)Cn1ncc2c(=O)oc3ccccc3c21
+,,,,,,,,,0.0,,,,,,,0.0,CID1179153,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cc(N)ccc1OC(F)F
+,,,,,,,,0.0,,,,,,,,,CID584509,O=C(N1CCCCC1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,0.0,,,CID4168394,O=C1c2cccc(OCC(=O)N3N=C(c4cccs4)CC3c3ccc(F)cc3)c2CCN1Cc1cccnc1
+,,,,,,,,0.0,,,,,,,,,CID555517,O=C(O)C1CC(c2ccccc2)=NO1
+,,,,,,,,,,,,0.0,,,,,CID652657,CCN(Cc1ccccc1)C(c1cccc(C#N)c1)c1nnnn1C(C)(C)C
+,,,,,,,,,,0.0,,,,,,,CID5285253,CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2329324,COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1
+,,,,,,,,,,0.0,,,,,,,CID1101984,O=C(NCc1ccco1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br
+,,,,,0.0,,,,,,,,,,,,CID2920316,Cc1ccc(C(=O)COC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
+0.0,,0.0,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID658394,C(=N/c1nc2ccccc2n1CCN1CCOCC1)\c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID4002945,CC(=O)Nc1ccc(NC(=O)CC2Nc3cccc4cccc(c34)NC2=O)cc1
+0.0,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID1315619,O=C(Nc1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2093203,COc1ccc2nc(NC(=O)C3CCCN3C(=O)c3cccs3)sc2c1
+,0.0,,,,,,,,,,,,,,,0.0,CID3242847,c1c2c(cc3sc(N4CCOCC4)nc13)OCCO2
+,,,,,,,,,,,,,,,,0.0,CID647078,Cc1cccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)c1
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID665490,CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
+,0.0,,,0.0,,,,,,,,0.0,,0.0,,,CID2579270,COc1ccc(-c2nnc(SCC(=O)NC(=O)NCc3ccco3)o2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID989656,CC(C)(C)N(NC(=O)c1ccccc1)C(=O)c1cccc(C(=O)N(NC(=O)c2ccccc2)C(C)(C)C)c1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID5060477,Oc1c(C(c2ccco2)N2CCC(Cc3ccccc3)CC2)sc2ncnn12
+,,,,,,,,,,,,,0.0,,,,CID2443325,COc1ccc(C)cc1Nc1nc(-c2c[nH]c3ccccc23)cs1
+,,,,,,,,,,,0.0,,,,,,CID882838,COc1ccc(CNC(=S)Nc2cccc(C)c2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3239851,CCC(C(=O)N1CCc2ccccc2C1)n1nc(C)n2c(cc3occc32)c1=O
+,,,,0.0,,,0.0,,,,,0.0,,,,,CID3244327,CCCCNC(=O)c1cc(-c2ccc(OC)cc2)on1
+,,,,,,,,,,,,,,0.0,,,CID3211046,O=C(NCC(=O)N(CCN1CCOCC1)C(C(=O)NC1CCCC1)c1ccccc1)c1cccs1
+0.0,,0.0,,,,0.0,,0.0,,0.0,,,,,0.0,,CID804704,CCCc1cc(=O)nc(SCC(=O)OCc2ccccc2)[nH]1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID2202367,CC(=O)c1cccc(NC(=O)CN(C2CCCCC2)S(C)(=O)=O)c1
+,,,,,,,,,,,,,,,,0.0,CID3236193,O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID4343416,Cc1nc(SCC(=O)N2CCN(c3ccccc3)CC2)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,,,,,,,0.0,,,,,,CID2833371,CCCCCCCC(=O)NC(Oc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl
+,,,,,,,,0.0,,0.0,0.0,,0.0,0.0,,,CID1084440,CC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID4062157,Cc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(CCO)CC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID3213522,CC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID876686,COc1cc(C(=O)NCC(C)C)c([N+](=O)[O-])cc1OC
+,0.0,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID558609,COC(=O)n1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID1107366,CCC(=O)Nc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(O)cc2)C3=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID793195,Cc1ccc(-n2c(C)cc(C=C(C#N)C#N)c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID825709,CN1CCCN(C2C3CC4CC(C3)CC2C4)CC1
+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID3237977,Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0,CID665894,CN(C)c1ccc(C2=NOC(CN3C(=O)c4ccccc4S3(=O)=O)C2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID4141057,CN1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID2855639,CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID647462,COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(C)c1
+,0.0,0.0,,0.0,,,,,,,0.0,,,,,,CID2546768,Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C
+,,,,,,,,,,,,,,0.0,,,CID2621280,Cc1cc(C(=O)CSc2nnnn2-c2ccccc2)c(C)n1-c1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,,,,,,,CID649860,CC(C)(C)NC(=O)c1ccc(NC(=O)C2COc3ccccc3O2)cc1
+,,0.0,,,,,,,,,,,,,,,CID647538,COc1ccc(NC(=O)CN2CCC(n3c(C)nc4cc(F)ccc43)CC2)c(OC)c1
+,,0.0,,,,,,,,,,,,,0.0,,CID2948429,CCOc1ccc(C(=O)N(C)C2CCS(=O)(=O)C2)cc1
+,,,,,,,,,0.0,,,,,,,,CID5309747,CCn1cc(C(=O)N2CCOCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,,,,,,,,,0.0,,,CID2360937,Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2nccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5524036,COC(=O)c1cc(NC(=O)c2ccccc2)c(=O)oc1/C=C/Nc1ccc(Oc2ccccc2)cc1
+,,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID976855,Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N(C)C)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5736602,Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N2CCSCC2)cc1C
+,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID646336,CCOCCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2213879,C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OC
+0.0,,,,,,,,,,,,,,,,,CID3240655,COc1ccc(CCNC(=O)C2CCCN(Cc3nc(-c4ccccc4C)oc3C)C2)cc1OC
+,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,CID2353746,O=C(c1cc2c(s1)CCC2)N1C(=O)c2ccccc2S1(=O)=O
+,,,,,0.0,,,,,0.0,,,,,,,CID9551300,Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccc(F)c3)c3ccccc3)ccc2n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID2854198,Cc1ccc(C)c(NC(=O)CC(C)c2ccccc2)c1
+,,,,,,,,,,0.0,,,,,,,CID1092832,COc1cccc2cc(-c3nnc(SCC(=O)NCCc4ccccc4)n3C)oc12
+,0.0,,,,,,0.0,,,,,,,,,,CID2100863,c1ccc(Oc2cccc(NC3=NCCC3)c2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID3245583,Cc1n[nH]c(C)c1S(=O)(=O)N1CCOCC1
+,,,,,,,,0.0,,,,,,,,0.0,CID2958791,O=C(Nc1ccccc1C(F)(F)F)C1CC(=O)N(c2ccccc2F)C1
+,,,,,0.0,,,,,,,,,,,,CID855935,Cc1ccc(-c2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3241487,Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID868604,COc1cccc(CNC=C2C(=O)CC(C)(C)CC2=O)c1OC
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID5309334,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC(C(=O)O)CC1
+,,,,,,,0.0,,,0.0,,,,,,,CID649533,CC1(C)CCCC2=C1CC1C(=O)N(c3ccccc3)C(=O)C1C2
+0.0,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,,,0.0,CID1097852,N=c1n(CCOc2ccccc2)c2ccccc2n1CCN1CCOCC1
+,,,,,,,,0.0,0.0,,,,,,,,CID866034,Cc1cc(C)c2c(N)c(C(=O)Nc3ncc(C)s3)sc2n1
+,,,,,,,,,,,,,0.0,,,,CID6510999,CCOCc1c(C(=O)OCC(=O)/C(C#N)=C(\C)N)oc2ccccc12
+,,,,0.0,,,0.0,,,,0.0,,,,0.0,,CID650353,O=C(O)c1cc(O)ccc1-c1ccc(O)cc1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID1519082,CCc1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)n[nH]1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID2217404,CCOc1cc(C(=O)O)cc(Cl)c1OCC#N
+,,,,,,,,,,,,,,0.0,,,CID5413026,CCCc1cc(=O)oc2c(CN3CCOCC3)c(O)ccc12
+,,,,,,,,,,,0.0,,,,,,CID1438067,CCOc1ccc(NC(=O)N2CCC(C(=O)c3ccc(F)cc3)CC2)cc1
+0.0,,,,,0.0,,,0.0,,0.0,,0.0,,,,,CID3242740,O=C(NCc1ccc2c(c1)OCO2)c1cccc(N2CCCC2=O)c1
+0.0,,,,,,,,,,,0.0,,,,,,CID874018,Cn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21
+0.0,,,,,,,,0.0,,,,,,,,,CID3241383,Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1
+,,,,,,,,,,,,0.0,,0.0,,,CID2422303,N#Cc1ccc(COC(=O)Cn2nnc(-c3ccccc3)n2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3243162,CCC(Sc1ncccc1C(=O)O)C(=O)N1CCOCC1
+,,,,,,,,,,,,,,,0.0,,CID676286,S=c1nc(-c2cccc(Br)c2)[nH][nH]1
+,,,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,CID5310124,CCOC(=O)CSc1ccc2nnc(-c3cccs3)n2n1
+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,0.0,CID2156379,O=C(NCCSc1c[nH]c2ccccc12)c1ccc(Br)o1
+,,0.0,,,,,,,0.0,,0.0,0.0,,,,,CID645377,CCC(C)(C)n1nnnc1CN(Cc1ccco1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID1291333,CCC(=O)Nc1cc(OC)c(NC(=O)c2ccccc2)cc1OC
+,,,,,,,,,,0.0,,,0.0,,,,CID1303013,COC(=O)c1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3222353,O=C(NCc1ccc(F)cc1)C(c1ccncc1)N(C(=O)c1csnn1)C1CC1
+,,,,,0.0,,,,,,,,,,,,CID1287749,COc1cccc(C(=O)COc2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID595871,CC(=O)NCCc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,,0.0,CID645386,COC(=O)c1ccccc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCC2
+0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,0.0,CID975753,CCN(CC)c1ccc(CNc2ccc(Br)cn2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2766496,CO/N=C/c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2226993,CCc1cccc(NC(=O)CSCc2cc(=O)[nH][nH]2)c1
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID889945,Cc1ccccc1-c1nnc(SCc2ccccc2)o1
+,0.0,,,,,,,,,,,0.0,,,,,CID3245228,COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OC)c(OC)c2)c(OC)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID3235887,Cc1cc(-n2c(SCC(=O)NCc3cccs3)nc3nnc(C)c-3c2N)ccc1Cl
+,,,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,CID661982,CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID1225103,O=C(N/N=C/c1cccnc1)c1ccc2c(c1)OCCO2
+,,,,,,0.0,0.0,,0.0,,,,,,,,CID2999462,CCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCCN1C(=O)OC(C)(C)C
+,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,0.0,0.0,,,CID873523,CC(=O)Nc1nc(-c2ccccc2)nc(C)c1C(C)=O
+,0.0,,,,,,,,,,,,,,,0.0,CID2946339,CCCN1C(=O)C(O)(C2CC(=O)CC(C)(C)O2)c2ccccc21
+,,,,,,,,,0.0,0.0,,,,,,,CID1087786,COc1ccc(OC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID1252314,CC(=O)N1CCN(Cc2nc3cc(NS(C)(=O)=O)ccc3n2C)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2594965,O=C(c1cncc(Br)c1)N1CCc2ccccc2C1
+,,,,,,,,0.0,,,,,,,,,CID548838,CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
+,,,,0.0,,,,0.0,,,,,,,,,CID678404,CCS(=O)(=O)c1ccc(S(=O)(=O)CC)s1
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,CID3242171,O=C(c1ccc(CS(=O)(=O)c2ccccc2)o1)N1CCC2(CC1)OCCO2
+,,,,,0.0,,,,,0.0,0.0,,0.0,,,,CID2598908,Cc1ccccc1NC(=O)c1cccc(OCc2c(C)noc2C)c1
+0.0,,,,,,,,,,,,,,,,,CID883796,O=C(COc1ccccc1Cl)Nc1ccc(Cl)cn1
+,0.0,,,,,0.0,,,,,,,,,,,CID5310358,Cc1ccc2oc3c(c(=O)c2c1)C(c1cccs1)N(CCCN(C)C)C3=O
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID2532000,Cn1cccc1C(=O)OCC(=O)c1cc2ccccc2o1
+,,,,,,,,,,,,0.0,,0.0,,,CID1332468,O=C(COC(=O)c1cnccn1)c1ccc(OC(=O)c2ccccc2)cc1
+,,0.0,,0.0,,,,0.0,,,,,,,,0.0,CID1301431,O=C(CCc1nc2ccccc2[nH]c1=O)OCc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16189217,CC(C)c1cc(CNC(=O)CC2C(=O)NCCN2CC2CCCCC2)on1
+0.0,,,,,,,,,,,,,,,,,CID663875,O=C(Nc1cccc(Cl)c1)N(CCN1CCOCC1)Cc1cccc(Cl)c1
+,,,,,,,,,,0.0,,,,0.0,,,CID1345472,CCOC(=O)c1ccc(NC(=O)CN2C(=O)CCC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID3621326,O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4730887,O=S(=O)(NCC1CCCO1)c1cnc(Cl)c(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID1176979,O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccccn2)C2CCCC2)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3127348,O=C(NNC(=O)c1cnccn1)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,0.0,,,,,CID3237400,CC1C(=O)C(C)C(c2cccs2)NC1c1cccs1
+,,,,0.0,,0.0,,,,0.0,,,0.0,,,,CID663299,COc1ccccc1-c1nnc2sc(C3CCCCC3)nn12
+,,,,,,0.0,,,,,,,,,,,CID5309093,COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)c1
+,,,,,,,,,0.0,,,,,,,,CID2048402,COc1ccc(CNCCCO)cc1OC
+,,,,0.0,,0.0,,,,,,,,,,,CID2369627,CCN(CC)S(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1
+,,,0.0,,,,,,0.0,,,,,,,,CID658249,CCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID646581,N#CCSc1nc2c(cc1C#N)CCCC2
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID591859,CCOC(=O)NC(Nc1nc2ccccc2s1)(C(=O)OCC)C(F)(F)F
+,,,0.0,,,0.0,,,0.0,,,0.0,,,,,CID652673,Cc1ccc2c(NC(=O)C3CC3)cccc2n1
+,,,,,,,,,,0.0,,,0.0,,,,CID971219,O=C1c2cccc3cccc(c23)C(=O)N1c1ccncc1
+,,,0.0,,,,,,,,,,,0.0,0.0,,CID2971240,CN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
+,0.0,,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,CID565132,O=C(CC(=O)Nc1ccccn1)Nc1ccccn1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID651907,NCc1ccc(-c2nc3ccccc3o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID421269,O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID5309882,NC1=NC2=NC(c3ccc(F)cc3)CC(c3cccc(Cl)c3)N2N1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID1242241,Nn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccccn1
+,,,,,,,0.0,,,,0.0,,,,,,CID3241018,COCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1-c1ccccc1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID663490,COc1ccc(C2C3=C(CC(C)(C)CC3=O)Oc3ncn(CCO)c(=N)c32)cc1OC
+,,,,,,,,,0.0,,,,0.0,,,,CID938394,COc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID9551358,Cn1c(=O)oc2cc(S(=O)(=O)NCCN3CCN(c4ccccc4)CC3)ccc21
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,CID3109118,CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4OC)CC3)C2=O)cc1
+0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,CID3242765,COc1ccc(S(=O)(=O)NCCCCCC(=O)NCCCN2CCOCC2)cc1
+0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,CID2330745,COc1cc(NC(=O)NCc2ccncc2)cc(OC)c1OC
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID593548,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(NC(=O)OC)cc2)CC1
+,,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID666609,CCC(=O)/N=C1\SC2CS(=O)(=O)CC2N1c1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2567345,Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)no1
+,,,,0.0,,,,,,,,,,,,,CID2865053,CNCCOCC(O)CSc1ccccc1
+,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID3240654,C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3nc(C)c(C(=O)OCC)s3)nc21
+,,,0.0,,,,,,,,,,,,0.0,,CID3067696,CCOC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID151091,c1cncc(-c2nn[nH]n2)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID3241268,Cc1c(C(=O)NCCN2CCOCC2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12
+,,,,,,,,,,,0.0,,,0.0,,,CID2256979,COc1ccc(/C=C(\C#N)C(=O)N2CCOCC2)cc1Br
+,,,,,0.0,0.0,,,,,,,,,,,CID5771434,Cc1noc(/C=C/c2ccco2)c1S(=O)(=O)N1CCC(C(=O)N2c3ccccc3CC2C)CC1
+,,,,0.0,,,,,,,,,,,,,CID1243990,CSc1ccccc1NC(=O)c1ccoc1C
+,,,,,,,,0.0,,,,,,,,,CID3382936,CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(F)cc2)CC1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3244953,Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(F)cc4)on3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2718238,COc1ccccc1OCCSc1nnnn1C1CCCCC1
+,,,,,,,,,,0.0,,,,,0.0,0.0,CID2897840,COc1cc(NC(=O)C(C)Oc2ccccc2)cc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID6460689,Cc1ccc(NC(=O)c2ccco2)c(NC(=O)C2CCCO2)c1
+,,,,,,,,,,,,,,0.0,,,CID3208516,CCC(C)(C)NC(=O)CN(Cc1ccccc1Cl)C(=O)CCC(=O)Nc1cc(C)ccn1
+,,,,,,,,,0.0,,0.0,,,,,,CID2235217,O=C(NCCCO)NC12CC3CC(CC(C3)C1)C2
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID2999768,COc1ccc(C(CNC(=O)c2ccc(-n3cnnn3)cc2)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1258225,COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2969832,Cc1cc(C)c(S(N)(=O)=O)c(C)c1N(C)S(=O)(=O)c1ccccc1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID661455,Oc1ccccc1CNn1cnnc1
+,,,,,,0.0,,,,,,,,,,0.0,CID1371284,O=C(Cc1ccc(Br)cc1)N1CCN(Cc2ccccc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID5309498,COc1ccc(S(=O)(=O)n2nc(-c3cc(OC)c(OC)c(OC)c3)cc2N)cc1OC
+,,,,,,0.0,,,,,,0.0,,,,,CID2997958,CC1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)NC(=O)NCc2ccco2)C1=O
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID659684,O=C1CCCCCN1CSc1nc2ccccc2s1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID2998009,CCOC(=O)c1ccoc1CSCC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1253361,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c(C)c1
+,,,,,,,,,,,0.0,,,,0.0,,CID667211,COc1ccc(-c2cc(=O)oc3cc(OCc4nn[nH]n4)ccc23)cc1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID2899080,CC(Oc1ccc(Cl)cc1)C(=O)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID2766814,S=c1nc(Cc2ccc(Cl)cc2)[nH]c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID1504392,Cc1ccc2nsnc2c1S(=O)(=O)NCCc1c(C)[nH]c2ccc(F)cc12
+,,,0.0,,,,,,,,0.0,0.0,,,,,CID653069,Fc1cccc(NCc2cn3ccccc3n2)c1
+,,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,CID848348,O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccnc1
+0.0,,,,,,0.0,0.0,,0.0,,,,,,,0.0,CID2196705,COc1ccc(N2CCN(CC(=O)Nc3cc4c(cc3C(C)=O)OCO4)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1472871,CCCC(=O)Nc1ccc(C#Cc2ccccc2)cc1
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID650571,COc1ccc(C(OC(=O)c2ccco2)C(=O)NC2CCCCC2)cc1OC
+,0.0,,,,,,,,,0.0,,,,,,,CID645924,c1ccc(Cn2nnc3c(NCCN4CCOCC4)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID2289387,Cc1cccc(CSCCNC(=S)Nc2ccccc2)c1
+,0.0,,,,,,,,,,0.0,,,,,,CID3245891,Cn1c(C(=O)N2CCc3ccccc3C2)cc2c(=O)n3ccccc3nc21
+,,,,,,0.0,0.0,,,,,0.0,0.0,,,,CID650583,Cc1cc(C)c(NC2=NCC(=O)N2C2CCCCC2)c(C)c1
+0.0,0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,,,,,CID2126261,O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cc(Cl)ccc1Oc1ccccc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID5389701,O=C1CC(c2ccccc2)N2NC(NC(=O)c3cccs3)=NC2=N1
+0.0,,,,,,,,,,,,,,,,,CID3245374,COc1ccc(OCc2ccc(-c3nc4ccccc4c(=O)n3N)o2)cc1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID255754,CCCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C
+,,0.0,,,,0.0,,,,,,,,,,,CID654918,CC(C)(C)c1nc(NCCN2CCOCC2)c2nnn(Cc3ccccc3Cl)c2n1
+,,,0.0,,,0.0,,,,,,,,,,,CID5389447,CN(C)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCCO3)C1c1ccco1
+,0.0,0.0,,,,,,0.0,0.0,,,0.0,,,,,CID3237956,COc1ccc(CCNC(=O)CN2C(=O)C3(OCCCO3)c3ccccc32)cc1OC
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID4384043,O=C(CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1)NC1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID2572372,O=C(COc1ccc(Cl)cc1)NCCc1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID4295119,O=C1NC(=O)C2(C(=O)N1)C(c1ccc(F)cc1)NC(=S)NC2c1ccc(F)cc1
+,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,0.0,,CID2125629,Cc1cc(NC(=O)COC(=O)COc2ccc3c(c2)CCC3)no1
+,,,,,,,,,,,,,0.0,,,,CID902053,CNC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1
+,,,,0.0,,,,,,,,,,,,,CID715021,CCOC(=O)c1sc2cccc(F)c2c1N
+,0.0,0.0,,,,0.0,,,,,,0.0,,0.0,,0.0,CID660974,CCn1cnc2sc(-c3ccccc3)cc2c1=O
+0.0,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID667043,CCCCCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,0.0,,,,,,CID1251341,O=C(c1ccncc1)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID685436,CSc1nccn1CC(=O)Nc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID900170,Cc1nc2ccccn2c1C(=O)N/N=C/c1ccc2c(c1)OCO2
+,,,,,,0.0,,,,0.0,,,,,,,CID5308029,NC1=NC2=NC(c3ccc(F)cc3)CC(c3ccco3)N2N1
+,,,,,,,,,,,,,0.0,0.0,,,CID5350491,C(=C/c1nc(N2CCCC2)c2ccccc2n1)\c1ccccc1
+0.0,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,CID667209,COc1ccc(Cc2nn3c(-c4ccccc4OC)nnc3s2)cc1
+,,,,,,,,,0.0,,,,,0.0,,0.0,CID651378,CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1487494,COc1cnn(-c2ccc(F)cc2)c(=O)c1Br
+,,,,,,,,,,,,,0.0,,,,CID4314906,CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)COc2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID2218619,Cc1cccc2sc(NC(=O)C3c4ccccc4Oc4ccccc43)nc12
+,,,0.0,,,,,,,,,,,,,0.0,CID2199640,c1ccc(SCCOCCn2cncn2)cc1
+0.0,,,,,,,,,,,,,,,,,CID662094,O=C(NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2-c1ccccc1)c1cccnc1
+,,,,,,,,0.0,0.0,,,,,,,,CID148737,COc1ccc(CN2CCC(=O)NC2=O)cc1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID3243019,Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N3CCOCC3)ccc2N2CCCCC2)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2039413,Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID752437,CC(C)C(=O)Nc1cccc(-c2cn3ccsc3n2)c1
+,,,,,,,,,,,,,0.0,,,,CID4881954,O=C(CCOc1ccccc1)Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID4247296,CCc1ccc(NC(=O)N(CCCN2CCOCC2)Cc2cccs2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3215855,Cc1ccc(CN(C(=O)CNC(=O)c2cccs2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID638860,CCOC(=O)c1cc(-c2ccccc2)sc1N
+0.0,,,,0.0,,,,,0.0,,0.0,0.0,,,,,CID672053,Cc1nc2cccc(C(=O)NC3CCCCC3)c2o1
+,,0.0,,,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID2787276,COc1ccc(OC)c(NC(=O)Nc2ccccc2C)c1
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID663418,COc1cccc(OCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c1
+,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID1625203,CCc1c(C)[nH]c(N/C(=N/C(=O)c2ccccc2)Nc2ccccc2OC)nc1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID3213471,Clc1ccc(C(c2nnnn2CCc2ccccc2)N2CCSCC2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID651567,O=C(NCC(=O)N(c1ccc(F)cc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5336612,Cc1c(N/C=C2/C(=O)N(C)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,,0.0,,,,,,,,,,,CID665252,c1ccc2c(CNCCN3CCOCC3)cccc2c1
+,,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,,CID675181,COc1ccc(OC)c(NC(=O)c2cc3ccccc3o2)c1
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID1520549,CCCc1nc(N2CCN(C)CC2)c2sc(=S)n(-c3ccccc3)c2n1
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,0.0,CID3237378,O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID671359,CCOC(=O)CSc1ncc(-c2ccc([N+](=O)[O-])cc2)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID11958845,CN1c2ccccc2C(=O)/C(=C(/O)Nc2ccccc2)S1(=O)=O
+,,,,,,,,,,0.0,,,,,,,CID3998269,COCCn1c(SCC(=O)Nc2ccc(S(=O)(=O)N(C)C)cc2)nc2ccccc21
+,,,0.0,,,,,0.0,,,,,,,,,CID781069,O=c1cc(C(F)(F)F)[nH]c(-c2ccccc2)n1
+,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,0.0,,CID648339,CCCOc1ccc(C(=O)NCc2cccnc2)cc1
+0.0,,,,,,,,,0.0,,,0.0,,,,,CID5308396,CC1CCCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1
+,,,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,CID3242295,CCOC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)c3ccc(C)cc3)c(NC(C)=O)c2)CC1
+,,0.0,,,0.0,,,,,,,0.0,,,0.0,,CID3160168,CC(C)(C)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2
+,,,,,,,,,,,,,,0.0,,,CID3099462,[O-][N+]1=C2CCc3nonc3C2(O)C2CCCCC21N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID881972,Cc1ccoc1C(=O)Nc1cccc(Oc2ccccc2)c1
+0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID3244962,Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1
+,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,CID3239048,Cc1ccccc1Cn1nnc(C(=O)Nc2cccc(C)c2C)c1N
+0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,CID3241805,COc1ccccc1C(=O)NCCn1cc(SCC(=O)Nc2cc(C)on2)c2ccccc21
+0.0,,0.0,,0.0,,,,0.0,,,,,0.0,,,,CID2236868,Cc1cccc(-c2noc(CN(C(=O)c3ccc4c(c3)OCO4)C(C)C)n2)c1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID672604,O=c1c2nnn(Cc3ccccc3)c2ncn1-c1ccccc1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID3244211,O=C(NCCCN1CCCC1=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1
+,,,0.0,0.0,,,,,,,,,,,,,CID836502,COCC(=O)Nc1nc2ccc(C)cc2s1
+,,,,,,,,,,,,,0.0,,,,CID831978,CCOC(=O)c1sc(NC(=O)c2ccco2)c(C#N)c1C
+,,,,,,,,,,,,,,0.0,,,CID38045,O=c1oc2ccccc2c(N2CCCCC2)c1[N+](=O)[O-]
+,,,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,CID5308752,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NC(C)c4ccc5c(c4)OCCO5)c3C2=O)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID1245327,N#Cc1c(NC(=O)c2ccncc2)sc2c1CCC2
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID2875367,CC1(C)N=C(C(=O)c2ccccc2)N(O)C1(C)O
+0.0,0.0,,,,,0.0,,0.0,,0.0,,0.0,,,,,CID561960,CCCn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID972703,CC1CCN(CC(=O)NCc2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID655687,CC(C)c1nnc(NC(=O)c2cnccn2)s1
+,,,,,,,,,,,,,,0.0,,,CID723994,O=S(=O)(c1ccccc1)N1CC=C(c2ccccc2)CC1
+,,,,,,0.0,,,,,0.0,,,,,,CID665375,Cc1cc(N2CCOCC2)n2nc(C)c(-c3ccccc3)c2n1
+,,,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,CID2955022,Cc1nc(C)n(CC(O)COc2ccc(C(=O)c3ccccc3)cc2)n1
+,,,,,,,,,,,0.0,,,,,,CID2087864,Cc1c(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)c(=O)n(-c2ccccc2)n1C
+,,0.0,0.0,,,,,,,,,,,,,,CID618525,N=c1c2c3c(sc2nc2n1CCC2)CCCC3
+,,,,,,,0.0,,,0.0,,,,0.0,0.0,,CID605028,NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccccc3)cs2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5346119,CCOc1ccc(C(=O)NC2=C/C(=C3/Nc4ccccc4S3)C(=O)C=C2)cc1Cl
+,0.0,,,,,0.0,,,,0.0,,,,,,,CID656035,COCCCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID3797114,Cc1ccc(N2CC(C(=O)Nc3cc(C)ccc3F)CC2=O)cc1
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+,,,,0.0,,,,,,,,,,,,,CID3240283,O=C(CSC1=Nc2ccccc2C2=NC(CC(=O)NC3CCCCC3)C(=O)N12)NCc1ccco1
+,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,0.0,CID3235829,CC1CCC(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)CC1
+,,,,,0.0,,,,,,,,,,,,CID1875477,CC1=[N+]([O-])C(C)(C)C(c2cccs2)=[N+]1[O-]
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+,,,0.0,,,,,,,,,0.0,,,0.0,,CID976859,CCCC(=O)Nc1ccc(OCC(=O)OC)cc1
+,,,,,,,,,,,,,,,0.0,,CID2533589,O=C(CCC(=O)N1CCc2ccccc2C1)N1CCN(S(=O)(=O)c2ccccc2)CC1
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+,,,,,,,,,,,,,0.0,0.0,,,CID544682,CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID5330,COc1ccc(NS(=O)(=O)c2ccc(N)cc2)nn1
+,,,,,,,,,,,,,,0.0,,,CID1481234,O=C(NNC(=O)c1ccccc1-n1cccc1)c1cccc(Cl)c1
+0.0,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID646837,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)N3CCCC3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID768334,O=C1/C(=C/c2ccccn2)N2CCC1CC2
+,,,,,0.0,,,0.0,,,,,,,,,CID2081097,COc1ccc(CCC(=O)Nc2nc3ccccc3[nH]2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1520085,CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1
+,,,,,,,,,,0.0,,,,,,,CID912279,Cc1[nH]c2ccccc2c1C(=O)CNc1nccs1
+,0.0,,,,,0.0,,0.0,,,,,,,,,CID5309971,Cc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)n1
+,,,,,,,,,,,,,,0.0,,,CID1824663,O=C(O)/C=C\c1cccc(-n2cnnn2)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID3109124,CN1C(=O)CC(N2CCN(c3ccccc3)CC2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2094118,COc1ccc(-c2nc(=O)c3c[nH]ccn2-3)cc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID651339,COc1cc(NC(=O)Nc2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCCCC1
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+,,0.0,0.0,,,,0.0,,,,,,,,,,CID3236699,COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c2ccccc21
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID2218471,COCCSc1ccccc1C(=O)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID2850743,CC12CC3CC(C1)CC(CNC(=S)Nc1ccccc1)(C3)C2
+,,,,,,,,,,,,,,0.0,,,CID4884956,C=CCn1c(C)cc(C2=NN=C(NC(C)(C)C)SC2)c1C
+,,,,,,,,,,,0.0,,,,,,CID1364230,COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=O)c2ccc3c(c2)OCO3)cc1
+,0.0,,0.0,,,0.0,,0.0,,,0.0,0.0,,,,,CID663467,CCc1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1
+,,,,,,,,,,,0.0,,,,,,CID3304981,N#CC(c1ccc(Cl)cc1)(c1ncc(C(F)(F)F)cc1Cl)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID657545,COC(=O)C(NC(=O)c1ccccc1)=C(C)C
+,,,,,0.0,,,,,,,,,,,,CID2296689,O=c1c2ccccc2ncn1CCCSc1ccc(Cl)cc1
+,0.0,,,,0.0,,,,,,,,,,,,CID4535574,O=C(NCC1CCCO1)C1CC(=O)N(c2ccc(F)c(Cl)c2)C1
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+,,,,,,,,,0.0,,,,,,,,CID652457,Cn1nc(CC(=O)Nc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)c2ccccc2c1=O
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+0.0,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,CID648161,Cc1c(Cl)cccc1N(CC(=O)N1CCCCCC1)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID2834773,COC(=O)C1C(=O)c2c(C)noc2CC1(C)C
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID3241192,COCCNC(=O)Cn1c(=O)n(CCC(=O)NCCc2ccccc2)c(=O)c2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID650751,CCOC(=O)c1ccc(NC(=O)NC2CC3CCC(C2)N3Cc2nnnn2C(C)(C)C)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID972468,COCC(=O)Nc1nc(-c2ccccc2)ns1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2997840,Brc1c(CSc2nnc(-c3ccco3)o2)nc2ccccn12
+,,,,,,,,,,,,,,0.0,,,CID2790202,CC(C)C(=O)Nc1ccc([N+](=O)[O-])cc1Br
+,,,,,,,,,0.0,,,,,,0.0,,CID5308148,COc1cccc(C2CC(c3ccccc3)N=C3N=CNN32)c1
+,,,,,0.0,,,,,,,,,,,,CID2887078,Cn1c2c(c(=O)[nH]c1=O)C(c1ccc(OCc3ccccc3)cc1)C1=C(N2)c2ccccc2C1=O
+,,,,0.0,,,,,,,,,,,,,CID3237497,Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2378433,Cc1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID2852104,CCCCCCNC(=O)CSc1nccn1Cc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID3243861,Cc1ncc2c(c1OC(=O)c1ccccc1)COC(C)(C)OC2
+,,,,,0.0,,,,,,,,,,,,CID5731123,CCn1c(/C=C/c2ccc([N+](=O)[O-])o2)nc2ccccc2c1=O
+,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID660384,C=C(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
+,0.0,,,,,0.0,,,0.0,,,,,,,,CID2052852,O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID2552702,O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID3117810,O=C(NCCSc1ccccn1)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID4263541,CCOC(=O)C1CN(S(=O)(=O)c2ccccc2)c2cc(S(=O)(=O)CC)ccc2O1
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+,,,,,,,,,,,,,0.0,,,,CID2763485,O=C(CNC(=O)c1ccccc1)NCCO
+,,,,,,,,,,,,0.0,,,,,CID2165688,O=C(c1cnn2c(C(F)F)cc(C3CC3)nc12)N1CCOCC1
+,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID898494,CCOC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID2148483,Cn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID2540865,COCCN(C(=O)/C=C/c1ccccc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID1328504,CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)c1
+,,,,,0.0,,,,,0.0,,,,,,,CID1379260,COc1ccccc1-n1c(O)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID792235,C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(Cl)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID797861,O=c1oc2c3c(nn2c2ccccc12)CCCC3
+,,,,,,,,,,,,,0.0,,,,CID1149724,CCOC(=O)c1ccc(S(=O)(=O)NNC(=O)COc2cccc(C)c2)cc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID5922605,CCc1ccc(OCC(=O)NC2=CC(=O)/C(=C3/Nc4ccccc4O3)C=C2)cc1
+,,,,,,,,0.0,,,,,,,,,CID540952,CCOC(=O)c1c(NC(C)=O)sc2c(OC)c(Br)ccc12
+,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,,CID797071,CCNc1nc(Oc2ccc(C(=O)OCC)cc2)nc(SC)n1
+0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,,,CID654028,CCC(C)C(=O)Nc1nnc(-c2cccs2)s1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID380675,Nn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccccc1
+0.0,,,0.0,,0.0,,,,,,,,,,,0.0,CID3237294,CCn1c(=O)cc(SCC(=O)N2CCN(c3ccccc3OC)CC2)c2ccccc21
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID1288938,Cn1c(=O)c2c(nc(OCc3cccnc3)n2Cc2c(F)cccc2Cl)n(C)c1=O
+,,0.0,,,,0.0,,,,,,,,,,,CID1247470,CCOc1ccccc1N1CCN(C(=O)c2c(C)noc2C)CC1
+,,,,,,,,,,,,,,0.0,,,CID902933,Cc1ccccc1C(=O)N/N=C/c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID2972072,CCOCCc1nnc(NC(=O)C(CC)c2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID5101624,COc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1
+0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID2485756,Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(-c3cc(C)on3)c2C)c(C)c1
+,,,,,,,,,,0.0,,,,,,,CID2937052,COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID680336,O=C(Cn1cnc2ccccc2c1=O)c1ccc2ccccc2c1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID2998335,CCN1C(=S)SC(=O)C1=C1C=C(C)N(CCOC)C(C)=C1
+0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID3000181,Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12
+,0.0,,,,0.0,,,,0.0,,,,,,,,CID5771426,CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1ccc(OC)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID3397993,Cc1sc(NC(=O)C2CCCO2)c(C(N)=O)c1C
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID3130946,CCCc1[nH]nc2c1C(C(C)C)C(C#N)=C(N)O2
+,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,0.0,CID1180341,C=CCn1c(Cc2csc(N)n2)nnc1SCc1ccc(C(=O)OC)cc1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID665111,O=C1CC(c2ccco2)Cc2nc(NCC3CCCO3)ncc21
+,,,,,,,,,,0.0,,,,,,,CID3248765,CCCCC1(C)NC(=O)c2c(C)sc(C(=O)OCC)c2N1
+0.0,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,0.0,CID1158565,O=C(Nc1nccs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID946223,COc1cccc(/C=N/NC(=O)CCn2nnc3ccccc32)c1
+,,,,,,,,,,,,,,0.0,,,CID3746804,CCOc1nc(-c2ccc(Cl)cc2Cl)ccc1C#N
+,,,,,,,,,,,0.0,,,,,,CID4132068,COc1ccc(Br)cc1C1Nc2ccccc2C(=O)N1NC(=O)c1ccncc1
+,,,0.0,,,,,,,,,,,,,,CID3235715,CCCCCn1c(S(=O)(=O)O)nc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID2962515,COc1cc(Cl)cc(C2NC(=O)NC(C)=C2C(C)=O)c1OCC(=O)O
+,,,,,,,,,0.0,,,,,0.0,,,CID3847343,O=S(=O)(Nc1ccc(Oc2ncccn2)c(Cl)c1)c1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,,,CID3245407,Cc1[nH]c2ccccc2c1C1=CCNCC1
+,,,0.0,,,,,,,,,,,,,,CID351610,Nc1nnc(-c2ccco2)s1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,0.0,,,CID662954,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID3239687,COCCn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O
+,,,,,,0.0,,,,,,,,,,0.0,CID645462,CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1
+,0.0,,,,,0.0,,,,,,,0.0,,0.0,,CID650837,O=C(NC1CCCC1)c1ccc2nc[nH]c2c1
+,,,,,,,0.0,,,,0.0,,,0.0,,,CID1253265,CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21
+,,,,,,,,,,0.0,,,,,,,CID2335342,c1ccc(/N=C2\N=C(Nc3ccccn3)c3ccccc32)nc1
+,,,,,,,,,,,0.0,,,,,,CID1224017,CCOC(=O)COc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1348398,N=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1c1nccs1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID650957,CC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(CCc3ccccc3)C2C1
+,0.0,0.0,,,,,,0.0,,,,,,,,0.0,CID656060,CC(C)n1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,0.0,0.0,,,,,,,CID3224729,Cc1cc(NC(=O)CSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)no1
+,,,0.0,,,,,,,,,,,,,,CID651655,CCC(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21
+,,,,,,,,0.0,,,,,,,,,CID2218579,COCCSc1nnc(NS(=O)(=O)Cc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID2791433,COc1ccc(N2C(=O)C(Cl)=C(Oc3cccc(OC)c3)C2=O)cc1
+0.0,0.0,,,,,,,0.0,,,,,,,,,CID3384365,Cc1cccc(NCc2nc(-c3ccccc3)no2)c1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID3242079,CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C
+0.0,,,,,,,,,,,,0.0,,,,,CID2264774,COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID2171649,CCCCCCCCC(=O)N/N=C/c1ccccn1
+,,,,,,,,,,,0.0,,,,,,CID6416317,O=C1Nc2ccc(F)cc2C12Nc1ccccc1-c1nnc(SCc3ccccc3F)nc1O2
+0.0,,0.0,0.0,,,,,,,,,,,,0.0,,CID4997938,COc1ccc(C(c2sc3nc(C)nn3c2O)N2CCN(Cc3ccccc3)CC2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID2952677,CCOC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC)C1c1ccc(C)s1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID2998569,CCOc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2=O)cc1
+,0.0,,0.0,,,,,0.0,,,,,,,1.0,0.0,CID652559,Cc1sc2nc(CN3CCN(S(=O)(=O)c4cccc5nonc45)CC3)[nH]c(=O)c2c1C
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,,CID1258837,O=C(O)CCSc1nnc(-c2ccncc2)n1-c1ccccc1
+0.0,,,,,,0.0,,,,,,0.0,,,,0.0,CID655875,COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccccc3)CC2)cc1OC
+,,,,,0.0,,0.0,,,,,0.0,,,0.0,,CID793678,C=CCc1cccc2cc(C(=O)N(CC)CC)c(=O)oc12
+,,,,,,,,,,,,,,0.0,,,CID16189957,CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1
+,0.0,,,,,,,,0.0,,,,,,,,CID655039,COc1cc(S(=O)(=O)NCC2COCCO2)ccc1-n1cnnn1
+,,,,,0.0,,,,,,0.0,,,,,,CID1261465,COc1ccc(-c2cc(C(=O)Nc3nc4c(C)cccc4s3)c3ccccc3n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2180314,O=C(COc1cccc2ccccc12)NCCO
+,0.0,0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID1147959,COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2219320,COc1ccc(NC(=O)c2cccnc2Nc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2207252,CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(COC)s2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1893821,CCCNC(=O)c1cn(CC)c2cc(N3CCN(C)CC3)c(F)cc2c1=O
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,CID651893,CC(=O)NC1CC2CCCC(C1)N2
+,,,,,,,,,,,0.0,,,,,,CID1766046,Cc1nn(C)cc1/C=C1\CCC/C(=C\c2cn(C)nc2C)C1=O
+,,,,,,,,,,,,,,0.0,,,CID15685,CCOc1ccc(NC(C)=O)cc1[N+](=O)[O-]
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+,,,,,0.0,,,,,,,,,,,,CID3310466,COc1nn(C(C)C(=O)N/N=C/c2cccc3ccccc23)cc1[N+](=O)[O-]
+,0.0,0.0,,,,,,,0.0,,,,0.0,,,0.0,CID786378,CN(C)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1
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+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID1334231,Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2cc1C
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+0.0,,,,,,,,0.0,,,,,,,,,CID3244157,Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)N1CCN(c2ncccn2)CC1
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+,0.0,,,,,,,,,0.0,,,,,,,CID2997756,Nc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)nc(-c2ccccc2)n1
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+,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,,CID3152331,Cc1cc(C)c2c(=O)[nH]n(C3CCOC(C)(C)C3)c2n1
+,0.0,,,,,0.0,,,,,,,,,,,CID663606,CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)/c1=N/C(=O)c1ccncc1
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+,,,,,,,,,,,,,,0.0,,,CID821545,CC(=O)c1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
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+,,0.0,,,,,,,,,,,,,,0.0,CID1286615,CC1(C)CC(=O)C2=C(C1)NC(Nc1nc3ccccc3o1)=NC21CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID1349987,Cn1c(/C=N/NC(=O)c2ccccc2Br)nc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID901913,NC(=O)c1cccnc1Nc1cccc([N+](=O)[O-])c1
+,,,,,,0.0,,,0.0,,,,,,,0.0,CID652269,COc1ccc(OC)c(C(c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID1517735,COc1ccc(Cl)cc1-c1nc(-c2ccc(Br)o2)no1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID1542100,Clc1ccc(Cn2ncc3c(NCCN4CCOCC4)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID1473626,COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)c(=O)oc1C
+0.0,,0.0,,,,,,0.0,,,,,,,,,CID3239735,N#Cc1ccccc1Cn1c(=O)n(CCCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21
+,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,,,CID654229,COc1ccc(CNC(=O)c2ccc3nccnc3c2)cc1
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+0.0,,,,,,0.0,0.0,,,,,0.0,,,,,CID972165,c1ccc2[nH]c(CN3CCCCCC3)nc2c1
+,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID4205813,COC(=O)CSc1nc(C)cc(Oc2ccccc2)n1
+0.0,,,,,,,,,,,,,,,,0.0,CID3240969,COc1ccc(OC)c(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID886956,CCOC(=O)C1CCN(C(=O)/C=C/c2ccc(OC)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID713871,CNC(=O)c1nnn(Cc2ccccc2)c1NC(=O)C(F)(F)F
+,,,,0.0,,,,,,,,,,,,,CID2261547,O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c(Sc2ccccn2)cc1Sc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2150837,COc1ccc(C(=O)/N=c2\sc3c(C)ccc(OC)c3n2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID879962,CCc1nnc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)s1
+,,,,,,,,,,,,,,0.0,,,CID827813,CCOc1ccccc1C(=O)NN1C(=O)CCC1=O
+,,,,,,,,,0.0,0.0,,,,,,,CID3237487,COc1ccc(CCNC(=O)CSc2nnc(CNC(=O)c3ccccc3F)o2)cc1OC
+,0.0,,,,,0.0,0.0,,,,,0.0,,,,,CID2101070,c1cncc(CNC2=NCCCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2462480,COC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc([N+](=O)[O-])c1
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+,,,,,,,0.0,,,,,,,,,0.0,CID2827417,C#CC(CO)N(CCN(Cc1ccccc1)C(C#C)CO)Cc1ccccc1
+,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID3241089,O=C(NCc1cn2ccsc2n1)c1cccc(C(F)(F)F)c1
+,0.0,,,,,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,CID2999218,CC(C)C(NC(=O)OCc1ccccc1)C(=O)OCC(=O)N1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID645805,CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2ccncc2)n1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2084622,CCSc1nnc(NC(=O)Cc2ccc(OC)c(OC)c2)s1
+,,,0.0,,,,,0.0,,,,,,,,,CID1266484,CCOC(=O)c1cnc2nc(NCc3ccc(OC)c(OC)c3)[nH]n2c1=O
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+,0.0,,,,,,,,,,,,,,,,CID3239259,CCCCCCn1c(CN2CCCCC2C)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID3157351,CCC(=O)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1
+0.0,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,CID2507423,Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)s1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID667254,Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccn4)CC3)cc(C)nc21
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+0.0,,,,,,,,,,,,,,,,,CID665975,Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O
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+,0.0,,,,,,0.0,,,,0.0,,,0.0,,,CID647233,Nc1nnc(CC(=O)N2CCCCC2)s1
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+,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID2999893,C=CCn1c(SCC(=O)NC(=O)NCc2ccco2)nc2sc(C)c(C)c2c1=O
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+,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID665224,CC(=O)Nc1nn(C)c2nc3cc(C)ccc3cc12
+,,,,,,,,,0.0,,,,0.0,,,,CID920396,CCOC(=O)c1ccccc1N/C=C1\CCCCC1=O
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+,,0.0,,,0.0,,,,,,,0.0,,,0.0,,CID2158952,COc1ccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)o2)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID649302,COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc4C3)c(=O)[nH]c2c1
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+,0.0,,0.0,0.0,,,0.0,,,,,0.0,,,,,CID3243959,CC1CCc2c(C(=O)NCCN3CCOCC3)csc2C1
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+,,,,,,,,,,,,,0.0,0.0,,,CID2533631,CN(Cc1cccs1)C(=O)Cc1csc(-c2ccccc2)n1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID2502379,CC(C)CCn1c(SCC(=O)OCn2nnc3ccccc3c2=O)nc2ccccc2c1=O
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+,,0.0,,,,,,,,,,,,,,,CID3243537,O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCN1CCN(Cc2ccccc2)CC1
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+,,,,0.0,,,,,,,,0.0,,,0.0,,CID1259807,COc1cc(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc(OC)c1OC
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+0.0,,,,,,,,,,,,,,,,,CID653914,COc1ccc(-c2nnn(CC(=O)N(CC(=O)NCCC(C)C)Cc3cccs3)n2)cc1OC
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+0.0,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,,,CID664639,CC(C)Cn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
+0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,CID3237342,Cc1cccc(C)c1NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+0.0,0.0,,0.0,,0.0,,,0.0,,,,,,,,0.0,CID1379178,CCN(CC)C(=O)CSc1nc(=O)cc(O)n1-c1ccccc1OC
+,,,,,,,,,,,,,0.0,,,,CID752656,CCCn1c(=N)c(C#N)cc2c(=O)n3cccc(C)c3nc21
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+,,,,,,,,,,,,,0.0,,,,CID6413481,FC(F)(F)c1nnc(-c2ccccc2)nc1Oc1ccc(Cl)cc1Cl
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID613159,CCCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
+,,,,,,,,,,0.0,,,,,,,CID2465138,O=C(NC1CCC(O)CC1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2332950,CCOC(=O)c1c(C)nc(SC)c(C#N)c1-c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID679717,CC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1
+,,0.0,0.0,,,,,0.0,,,,,,,,,CID647012,CCS(=O)(=O)Nc1ccc(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2165175,Cc1cc(Cl)ccc1OCCCC(=O)N1CCOCC1
+,,,,,0.0,,,0.0,0.0,,,0.0,,,,0.0,CID647363,COc1ccccc1-n1c(SCC(N)=O)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3155683,CC1CCCCC1NC(=O)COC(=O)c1ccccn1
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+,,,,,,,,,,,,,,0.0,,,CID2375678,N#Cc1c(NC(=S)NC(=O)C2CCCC2)sc2c1CCCCC2
+,,,,,,,,0.0,,,0.0,,,,,,CID1633309,CCCCCCCSc1nc(=O)cc(N)[nH]1
+,,,,,,,,,,,,,,0.0,,,CID731741,c1ccc(-c2nnc(-c3ccncc3)o2)cc1
+,,,,,,0.0,,0.0,,,0.0,0.0,,,,,CID2237509,COc1cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID11958585,COCCNC(=O)c1onc(CSc2ccccc2C)c1C(=O)O
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID2933581,O=C(Nc1ccc(Oc2ccc(NC(=O)C3CCCO3)cc2)cc1)C1CCCO1
+,,,,,,,0.0,,,,,,,,,,CID967057,CC(C)C(NC(=O)CN1C(=O)c2ccccc2S1(=O)=O)C(C)C
+0.0,,,,0.0,,,0.0,,,,0.0,,,,,,CID650771,CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1cc(C)ccc1C
+,,,,,0.0,,0.0,,,,,,,,,,CID649636,CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F
+,,,,,,,0.0,,,,,,,,,,CID5308085,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NCCc2ccccc2)C3C1=O
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+,,,0.0,0.0,,,,0.0,,,0.0,0.0,0.0,,,0.0,CID846970,Cc1ccc(C)c(S(=O)(=O)Nc2ccc(O)cc2)c1
+,,,,,,,,,,,,,1.0,,,,CID729919,O=C(NNC(=O)c1cccs1)c1ccc(Br)o1
+,,,,,,,,,,,,,,,,0.0,CID1105048,COc1ccccc1N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID1361501,Cc1cc(C)c2nc3s/c(=C\c4ccc5c(c4)n(C)c(=O)n5C)c(=O)n3c2c1
+,,,,0.0,,0.0,,,,,,,,,,,CID2084553,Cc1cccc(-n2nnnc2SCn2nnc3ccccc3c2=O)c1
+,,,,,,,,0.0,,,,,,,,,CID2967098,COC(=O)C1=C(C)N(C2CCCC2)C(=O)C1(NC(C)=O)C(F)(F)F
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+,,,,,,,,,,,,,0.0,,,,CID2513146,O=C(NCCC(=O)N1CCN(c2ncccn2)CC1)c1ccccc1Cl
+,,,,,,,,0.0,,,,,,,,,CID948704,O=c1c(-c2ccco2)[n+]([O-])c2ccccc2n1OCc1ccccc1
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID2221887,COc1cccc(NC(=O)Cc2nnc(SCCOc3ccccc3)n2C)c1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1474573,Cc1cc(-c2ccccc2)nc(N(C)NC(=O)c2ccc(Cl)cc2)c1S(C)(=O)=O
+0.0,,,0.0,,,,,0.0,,,,,,,,0.0,CID2980567,CN1C(=O)NC(NC(=O)C2CCCCC2)(C(F)(F)F)C1=O
+0.0,,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,CID666425,CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CCCSc1ncccn1
+,,,,,,,0.0,,,,,,,,,,CID3239311,Cc1cc(=O)oc(C)c1C(=O)NCCCN1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID2045841,CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(C#N)cc1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID5711745,CC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1OCc1ccccc1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID1190244,Cc1sc2nc3c4ccccc4c(NCc4ccco4)nn3c(=O)c2c1C
+0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID649104,COCc1nc2ccccc2n1CCOc1ccccc1OC
+,,,,,,,,,,,,0.0,,,,,CID3243668,CCOC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12
+,0.0,,,0.0,0.0,0.0,,,,,,,,,,,CID3236285,CCn1c(C(C)NC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID5767123,Cc1nn(C)c(C)c1CNC(=O)C1=C(Cl)C2=NC(c3cccs3)CC(C(F)(F)F)N2N1
+,,0.0,,,,,,,,,,,,,,,CID5764608,Cc1ccc(C2CC(C(F)(F)F)N3NC=C(C(=O)NCc4ccco4)C3=N2)cc1
+0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,0.0,0.0,CID1253256,CCCC(=O)Nc1cc(Cl)ccc1N1CCN(C(=O)CC)CC1
+,,,,,,,,,,,,,0.0,,,,CID1482785,CCOC(=O)C1CCN(Cc2cnc(Oc3ccc(N)cc3)s2)CC1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID652668,Cc1ccc(C(=O)CSc2nc(=O)cc(N)[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID897223,COc1ccc(CNC(=O)c2ccc(C(C)C)cc2)cc1
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID1510322,O=C(c1ccc(N2CCNCC2)cc1)c1cccnc1
+,,,,,,,,,,,,,0.0,,,,CID1135856,O=C(Nc1ccc(NC(=S)NC(=O)c2cccs2)cc1)c1ccco1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID3238111,Cc1cc(NC(=O)c2cc(C(C)C)on2)no1
+,,,,,,,,,,,,,0.0,,,,CID904093,Cc1[nH]ncc1/N=C/c1ccc([N+](=O)[O-])cc1
+,,,0.0,,0.0,,,,,,,,,0.0,0.0,,CID3241739,O=C(NC1CCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,0.0,,,,,0.0,0.0,,,,0.0,,,CID713785,Cc1nc(Sc2nnnn2-c2ccccc2)c(C#N)c(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID2791423,CCc1ccc(Oc2coc3cc(OC(=O)c4cc5ccccc5oc4=O)ccc3c2=O)cc1
+,,0.0,,,,,,,,,,,,,,,CID1833770,COC(=O)Cc1cc(=O)nc(/N=C(\N)Nc2ccc(C)cc2C)[nH]1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID658786,CC(C)NCc1c(O)c(Br)cc2oc3c(c12)CCCC3
+,,,,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,CID3240121,CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)c2cc(OC)c(OC)c(OC)c2)o1
+0.0,,,,,,0.0,,,,,,,,,,,CID2950867,O=C1CC(N2CCN(c3ccc(F)cc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID2979343,O=C1CC(SCCO)C(=O)N1c1ccccc1
+,,0.0,,,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,CID2418894,CCOC(=O)C1CCN(C(=O)CSC2=NCCS2)CC1
+,,,,,,,,,,,,,,0.0,,,CID5833600,COc1cc(OC)cc(C(=O)O/N=C(\N)c2ccncc2)c1
+,,,,,0.0,,,,,,,,,,,,CID2205503,Cc1ccc(SCCC(=O)NCCSCc2ccccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1298560,Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Br
+0.0,,,0.0,,,,0.0,,,,,,,,,,CID5308021,Cn1cccc1Cc1nnc(SCC(N)=O)n1-c1ccc(F)cc1
+,,,,,,,,,,0.0,,,,,,,CID1409689,COc1ccc(Cc2nnc(NC(=O)c3ccco3)s2)cc1
+,,,,,0.0,,,,,,,,,,,,CID646385,CC1CCN(c2ncccc2C(=O)O)CC1
+,,,,,,,,,,,,,,0.0,,,CID15945723,CCn1cc(C2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)c(C)n1
+,,,,,,,,,,,,,,0.0,,,CID1356260,COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)C(N)=O)cc1[N+](=O)[O-]
+,,0.0,,,,0.0,,,,,,,,,,,CID5308248,O=C(NCCCN1CCc2ccccc2C1)C1CCN(c2nnc(-n3cccc3)s2)CC1
+0.0,0.0,,,,,,0.0,,0.0,,,,,,0.0,,CID1292449,O=C(CSc1ncn(-c2ccccc2)n1)N1CCN(c2ccccc2)CC1
+,0.0,,,,,,,0.0,,,0.0,,,,0.0,,CID1630803,CCCNS(=O)(=O)c1ccc(NC(=O)c2ccccn2)cc1
+,,,,,,,,,,,,,0.0,,0.0,0.0,CID2834695,CCCC(=O)C1=C(Nc2ccccc2)CC(C)(C)C(C(=O)OC)C1=O
+,0.0,,0.0,,,,,,,,,,,,,,CID687903,CCN(CC)c1nc(C#N)nc(N(CC)CC)n1
+,,,,,,0.0,,,,,,,,,,0.0,CID752604,O=c1nc(C(F)(F)F)nc2ccccn12
+,,,,,0.0,,,,,,0.0,,,,,,CID5413612,O=C1Nc2ccccc2/C1=C/NN1CCCCC1
+,0.0,,,,0.0,,,,,,,,,,,,CID656052,Cc1ccc2cc(C#N)c(N3CCCN(C(=O)C4CCCO4)CC3)nc2c1
+,,,,,,,,,,0.0,,,,0.0,,,CID2179738,CN1C(=O)C(Cc2ccc3c(c2)OCO3)C(=O)N(C)C1=O
+,,,,,,,,,,,,,,0.0,,,CID3123018,Cc1nn(CC(=O)Nc2sc3c(c2C#N)CCC(C(C)(C)C)C3)c(C)c1[N+](=O)[O-]
+,,,,,,,,,,,,,0.0,,,,CID4622525,CC1CN(c2cc(=O)n(-c3ccc(Cl)cc3)c(=O)[nH]2)CC(C)O1
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID666213,CCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCC1=CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID2255241,COc1ccc(NC(=O)C(=O)NCc2ccco2)cc1OC
+,,,,,0.0,,,,,,0.0,,,,,,CID2789523,Cc1n[nH]c(=O)nc1NCCc1ccccc1
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID2953239,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccn3)CC2)cc1
+,,0.0,0.0,,0.0,,,,0.0,0.0,,0.0,,,0.0,,CID656037,Cc1nc(SCC(=O)c2ccccc2)n[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1481299,CCn1c(-c2nn(-c3ccc(C)cc3)ccc2=O)n[nH]c1=S
+,,,,,,0.0,,,0.0,0.0,,,,,,0.0,CID649429,O=C(NCc1ccco1)C(c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3710774,Cc1cccc(C(=O)Nc2oc(-c3ccccc3)cc2C#N)c1
+0.0,,,,,,,,,,,,,,,,,CID5307356,Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SC(C)C
+,,,0.0,,,,,0.0,,,,,,,,,CID2522654,COC(=O)c1ccc(CSc2nnc3c(Cl)cc(Cl)cn23)o1
+0.0,,,,,,0.0,,0.0,0.0,,0.0,,,,,,CID3237337,COc1cc(OC)cc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1
+,,,,,,,,,,,,,,0.0,,,CID714675,CCCn1nnc(NC(=O)c2cccnc2Cl)n1
+,,,,,,,,,,,0.0,0.0,,,,,CID3242148,O=C(Nc1ccc(F)cc1)c1cccc2c1C(=O)N(Cc1ccccn1)C2
+,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,CID783733,O=C(O)c1cccc2c1C(=O)N(C1CCCCC1)C2
+,,,,,,,,,,,,,,0.0,,,CID16192305,CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C1CCOCC1
+,,,,,,0.0,,,0.0,,0.0,,0.0,,,,CID306691,O=C(NC1CCCCC1)Sc1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID613157,CCCC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Br)CC2)c(F)c1
+0.0,,,,,,,,,,,,,,,,,CID5072231,CC(C)CCn1c(CN2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID648375,COc1ccc(-n2ncc3c(=O)n(CC(=O)OCc4ccccc4)cnc32)cc1
+,,,0.0,,,,,,,,,,,,,,CID589891,O=C(NCc1cn2ccccc2n1)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID3520029,CC1CC(C)CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2ncccn2)C1
+,,,,,,,,,,,,,,0.0,,,CID798035,Cc1cc(C(=O)Nc2cccc(C(=O)O)c2)c(C)o1
+,,,,,,,,,,,0.0,,,,,,CID2974838,CCOC(=O)C1=C(CN2CCc3ccccc32)NC(=O)NC1c1cc(C)ccc1C
+,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,,CID2831242,CC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1
+0.0,,,,,0.0,,,,,0.0,,,,,,,CID796895,O=C(Nc1cccc2ccccc12)N1CCN(Cc2ccccc2)CC1
+,0.0,,,,,,,,,,,,0.0,,0.0,,CID2212688,Cc1cc(C)nc(N/C(=N/Cc2ccc3c(c2)OCO3)NC(=O)Nc2ccccc2)n1
+0.0,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,CID653360,Cc1nc(NC(=O)CSc2nnnn2Cc2ccccc2)sc1C
+,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,CID2197105,O=C(O)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2735803,O=c1cc(Cl)c(-c2ccccc2)n[nH]1
+,,,,,,,,0.0,,,,,,,,0.0,CID1279745,O=C(NC1(C(F)(F)F)Oc2ccccc2O1)N1CCC2(CC1)OCCO2
+0.0,,,,,,,,,,,,,,,,,CID1045636,N#Cc1c(C(F)(F)F)cc(-c2ccccc2)nc1SCc1nc(N)nc(N2CCOCC2)n1
+,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID1009399,Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)o1
+,,0.0,,,0.0,,,0.0,,,,,,,,0.0,CID3241648,O=C(NCCN1CCCC1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
+,,,,,,,,,0.0,,,,,,,,CID3179221,COc1cccc(N(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NC(C)(C)C)c2cccs2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1152793,Cc1nnc(SCC(=O)N(C)C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID795634,COCC(=O)Nc1cc(Cl)ccc1C
+0.0,,,,,,,,,,,,,,,,0.0,CID138324,COc1cc(Br)c(CC(=O)O)cc1OC
+0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID650480,Nc1ccc2oc(-c3cccc4ccccc34)nc2c1
+,,,,,,,,,,0.0,0.0,,,,,,CID3627251,Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C
+0.0,,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID975110,Cc1cc(C(F)F)n2nc(C(=O)NCc3ccccc3F)nc2n1
+,,,,,,,0.0,,,,,,,,,,CID11957469,CC1CCCC=CC2CC(O)CC2(O)CC=CC(=O)O1
+,,,,,,,,,,,,,,0.0,,,CID3717514,O=C(O)CCCNS(=O)(=O)c1ccc2c(c1)OCCCO2
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID650067,Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N3CC(C)CC(C)C3)cc2)CC1
+,,0.0,0.0,,,,,,,0.0,,,,,,0.0,CID5310613,COc1ccc(CC(=O)C(C#N)=C2Nc3ccccc3N2)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID654309,CCC(c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
+,0.0,,,,,0.0,,,,,,,,,,,CID5771714,CC1Cc2cc(/C(O)=C3/C(=O)C(=O)N(Cc4ccco4)C3c3cccs3)ccc2O1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID2567816,COc1cc2nc(SCc3c(C)noc3C)n(CCC3=CCCCC3)c(=O)c2cc1OC
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID2910057,O=C1c2ccccc2S(=O)(=O)N1CC(O)COc1ccc(Br)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID1051383,Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C(C)C)c3nc12
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID651058,COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1
+0.0,0.0,,,,,0.0,,,,,,,,,,0.0,CID2973686,CCOC(=O)C1=C(Cn2cnc3ccccc32)NC(=O)NC1c1cc(C)ccc1C
+,,,,,,,,0.0,0.0,,,,,,,,CID1166019,COc1ccc(-c2nnc(SCC(=O)NCc3cccs3)n2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID5308337,CCCCCSc1nnc2c(n1)OC(C)N(C(C)=O)c1ccccc1-2
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID667185,Cc1ccc(NC(=O)CC2SCCNC2=O)cc1Cl
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID2332671,O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCCC1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID2954467,COc1cccc(NC(=O)COc2ccc(N3CC(C(=O)NCC(C)C)CC3=O)cc2)c1
+,,,,,,,,,,,,,,0.0,,0.0,CID2885047,COC(=O)C1=C(C)NC(=O)CC1c1cc(Br)ccc1F
+,,0.0,,,,,,,,,,,,,,,CID5389277,CN1/C(=C(\C#N)C(=O)CN2CCN(Cc3ccccc3)CC2)Nc2ccccc21
+0.0,,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2970485,Cc1c(C(=O)NC(C)CN2CCCCC2)oc2ccccc12
+,,,,,0.0,,,,,,,,,0.0,,,CID894908,Cc1ccc(CC(=O)N2CCN(c3ccccn3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16194232,Cc1cc(C)cc(NC(=O)COC(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2140494,CCOC(=S)N/C(=N\S(=O)(=O)c1ccccc1)c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID644643,CC1Oc2ccccc2N(Cc2ccccc2F)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2490875,Cc1cc(NC(=O)COC(=O)C(NS(=O)(=O)c2ccccc2)C(C)C)no1
+,,,,,0.0,,,,,,,,,,,,CID2966860,Cc1cccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1
+,0.0,,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,CID655548,COc1ccc(NC(=O)C2CCCN2C(=O)NC2CCCCC2)cc1OC
+,,,0.0,,,,0.0,0.0,,,,0.0,,0.0,,,CID1248135,COc1cccc2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)c(=O)oc12
+,,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,CID647738,COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1
+,,,,,,,,,,,0.0,,,,,,CID3227392,COc1cc2c(cc1OC)C(c1cc3cc4c(cc3[nH]c1=O)OCO4)N(C(=O)C1CC1)CC2
+,,0.0,,,,,,,,,,0.0,,,,,CID651574,Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCC3)N3CCOCC3)cc2c1
+,0.0,,,0.0,,,,,,,,,,,,,CID662965,COc1ccc(C2=Nn3c(nnc3-c3ccccc3OC)SC2)cc1OC
+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID721057,Cc1cc(N2CCOCC2)nc(NCc2ccccc2)n1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5308395,CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2ccco2)C3=O)cc1
+0.0,,0.0,,,,,,0.0,,,,0.0,,,,,CID2998729,O=C(COc1ccccc1Cl)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3696766,C/C(=N\Nc1cccc2cccnc12)c1ccc(C)cc1
+,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,,,CID3240912,Cc1c(C(=O)O)oc2ccc(S(=O)(=O)N3CCC(C)CC3)cc12
+,,,,,,0.0,,,,,,,,,,0.0,CID750580,Cc1ccc(-c2nnc(SCc3ccccc3F)o2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID891461,O=C(O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2Cl)c1
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0,CID3242344,Cn1cc(/C=N/n2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)c2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID5771340,COC1=CC=C/C(=C\Nc2cccnc2)C1=O
+,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID1244119,COc1ccccc1CNC(=O)c1ccoc1C
+,,,,,,,,,,,0.0,,,,,,CID647650,O=C(O)c1csc(Br)c1Br
+,,,,,0.0,,,,,,,,,,,,CID1291767,COc1cccc(-c2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)c1
+,,,,,,,,,0.0,,,,,,,,CID5891272,CCC(C(=O)O/N=C(\N)c1ccc(C)cc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID783433,O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc2ccccc2o1
+,0.0,,,,,,,,,,,0.0,,,,,CID3589929,COc1ccc2ccccc2c1CN1CCCC(CO)C1
+,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,,CID655849,COc1ccc(NC2=c3cccc(C)c3=NC2=O)cc1
+,,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID5308695,CCCN1C(=O)c2cc(C(=O)O)ccc2C1O
+,,0.0,0.0,,,0.0,,,,,,0.0,0.0,,0.0,,CID2998554,N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1101146,O=C(OCc1ccccc1)N1CCOCCN(C(=O)OCc2ccccc2)CCOCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2384573,Cc1cc(C)c(C2=CSC3=NS(=O)(=O)CCN23)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID762028,O=C(CSc1ncccn1)N/N=C/c1cccc([N+](=O)[O-])c1
+,,0.0,,,,0.0,,,,,,0.0,0.0,,,,CID2082388,Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID842991,Cc1ccc(OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c(C)c1
+,0.0,,,,,,,,,,0.0,0.0,0.0,,,,CID1842066,CCOC(=O)c1c2n(c3c(NCc4ccccc4)ncnc13)CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1011328,Cc1ccc(-c2nc3ccccc3c(C(=O)NCc3cccs3)c2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID1481936,CN(Cc1ccccc1)c1cc(Cl)nc(N)n1
+,,,,,0.0,,,,,,,,,,,,CID853783,C=CCN(CC=C)C(=S)Nc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID664026,COc1cc2c(cc1OC)-c1cc(NC3CCCCCC3)nc(=O)n1CC2
+,,,,0.0,0.0,,,,0.0,0.0,,,,,,,CID2320295,Cc1nn(-c2nc3ccccc3s2)c(N)c1Sc1ccc(F)cc1
+,,,,,,,,0.0,,,,,,,,,CID2913780,COc1ccc2c(c1)N(C(=O)CN1C(=O)C3CCCCC3C1=O)C(C)(C)C=C2C
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID2942877,O=C(O)c1cc(Cl)ccc1NC(=O)C1CCCO1
+,,,,,,,,0.0,,,0.0,,,,,,CID1431538,Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccc(S(=O)(=O)N3CCCCC3)cc2)c(C)c1
+,,,0.0,,,,,,,,,,,,,,CID2166864,CCCC(=O)NCCCCNC(=O)CCC
+,,,,,,,,,,,,,0.0,,,,CID2373294,CN(c1ccc(OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1)S(=O)(=O)c1cccs1
+,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,CID3241442,COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc3c(c2)OCO3)c(OC)c1
+,,,,,,,,0.0,,,,0.0,,,,,CID2911947,CCCCC(=O)Nc1cccc(NC(=O)CC)c1
+,,,,,,,,,,,0.0,,,,,,CID1048122,O=C(NC(=S)Nc1ccc(Cl)cn1)C(c1ccccc1)c1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID1970518,c1ccc(-c2ccccc2-c2nc(-c3ccncc3)no2)cc1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID760021,Cc1cc2c(C)cc(=O)oc2c2c1NCCC2
+,,,,,,,,,,,,,,,0.0,,CID654660,COC(=O)Cc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,0.0,,,CID875277,O=C(CCSc1ccccc1)Nc1ccccc1Br
+,,,0.0,,,,,,,,,0.0,,,,,CID658250,CC1CN(O)C2CCc3nonc3C12O
+,0.0,,,,,,,,0.0,,0.0,,,,,,CID973141,O=C(CSc1ncn[nH]1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,0.0,,,,CID866374,O=C(CCCn1c(=S)[nH]c2ccccc2c1=O)NC1CCCCC1
+0.0,,,0.0,,,,,,,,,,,,0.0,0.0,CID2081892,Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)on3)nc3ccccc3c2=O)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID2998945,O=S(=O)(c1ccc(F)cc1)N1CCN(CC(O)COCc2cccs2)CC1
+,,0.0,,,,,,,,,0.0,,,,,,CID1335317,Cc1c(/C=N/n2cnnc2)c2ccccc2n1CCOc1ccc(Cl)cc1
+,,,,,,,,,,,,0.0,,,,,CID5307497,CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1
+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID3240845,COc1ccc(C(CCc2ccc(C)o2)NC(=O)Nc2ccc(OC)cc2OC)cc1
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID666845,Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccc4)CC3)cc(C)nc21
+,,,,,,,,,,,,,0.0,,,,CID2454629,O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1cccs1
+,,,,,,0.0,,0.0,,,,,0.0,,0.0,,CID951628,CCOc1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID1454561,CCOc1ccc(N2C(=O)CN=C2Nc2ccccc2F)cc1
+,,,,,0.0,,,,,,,,,,,,CID2867189,COc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2cccc(Cl)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1249764,O=C(O)c1ccc(CSc2nnc(COc3ccccc3)o2)cc1
+,,,,,,0.0,,,,,,0.0,,0.0,0.0,0.0,CID654922,COC(=O)c1ccccc1S(=O)(=O)N1CCC(c2nc3ccccc3o2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID838548,Cc1cc(C)cc(NC(=O)CN(Cc2ccccc2)S(C)(=O)=O)c1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID664786,CCOC(=O)c1ccc(OCC(=O)c2ccc(O)cc2O)cc1
+,,,,,,,,,,,,,,0.0,,,CID313653,CCOC(=O)C1C(=O)NCC1c1ccccc1
+,,,,,0.0,,,,0.0,0.0,,,,0.0,,,CID921617,Cc1cccc(OCc2nnc(NC(=O)c3cccs3)s2)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID2165332,O=C(NCc1ccncc1)C(F)(F)C(F)(F)C(=O)NCc1ccncc1
+,,,,,,,,,,,0.0,,,,,,CID1304148,Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1)S(C)(=O)=O
+,,,,,,,,,,0.0,,,0.0,,,,CID1252931,CS(=O)(=O)Nc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID655851,Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccc(F)cc5)CC4)nc2-3)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3239724,Cc1c(C(=O)NCc2ccc3c(c2)OCO3)oc2ccc(S(=O)(=O)N3CCCCC3)cc12
+,,,,,,,,,0.0,,,,,,,,CID665245,CCOc1cc(C(=O)N(C)Cc2cc3cc(OC)ccc3[nH]c2=O)cc(OCC)c1OCC
+,,,,,,,,,,,,,,0.0,,,CID1158600,C=C(C)c1cccc(C(C)(C)NC(=O)NC2CC(C)(C)NC(C)(C)C2)c1
+0.0,,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID1247277,Cc1cc(CNC(=O)c2cc(Br)ccc2Cl)nn1C
+0.0,0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0,0.0,CID1639804,CCn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21
+,,,,0.0,,,,0.0,,,,,,,,,CID2116807,CC(C)(C)c1nnc2sc(SCC(=O)c3cccs3)nn2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2175947,CCC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1
+,,,,0.0,,,,,,,,,,,,,CID3245980,CC(CCc1ccccc1)NC(=O)c1cc2sccc2n1C
+0.0,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID2998201,CC1S/C(=C(\C#N)C(=O)NCc2ccco2)N(Cc2ccco2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID892293,S=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCCC1
+,,,,,,,0.0,,,,,,,,0.0,,CID663593,CCOc1nc(-c2ccc(OC)cc2)ccc1-c1noc(-c2cc(OC)c(OC)c(OC)c2)n1
+,,,,,,,,,,,,,,0.0,,,CID2147244,O=S(=O)(/N=C(/c1ccccc1Cl)N1CCOCC1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID286220,O=C(NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID843954,CCCc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)cs1
+,,0.0,,,,,,,,,,,,,,,CID1286190,CCCn1nnc(NC(=O)c2cccc(OCC(C)C)c2)n1
+,,0.0,,,,0.0,,0.0,,,,,,,0.0,,CID1244286,Cc1c(C(=O)N2CCC3(CC2)OCCO3)oc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2829370,CC(=O)N1N=C(c2ccccc2)CC1c1ccc([N+](=O)[O-])cc1
+,0.0,,,,,,,,,,,,,,,,CID2273339,COCCCNC(=O)CCSc1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5307858,Cn1cccc1Cc1nnc(SCC(=O)N2CCOCC2)n1CCc1ccccc1
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID2965660,O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccncc3)nc3ccc(Br)cc23)CC1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID654942,Cc1cc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)no1
+,,,,,,,,,,,,,,0.0,,,CID1256890,Cc1cc(NC(=O)c2nn3cccnc3c2Cl)no1
+,,,,,,,,,,,,,,0.0,,,CID4332654,CC(=O)c1ccc(NC(=S)N2c3ccccc3CC2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2104574,O=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CC1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID11741,Nc1cccc(S(=O)(=O)c2cccc(N)c2)c1
+,,,,,,,,0.0,,,,,,,,0.0,CID2998607,O=C(NC1CCS(=O)(=O)C1)c1ccc(-c2ccc(Br)cc2)o1
+0.0,,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID644906,O=C(CN(Cc1ccccc1F)C(=O)Cn1nnc(-c2cccs2)n1)NCC1CCCO1
+,0.0,,0.0,,,,,,,,,,,,,,CID661169,COc1cccc(C2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN(C)C)c1OC
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID963517,O=C(O)c1cccc(CSc2nnc(-c3ccco3)o2)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID656185,Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N)sc4c3)cc2s1
+0.0,,,,,,,,,,,,,,,,,CID1050485,CC(=O)Nc1cccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID694451,O=c1c2ccccc2nnn1CSc1ccc2ccccc2n1
+,,0.0,,,,,,,,,,,,,,0.0,CID1083226,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccco3)c2=N)cc1
+,,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID645298,COc1ccc(S(=O)(=O)N(CC(=O)N2CCN(C)CC2)C2CCCCC2)cc1OC
+0.0,,0.0,0.0,,,,,,,,,,0.0,,,,CID2998656,COc1ccc(N2CCN(C(=O)CC(NC(N)=O)c3cccc(Oc4ccccc4)c3)CC2)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2998344,O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCN1C(=O)CSC1=O
+,,0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,CID1076158,C=CCn1c(SCC(=O)c2cccs2)nc2sc(C)cc2c1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID2576482,Cc1ccccc1Nc1nc(N)nc(CSCc2c(C)noc2C)n1
+,,,,,,,,,,,,,,0.0,,,CID1819576,O=C1N=C(Nc2ccccc2)S/C1=C\c1cccn1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3285937,COCCNc1nc(N)c([N+](=O)[O-])c(NCC2CCCO2)n1
+,,,,,,,,,,0.0,,,,,,0.0,CID5310479,CC(C)c1ccc(NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID1313631,COc1ccc(-c2noc(-c3cc(Cl)ccc3Cl)n2)cc1OC
+,0.0,,,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,,,CID1216135,CCOc1cccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1
+,,,,0.0,,,,0.0,,,,,,,,,CID2952251,CCC(Sc1nnc(C)s1)C(=O)Nc1nccs1
+,,,,,0.0,,,,,,,,,,,,CID698891,Fc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,0.0,,0.0,,,,,,,,,,0.0,,,0.0,CID894095,O=C(O)c1ccc(COc2ccc(CO)cc2Cl)cc1
+,0.0,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,CID2101014,N#Cc1c2n(c(=S)n(-c3ccccn3)c1=O)CCCCC2
+,,,,,,,,,0.0,,,0.0,,0.0,0.0,,CID654328,O=C1CCCC(=O)C1=CNc1ccc2c(c1)oc1ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2127949,Cc1ccc(Nc2nc(COC(=O)COc3ccc(C=O)cc3)cs2)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID2867141,Cc1ccc(C2NC(=O)Cc3ccccc32)cc1
+,,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,CID3236255,COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)c1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID2846536,c1ccc(CCN2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID11948860,CSc1nncc(/C(C)=N/Nc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID808368,CC(=O)c1cnc2c(-c3cccc(Br)c3)cnn2c1C
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID665142,CSc1nc(N(CCO)CCO)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4
+,,,,,,,,0.0,,,,,,,,,CID890009,CCOc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1
+,,,,,0.0,,,,,,,,,,,,CID2266333,COc1ccccc1NC(=O)/C(=C\c1cccs1)NC(=O)c1ccc(C(C)(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID12005458,O=C1OC(OC(=O)c2ccccc2Br)C(N2CCOCC2)=C1Cl
+0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,,0.0,CID2236914,O=C(NCc1ccc2c(c1)OCO2)c1nn2cccnc2c1Cl
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID2229966,CCCCS(=O)(=O)Nc1ccc2c(c1)ncn2C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID754900,COc1ccc(-c2cc3[nH]cnc(=O)c3s2)cc1
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID1090685,COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1015220,Cc1cccc(OCC(=O)NC(=S)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1
+,,,,,,0.0,,0.0,,,,,,,,,CID5309754,COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c(OC)c1
+,,,,,0.0,,,,,,,,,0.0,,,CID2862239,CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1sccc1C
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID1071308,COC(=O)c1ccc(-n2nnnc2SCC(=O)N2CCCCC2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID2224815,CN(C)c1nc(N)nc(CSc2n[nH]c(-c3ccccc3)n2)n1
+,,,,,,,0.0,,,0.0,0.0,,,,,,CID650739,CCc1ccc2nc(N3CCN(C)CC3)c(C#N)cc2c1
+,0.0,,0.0,,,,,,,0.0,0.0,,0.0,0.0,,,CID73249,Cc1cc(C)nc(Nc2nc3ccccc3[nH]2)n1
+0.0,,,,,,,,,,0.0,,0.0,,,0.0,,CID2047470,Clc1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)c(Cl)c1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID651811,COC(=O)CNc1nc(C2CC2)nc2c1nnn2Cc1ccccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1353975,CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(F)cc1
+0.0,,,,,,,,,,,,,,,,,CID2998097,O=C(CN1C(=O)NC2(CCc3ccccc32)C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID644940,COc1ccc(N2CCN(C(=O)CSc3nnc4nc(C)cc(C)n34)CC2)cc1
+0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID3237073,CCOc1ccc(NC(=O)N2CCN(c3nc4ccccc4s3)CC2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID659283,COc1ccccc1-n1c(=O)c2c3c(sc2n2c(SC)nnc12)CCC3
+,,,,,,,,,,,,,,0.0,,,CID2539096,COC(=O)CCCNC(=O)c1ccc2[nH]c(C)c(C)c2c1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,,,CID2574206,Cn1nc(C(=O)NC2CCCCCC2)ccc1=O
+,,0.0,0.0,,,,,,,0.0,,,,,,,CID1266461,CC(C)Nc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2451383,COCCn1c(C)cc(/C=N/NC(=O)c2cccnc2)c1C
+,,,,,,,,,,,,0.0,,,,0.0,CID2055851,O=C(O)CCC(=O)CCC(=O)c1ccc(Cl)cc1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID2436700,O=C(CCNS(=O)(=O)c1ccccc1F)NCc1ccc2c(c1)OCO2
+0.0,,,0.0,,,0.0,,,,,,,0.0,,,,CID663415,CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID3240455,O=C(CCNC(=O)Cn1ccc2ccccc2c1=O)NCCN1CCN(c2cccc(Cl)c2)CC1
+,,0.0,0.0,,,,,,,,,0.0,0.0,,,,CID650841,Cc1cccc(C(OC(=O)c2ccco2)C(=O)NCc2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3717630,S=c1[nH]nc(-c2ccc(Cl)cc2)n1CC1CCCO1
+,,,,,,0.0,,,,,,0.0,,,,,CID646282,CCCOC1CCCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)C1
+,,0.0,,,,,1.0,,,,,0.0,,,,,CID667377,COc1ccc(C2=NOC3C(=O)N(c4ccc5c(c4)OCCO5)C(=O)C23)cc1OC
+,,,,,,,,,,0.0,0.0,,0.0,0.0,,,CID2246060,Oc1ccc(CNc2ccccc2O)cc1
+0.0,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,0.0,CID647434,COc1ccc(CC(=O)Nc2nncs2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2477465,Cc1cc(C(=O)COC(=O)c2cc(Cl)ccc2N)c(C)n1Cc1ccco1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID2997528,COc1ccccc1-n1cnnc1SC1CCOC1=O
+,,,,,0.0,,0.0,,,0.0,,0.0,,,,,CID3241380,O=C(CCn1c(=O)oc2ccccc21)N1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,0.0,,0.0,,0.0,,,,,CID2999691,CC(C(=O)OCc1nnc(-c2ccccc2)o1)N1C(=O)c2ccccc2C1=O
+,,,0.0,,,,,,,,,,,,,,CID2219623,CCn1c(=O)n(CCOC)c(=O)c2c3c(sc21)CCCC3
+,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,,,CID659949,Cc1nc(C(C)(C)O)n(-c2ccccc2)n1
+0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,0.0,0.0,CID700631,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID5220793,CCOC(=O)C(CC(C)C)NC(=O)C(Cc1ccccc1)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID1320686,Cc1ccc(NC(=O)CSc2nc(=O)c(Cc3ccccc3)c(C)[nH]2)cc1
+,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID3243245,COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccco1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID660834,COc1cc(S(=O)(=O)N2CCN(C)CC2)c(OC)cc1Br
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID3241654,CCN(CC)C(=O)CSc1ncnc2c1nnn2-c1ccc(OC)cc1
+,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,CID801282,Cn1ccnc1SCC(=O)Nc1ccc2ccccc2c1
+0.0,,,,,0.0,0.0,,,,,,,,,,,CID743276,O=C(c1ccccc1)N(Cc1ccccc1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2974245,COc1cc(OC)c(C2=NOC(C(=O)Nc3ccc4c(c3)OCO4)C2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID4101595,O=C(Nc1cccs1)Nc1ccc(F)cc1F
+,,,,,,,,,,,,0.0,,,,,CID3245284,O=C(CCS(=O)(=O)c1cccc2nonc12)NCCc1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,,CID1004815,O=C(c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2891779,O=C1c2cccc3cccc(c23)C(=O)N1CC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID753217,CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)[nH]n2c1=O
+0.0,,,0.0,,,0.0,,,,0.0,0.0,,,0.0,,0.0,CID661112,Cc1cccc(-n2c(CCCN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)n1
+0.0,,,,,,,,,,,,,,,,,CID666443,COc1ccc(C2=NOC3C(=O)N(c4ccc(C)cc4C)C(=O)C23)cc1OC
+0.0,,0.0,0.0,,,,,,,,,,0.0,,,0.0,CID2838527,CCOC(=O)C1CCCN(Cc2cccc(Cl)c2)C1
+,,,,,,,,,,,0.0,,,,,,CID839920,O=C(N/N=C/c1ccco1)c1ccc(Br)o1
+,,,,,0.0,,,,,,,,,,,0.0,CID659072,COc1ccc(CCn2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1OC
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID3244855,Cc1ccc(S(=O)(=O)c2n[nH]n3c2nc(=O)c2ccccc23)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID5389945,O=C1NC(=O)N(C2CCCCCC2)C(=O)/C1=C/NCC1CCCO1
+,,,,0.0,,,,0.0,0.0,0.0,,,,,,,CID2546975,CCCNC(=O)NC(=O)COC(=O)c1ccc(OC)c(S(=O)(=O)N2CCCc3ccccc32)c1
+,,,,,0.0,,,,,,,,,,,,CID3140438,Cc1ccc2sc(NC(=O)CSc3nc(C)cc(C)c3C#N)nc2c1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID775201,CCC(CC)NCc1ccc(OC)cc1OC
+0.0,,,,,,,,,,,,0.0,,,0.0,0.0,CID4296541,Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCC(=O)N2C(C)C)CC1
+,,,,,,,,,,,0.0,,,,,,CID702630,CCOC(=O)c1cnc2c(C)cccc2c1NCc1ccco1
+,,,,,0.0,,,,,,0.0,,,,,,CID2767589,CN(C)c1ccnc(-n2cccc2/C=N/OCc2cccc(F)c2)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID785767,Fc1ccc(CN2CCCCCCC2)cc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2105306,Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2C)n1
+,,,,,0.0,,,,,,,,0.0,,,,CID3841300,Cc1ccc(NC(=O)c2cn(-c3cccc(C)n3)cn2)cc1
+,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID2999861,CC(=O)c1cccc(NC(=O)CC2SC(N3CCCCC3)=NC2=O)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2356521,CCN(Cc1ccncc1)C(=O)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID2232943,O=C(c1ccc(-c2ccccc2)cc1)c1ccccc1C(=O)N1CCOCC1
+0.0,,,,0.0,,,0.0,0.0,,,,,,,0.0,,CID663291,Cc1ccccc1-c1nnc2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n12
+,,0.0,,0.0,0.0,,,,0.0,0.0,,,0.0,,,,CID660407,CCOC(=O)CSC1=C(C#N)C(=O)NC(c2ccc(OC)c(OC)c2)S1
+,,,,,,,,,,,,,0.0,0.0,,,CID842454,CCn1cc(CNC(=O)c2cccc([N+](=O)[O-])c2)cn1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID573225,Cn1nccc1C(=O)NCCN1C(=O)OC(C)(C)C1(C)O
+,,,,,,,,0.0,,,,0.0,,,,,CID3243671,NC(=O)Cn1c(=O)n(CCCC(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc21
+,,,0.0,,,,0.0,,,,,,,,,,CID5721730,CC(C)=CCC/C(C)=C/CN(CC(C)O)CC(C)O
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID1183299,COc1cc(NC(=O)c2cc3ccccc3o2)c(OC)cc1Br
+,,,,,0.0,,,0.0,,0.0,,,,0.0,,,CID1773611,COc1ccc(-c2ccc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCC4)n2)cc1
+0.0,0.0,,,,,,,,,,,,,0.0,,0.0,CID934923,Cc1nc2nc(Cc3ccccc3)[nH]n2c(=O)c1Cl
+,,,,,,,,,,,,,,0.0,,,CID5711434,CCOC1=C/C(=C/NNc2nc(=O)[nH]nc2C)C=CC1=O
+,,,,,0.0,,,,,,,,,,,,CID2848586,CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc21
+,,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,CID3236862,CCCN(CCC)CCCNC(=O)c1cc2cc3ccc(OC)cc3nc2o1
+,,0.0,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,CID977283,O=C(c1cc2ccccc2o1)N1CCCCCC1
+,0.0,0.0,,,,0.0,,,,,,,,0.0,0.0,,CID2894546,COC(=O)CSc1nc(N2CCCCC2)c2c(c1C#N)CCCC2
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID3245186,O=S(=O)(c1cccc2nsnc12)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2883734,O=C(NCCCNc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID651114,O=C(Nc1ccccc1)N(CCc1nc2ccccc2[nH]1)C1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID781494,Cc1nc2ccccc2n1CC(=O)N/N=C/c1cccs1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID738125,O=C(O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
+,,,0.0,,,,,0.0,0.0,,,,,,,0.0,CID828910,CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SCC1=O
+,,,,,0.0,,,,,,,,,,,,CID316274,CCOC(=O)c1cc(=O)cc(C(=O)OCC)o1
+,,,,,0.0,,,,,,,,,0.0,,,CID1086226,Cc1ccc(CSc2nc3c(cc2C#N)CCC3)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID2053107,CCn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID337612,COC(=O)c1c(C(=O)OC)c(-c2ccc(Cl)cc2)n2c1CCC2
+,,,,,,,,0.0,,,,,,,,,CID9551757,N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1F
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,,CID645971,CCC(C)NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID1456422,O=S(=O)(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2921022,CCCC(=O)NC(c1ccco1)c1cc([N+](=O)[O-])c2cccnc2c1O
+,,,,,,,,,,,,,,0.0,,,CID4062172,CC(=O)N1CCC(N(CCN2CCOCC2)C(=S)Nc2ccc(C)cc2C)CC1
+0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,,0.0,CID934677,Cc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2900989,CC(C)(C)NC(=S)NCc1ccco1
+,,,,,,,,,,,,,1.0,,,,CID278068,O=C1c2ccccc2C(=O)N1OS(=O)(=O)c1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID5310066,COc1ccc(-c2nc(CCNC(=O)c3ccco3)cs2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID982618,C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2scc(-c3ccc(F)cc3)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID698942,CCc1ccc(OCC(=O)Nc2ncn[nH]2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID3244117,CC(=O)OCC(=O)c1ccc2ccn(C(C)=O)c2c1
+,,,,,,,,,,,,,,0.0,,,CID3230382,O=C(NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1
+0.0,,,,,,0.0,,,,,0.0,0.0,,,,,CID748842,Cc1c(NC(=O)OCc2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID11835442,CC1(C)CC(O)CC(C)(C)N1CC(O)COCCOc1ccc(Br)cc1
+,,,,,,0.0,,,0.0,0.0,,,,,,,CID1520089,CC(C)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1
+,,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,,CID572680,CC(CC#CCN1CCOCC1)OCCC#N
+,0.0,,,,,,,,,0.0,,,,,,,CID666067,CC(C)CCNc1nc(N2CCCC2)c2c(c1C#N)CCN(C)C2
+,,,,,,,,,,,,,,0.0,,,CID3750683,Cc1cc(C)n(-c2nc3ccccc3c(=O)n2OCC(N)=O)n1
+,,,,,,,,,,,,,,0.0,,,CID803170,Cc1cc(NC(=O)c2cc3ccccc3oc2=O)no1
+,,,,,,,,0.0,,,0.0,,,,,,CID794391,CCOc1ccc(S(=O)(=O)Nc2ccccn2)c2ccccc12
+,,0.0,,,,0.0,,,,,,,,,,,CID1562711,CCCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1
+,,,0.0,0.0,,,,,,,,,,,,,CID1020319,Cc1cccc(C)c1-n1nnnc1SCSc1nnnn1-c1c(C)cccc1C
+,,,,,0.0,,,,,,,,,,,,CID2947980,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCC3CCCO3)cc2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID753206,O=C(c1csc2ccccc12)N1CCN(c2ccccn2)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID1428926,CCOc1cc(S(=O)(=O)NCc2ccc(OC)cc2)c(OCC)cc1-n1cnnn1
+,,,,,,,,,,0.0,,,,,,,CID2195245,c1ccc(OCCCc2nc(-c3ccncc3)no2)cc1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID714587,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccccn1
+0.0,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,CID648706,O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc(O)c1
+,,,,,,,,,,,,0.0,,,,,CID3241270,COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccc(C)cc2)c2cccnc2)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID5939915,COc1ccc(C2=C(Sc3ccc(C)cc3)c3ccc(OC)cc3S2=O)cc1
+,,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,0.0,CID644654,O=C(CSc1nnnn1Cc1ccccc1)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID5341791,CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2563771,Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)no1
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID853762,N#CCC(=O)Nc1ccccc1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID745665,Cc1c(NC(=O)Nc2ccccc2Cl)sc(=S)n1C
+,,,,,,,,,,,,,,0.0,,,CID2489490,Cc1c(C(=S)NC(=O)C2CC2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,0.0,,CID719643,CCCS(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1
+,,,,,,0.0,,,,,,,,0.0,,,CID5741316,CCN1C(=S)NN/C1=C1\C=Nc2ccccc21
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID659717,c1ccc(CN2CCN(c3ncnc4c3[nH]c3ccccc34)CC2)cc1
+0.0,,,,,0.0,,,,,0.0,0.0,0.0,,,,,CID658900,O=C1NCCN1C(=O)N(c1ccccc1)c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2883616,C=CCNC(=O)C1CC(=O)N(c2ccc(C)cc2)C1
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID654068,COc1cccc(-c2cc3nc(-c4ccccc4)cc(N4CCC5(CC4)OCCO5)n3n2)c1
+,,0.0,,,0.0,0.0,,,,,,,,,,,CID5414258,Cc1oc(N/C=C2\C(=O)C=Cc3ccccc32)c(C#N)c1C
+,,,,0.0,,,,,,,,,,,,,CID4293289,CC(C)CCOc1cccc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCCN2CCOCC2)c1
+,,,,,0.0,,,,,,,,,,,,CID1075619,COc1ccc2nc(SCC(=O)NCc3ccccc3)[nH]c2c1
+,,,0.0,,,,,,,,,,,,,,CID660415,C=CCOC(=O)C1=C(C)OC(N)=C(C#N)C12C(=O)N(CN1CCOCC1)c1ccccc12
+,,,,,,,,,,,,,0.0,,,,CID1042628,COC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1
+,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,,CID648153,CCOc1ccccc1NC(=O)N1CCCC1C(=O)Nc1nnc(CC)s1
+,,,0.0,,,,,,,,,,,,,,CID654367,Cc1nc(-n2cc(F)c(=O)[nH]c2=O)c2nc(C)oc2n1
+,0.0,,,,,,,0.0,0.0,0.0,,,,,,0.0,CID652856,CCCC(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
+,,,,,,,,,,0.0,,,,,,,CID666827,c1coc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1
+0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,CID652858,CC1Cc2ccccc2N1C(=O)CSc1nnc(CNc2ccccc2)o1
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID769201,CC(C)c1nnc(NC(=O)Cc2cccs2)s1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID660906,Cc1cccc(OCC(=O)N2CCC(N3CCOCC3)CC2)c1
+,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID1254267,COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(Cc2cccnc2)C3=O)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID3245137,Cc1cc(C)n(-c2nncn2/N=C/c2ccccc2F)n1
+,,,0.0,,,,,,,,0.0,,,,,,CID664783,COc1ccccc1-c1nc(C#N)c(NCc2ccc(F)cc2)o1
+,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,CID663233,Cc1ccc(OCC(=O)N(C)CCc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4219710,CCOc1ccc(NC(=O)CCCN2C(=S)NC(C)(C)CC2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2131642,Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2843365,COc1cc2c(cc1OC)C(C)N(C(=O)c1cc3ccccc3o1)CC2
+,,,,,,,,,,,,,0.0,,,,CID2110386,N#Cc1cc(C(=O)c2ccccc2O)cn(-c2ccc(Cl)cc2)c1=O
+,,,,,,0.0,,,,,,,,,,,CID5308502,O=C(Nc1ccc(F)cc1)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1
+0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,,,CID684324,Cc1cccc(C)c1NC(=O)CNc1ccccc1
+0.0,,0.0,,,,,,,0.0,,,,,,,0.0,CID3238604,CC(C)c1ccc(OCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1
+,,,,0.0,,,,,,,0.0,0.0,,,,,CID2997882,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)COc1cccc2cccnc12
+0.0,,,,,,,,0.0,0.0,,,0.0,,,,,CID1294294,O=C(c1ccccc1)c1ccc(N2CCOCC2)c(NC(=O)c2ccco2)c1
+,,,,,0.0,,,,,,,,,,0.0,,CID649695,Cn1c(CCCCCN)nc2ccccc21
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,CID3238925,CSc1ccccc1NC(=O)c1noc2c1CCC2
+0.0,,,,,0.0,0.0,0.0,,,,,,,,,,CID5307142,CCCc1cc(C(=O)Nc2cc(C)nn2-c2ccccc2)no1
+,,,,,0.0,,,,,,,,0.0,,,,CID2248403,O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccccc1)N/N=C/c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID4409,COc1ccc2cc(CCC(C)=O)ccc2c1
+,,0.0,0.0,,,,,,,,,,,,,,CID2998404,Cc1cc(C)n(-c2ccc(-n3ccnc3)nn2)n1
+,0.0,,,0.0,,,,,,,,,,,,,CID3243379,N#Cc1cnc(SCC(=O)Nc2ccccc2C(F)(F)F)nc1N
+,,,,,,,,,,,,,,,0.0,,CID2237315,CCOc1cc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc(OCC)c1OCC
+0.0,,,,0.0,,,,,,,0.0,,,,,,CID1045996,CCOc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)cc1OCC
+,,,,,,,,,,,,,,0.0,,,CID3220324,CC(C)(C)NC(=O)C(OC(=O)c1cccs1)c1ccccc1
+,,,,,0.0,0.0,,,,,,,,,,0.0,CID3241510,CN1CCN(CCCNC(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1
+,,,,,,,,0.0,,,,0.0,,,,,CID2998188,COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1487879,CN(C)C(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12
+,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,CID3238640,CCOc1ccc(-n2cc(C(=O)N3CCC(C)CC3)c3cc(OC)c(OC)cc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID827644,Nc1ccc(-n2cnc3cc([N+](=O)[O-])ccc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID7285276,COc1cc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)c(C(C)=O)cc1OC
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID2091469,Cc1onc(-c2ccccc2)c1C(=O)N1CCCS/C1=N\c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID748304,CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C
+,,,0.0,0.0,,,,,,,,,,,,0.0,CID648449,Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CCCC2)o1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID3240333,COc1ccc(S(=O)(=O)NC(CC(=O)NCc2ccccc2OC)c2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID645237,CCN(CC)Cc1cc2ccccc2c2c1COC2
+0.0,,0.0,,,,,,,,,,,,,,,CID5308686,Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)CC1
+,,,,,,,0.0,,,,,,,,,0.0,CID665146,Nc1n[nH]c(S(=O)(=O)CCCc2ccccc2)n1
+,,,,,,,,0.0,,,,0.0,,,,,CID1181768,O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(N2CCOCC2)cc1
+0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,0.0,CID3245485,Cc1cccc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1
+,,,,,0.0,,,,,,,,,,,,CID2262294,C=CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2Cl)SC1=S
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID5309365,O=C1c2ccccc2C(O)N1CCN1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID4571087,Cc1ccc(Cn2cc(SCC(=O)Nc3nccs3)c3ccccc32)cc1
+0.0,0.0,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,0.0,CID645322,CCOC(=O)N1CCN(C(=O)Nc2ccccc2Cl)CC1
+0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,0.0,CID2797974,CSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C
+,,,,,,,,,,,0.0,,,,,,CID2856903,O=C(N/N=C/C1C(c2ccccc2)C1(Cl)Cl)c1cccc(Br)c1
+,,,,,,,,,,0.0,,,,,,0.0,CID1026625,CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1
+,,,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,CID2251417,COc1ccc(CCNC=C2C(=O)CCCC2=O)cc1OC
+0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,,CID1314610,N#Cc1nc(-c2ccc(Cl)cc2)oc1NCc1cccc2c1OCO2
+,0.0,,,,,,0.0,,,,,0.0,,0.0,,,CID868804,COc1cccc(-c2cc(C(=O)Nn3cnnc3)c3ccccc3n2)c1
+,,,,,,,,,,,,,0.0,,,,CID2440604,Cc1nc(CC(=O)NNS(=O)(=O)c2ccc3ccccc3c2)cs1
+,,,0.0,,,,,,,,,0.0,,,,,CID787169,CCOc1cc(CN2CCN(C(=O)c3ccco3)CC2)ccc1OC
+,,,,0.0,,0.0,,,,,,,,,,,CID648711,COc1ccccc1CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID3237484,O=C(CN1C(=O)CSc2ccccc21)NC1CCCC1
+,0.0,,,,,0.0,0.0,0.0,,,,0.0,,,,0.0,CID665503,Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C
+,,,,,,,,0.0,,,,,0.0,,,,CID2467573,CC(C)n1cc(C(=O)c2cc(Br)ccc2O)cc(C#N)c1=O
+,,,,,,,0.0,0.0,0.0,,0.0,,,,,,CID646542,O=C(CN(CCc1ccccc1)C(=O)CN1C(=O)COc2ccccc21)NCc1ccco1
+,,,,,0.0,,,,0.0,,,,,,,,CID1895705,O=C1C=C(Nc2ccccc2O)c2ccccc2C1=O
+,,,,,,,,,0.0,,,,,,,,CID3107691,Cc1cc(Cl)ccc1OCC(=O)NCc1ccncc1
+,,,0.0,,,,0.0,,,,,,,,,,CID828806,COc1cccc(CN2CCN(C(=O)c3ccco3)CC2)c1OC
+,,,,,,,,,,,,,0.0,,,,CID4649064,Cc1c(C(=O)NCC2COc3ccccc3O2)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12
+,,,,,,,0.0,,,,,,,,,,CID3237604,CCC(=O)N1CCc2cc(OC)c(OC)cc2C1COc1ccc(C(=O)OC)cc1
+,,,,,,0.0,,,,,,,,,,,CID648852,O=C(O)c1n[nH]c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2305347,CN1/C(=C\C=C(C#N)C#N)C(C)(C)c2ccccc21
+0.0,0.0,0.0,,,,,,,,,,,0.0,,,,CID648865,CN(C)c1ccc(C(CC(=O)O)NC(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2084132,O=C(CSCc1ccccc1)Nc1ccc(Cl)cn1
+,,,,,0.0,,,,,0.0,,,,,,,CID2320541,Cc1c(NC(=S)/C=C2\N(C)c3ccccc3C2(C)C)c(=O)n(-c2ccccc2)n1C
+0.0,0.0,,0.0,,,,,,,,,0.0,,,,,CID700087,C=C(C)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1
+,,,,,0.0,0.0,,,,0.0,,,,,,,CID605535,COc1ccc(C2=C(C)CC(C)(C)NC2=O)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID3100708,CCCCCC1CC(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(=O)O1
+0.0,,,,,,,,,,,,,,,,,CID5309107,CC1CCN(C(=O)C(Cc2ccccc2)n2cccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4838964,COc1ccc(NC(=S)N(C)CC2COc3ccccc3O2)cc1
+,,,,,,,,,,0.0,0.0,0.0,,,,0.0,CID3239477,CCc1ccc(NC(=O)N(CCCN2CCOCC2)C(C)c2cc3cccc(OC)c3o2)cc1
+,,,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,CID732520,Cc1cccc(OCC(=O)Nc2ccc3c(c2)OCCO3)c1
+,,,,,,,,,,,,,0.0,,,,CID4336208,COC(=O)c1ccc(Oc2ccc3nncn3n2)cc1
+,,,,0.0,,,,,,,,,,,,,CID647809,O=S(=O)(NCCc1ccccc1F)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID16195765,C#Cc1ccc(C2C=C(C(=O)N3CCOCC3)OC(OCC)C2CCCO)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID645395,Cc1oc(C(C)(C)C)cc1C(=O)NCC(=O)NCC(=O)O
+,,,,,,,,,,,0.0,,,,,,CID1915086,COc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)c3ccccc23)cc1
+,,,,,0.0,,,,,,,,,,,,CID2768218,CO/N=C/c1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,0.0,,,,CID1996039,Cc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccco2)cc1
+0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID661700,Clc1ccc2[nH]c3c(NCCCN4CCOCC4)ncnc3c2c1
+,,,,,0.0,,,,,,0.0,,,,,,CID970459,COc1ccc(-c2c(C)nn(-c3ccccc3)c2N)cc1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID2999322,N#CC(C(=O)C1CCCCC1)c1nc2ccccc2[nH]1
+,,,,,0.0,,,,,,0.0,,,,,,CID3202578,COc1ccccc1CN(C(=O)Cc1cccs1)C(C(=O)NC1CCCC1)c1ccncc1
+,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,CID647106,Cc1sc(NC(=O)COc2cccc(-n3cnnn3)c2)c(C#N)c1C
+,,,,,0.0,,,,,,,,,,,,CID1242397,COc1cc(OC)cc(C(=O)NC(=S)NCCc2ccccc2)c1
+,,,,,,,,,,,,,,,0.0,,CID1504761,Cc1cc(=O)n(CC(C)C)c(O)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID1088164,COc1ccc(C(=O)c2oc3ccc(OC)cc3c2NC(C)=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID668252,COc1ccc(/C=C/C(=O)Nc2cc(C)ccc2C)cc1
+0.0,0.0,,,,,,,,0.0,,,,0.0,,0.0,,CID644910,CCCn1nnnc1SCC(=O)Nc1ccc(F)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,,CID649534,N#CCCn1c(-c2nonc2NC(=O)c2ccccc2Cl)nc2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID5389748,CCOc1ccccc1Oc1c(C)oc2c(CN3CCN(C)CC3)c(O)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID819828,O=C(CC(=O)NC1CCCCC1)N/N=C/c1cccc2ccccc12
+,,,0.0,,,,,,,0.0,,0.0,,,0.0,,CID649145,O=C(NC1CS(=O)(=O)CC1NCc1ccccc1)c1ccccc1
+0.0,,,,,0.0,,,,,,,0.0,,,,,CID662943,CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl
+0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,CID650971,O=S(=O)(c1ccc(-n2cnnn2)cc1)N(C1CCCCC1)C1CCCCC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2063176,COc1ccccc1NC(=O)COc1ccc(Br)cc1CO
+,,0.0,,,,0.0,,,,,,,,,,,CID5309496,CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID1484240,Cc1nnsc1C(=O)Nc1ccc(Cl)cc1Cl
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,CID2224723,Brc1cc2c(cc1COc1ccc(-c3nn[nH]n3)cc1)OCO2
+,,,,,0.0,,,,,,,,,0.0,,,CID1477555,O=C(Nc1ccnc(-c2cccnc2)n1)c1ccccc1Cl
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID946098,COC(=O)c1cc(Br)c(=O)n(CCN2CCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID888361,O=C(NCc1ccccc1Cl)c1ccc(Br)o1
+,,,,,0.0,,,,,0.0,0.0,,,,0.0,0.0,CID662804,CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID3220444,CC(C)C(=O)Nc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
+,,0.0,,,,0.0,,,,,,,,,,,CID3236597,O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCc2ccccc2C1
+,,,,,,,,,,0.0,,,,,,,CID1452213,Cc1nc(NC(=O)CSc2nnnn2C)sc1C
+,,,,,,,,,,,,,0.0,,,,CID824659,CCOc1ccnc(OCC)c1Br
+,,,,,,,,,,,,,,0.0,,,CID200367,CN1CCN(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC1
+,,,,,,0.0,,,,,,0.0,,,,,CID5878100,O=C1C(=O)N(CCOCCO)C(c2ccccn2)/C1=C(\O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2055149,Cc1cccc(CSc2nc(=O)c3c([nH]2)CCC3)c1
+,,,,0.0,,,,,,,,,,,0.0,,CID4122232,CC(C)CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID657663,N#Cc1c(NCCCO)nc(NCc2ccccc2)c2c1CCN(Cc1ccccc1)C2
+,0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,,CID2425419,Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID689970,O=C(CCl)Oc1ccc2occ(C(=O)c3cccs3)c2c1
+,,,,,0.0,,,,,,,,,,,,CID617208,COc1cccc(OCCNC(=O)c2cc(OC)c(OC)c(OC)c2)c1
+0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,,,CID663326,COc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1
+,,,0.0,,,,,,,,0.0,,,,,,CID5389067,O=C1/C(=C/NCCCn2ccnc2)C(c2ccccc2)=NN1c1nc2ccccc2s1
+,,,,,,,,,,,,,,0.0,,,CID16192002,CC(C)CCN1CCN(CC#Cc2ccccc2)CC1CCO
+,,,,,,,,,,,,,0.0,,,,CID2318093,Cc1ccc(S(=O)(=O)NC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID5310407,O=C(CSc1ccc2nnc(-c3ccncc3)n2n1)Nc1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,,,,,CID1357371,COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID3236336,CC12CC(NC(=O)N1c1cccc(C(=O)Nc3ncn[nH]3)c1)c1ccccc1O2
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID647186,COc1cc(NC(=O)Nc2ccccc2OC)c(OC)cc1NC(=O)CN1CCCCC1
+,,,,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID2998061,Cn1cccc1C(=O)NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12
+,,,,,,,,,,,,,,0.0,,,CID2454929,CC(=O)NCCNC(=O)CCNC(=O)c1ccc(Cl)cc1
+,,0.0,,0.0,,0.0,,,,,,,0.0,0.0,,,CID1277419,COC(=O)c1c(-c2cccs2)csc1NC(=O)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID4694948,CCOc1ccc(-n2cc(C(=O)Nc3cccc(OC)c3)c3cc(OC)c(OC)cc3c2=O)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID2999202,CC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O
+0.0,,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,CID2086004,Cn1nnnc1SCC(=O)Nc1ccccc1Cc1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID655060,Cn1c(=O)c2c(nc(SCC(=O)N3CCc4ccccc4C3)n2C)n(C)c1=O
+,,,,,,,,,0.0,,,,,,,,CID2956353,CCc1cc(C(=O)OC)c(NC(=O)CC2NCCNC2=O)s1
+0.0,,,,,0.0,,,,,,,0.0,,,,,CID663273,O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2
+,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,,,CID2999652,O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)C1CC(=O)N(Cc2ccco2)C1
+,,,,,,,,,,,,,,0.0,,,CID1737283,O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCOCC2)cc1
+0.0,,,,0.0,0.0,,,,,,,,0.0,,,,CID648938,CC1CCc2cc(F)ccc2N1C(=O)CSc1nnc(-c2cccs2)n1C
+,,,,,,0.0,,,,,,,,,,,CID5310830,C=CCOc1ccc(/C=C/C(C)=N/O)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2060509,CCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1cccs1
+0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID3240135,CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c2cccnc12
+,,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID650437,COC(=O)c1ccccc1S(=O)(=O)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID3240599,CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C(C)=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1838181,CCCCSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID3241427,Cc1ccc(CCNC(=O)C2CCN(C(=O)c3sccc3-n3cccc3)CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2100145,CC(C)C(NC(=O)c1ccco1)C(=O)OCC(=O)N1CCc2ccccc21
+0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,0.0,0.0,0.0,,CID892134,CCOC(=O)c1ccc(Nc2nc(C)cc(C)c2C#N)cc1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID682232,CCOC(=O)c1c(C)nc2cc(C)ccn12
+,,0.0,0.0,,0.0,,,,0.0,,,,,,,,CID2280229,CC(C)(C)SCCNS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID739985,CCOC(=O)C1CCN(CCC(=O)Nc2ccccc2)CC1
+,,,,,,,,,,0.0,,,,,,0.0,CID3239420,CCN(CC)c1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2764747,Cc1snc(S(=O)(=O)/C(C#N)=N/Nc2ccccc2)c1C#N
+,,,,,,,,,,0.0,,,0.0,,,,CID734088,CCOC(=O)c1cc(CC)sc1NC(=O)Cc1ccccc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2235829,CCOC(=O)N1CCN(Cc2nc(-c3cccc(C)c3)no2)CC1
+,,,,,,,,,,,,0.0,,,,,CID1542103,Cc1ccccc1N1CCN(c2ncnc3c2cnn3Cc2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID742063,CN(/N=C/c1ccncc1)C1=NS(=O)(=O)c2ccccc21
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID709733,COc1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3193322,CCOc1cc(NC(=O)c2ccccc2[N+](=O)[O-])c(OCC)cc1NC(=O)CC(C)C
+,,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,CID3240924,COc1ccc(C2C(C(=O)Nc3cccc(C)n3)c3ccccc3C(=O)N2C)cc1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID661932,Cc1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID3242316,CN(C)C(=O)c1ccc(COc2ccccc2Br)o1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID1303477,Cn1c(NCc2ccco2)nc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2C
+,0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,CID2997897,CC1CC(C)CN(CC(C)(C)NS(=O)(=O)c2ccccc2)C1
+0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,,,CID1241138,COc1ccc(CCNC(=O)c2c(-c3ccccc3)noc2C)cc1OC
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID3237237,O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCN(Cc2ccccc2)CC1
+0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID661669,COc1cc(-c2nn3c(-c4ccccc4)nnc3s2)cc(OC)c1OC
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID719200,CCOC(=O)c1c(N)nn(C(=O)CC)c1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2274983,CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)c1cccc(F)c1
+,,,,,,,,0.0,,,,,,,,,CID3243112,Cc1ccc(CCN2CC(C(=O)N3CCC4(CC3)OCCO4)CC2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID2493201,CCCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12
+0.0,,,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,CID649340,CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)O)CC1
+,,,,,,,,,,0.0,,,0.0,,0.0,,CID3828,COc1c2occc2c(OC)c2c(=O)cc(C)oc12
+,0.0,,0.0,,,,,0.0,,,0.0,,0.0,,0.0,,CID2302032,Cc1c(C(=O)Nn2cnnc2)oc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID3243206,Cn1c(C(=O)N2COCC2(C)C)cc2c(=O)n3ccccc3nc21
+,,,,0.0,,,,,0.0,,,,,,,,CID3236579,COc1cc(-c2nnc(SCC(=O)c3ccccc3)o2)cc(OC)c1OC
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2960858,O=C(OCc1cccc2ccccc12)C1CC(=O)N(c2ccccc2)C1
+,,,,,,,0.0,,,,,,1.0,,,,CID647599,Nc1cc(OC(=O)c2ccco2)nn1S(=O)(=O)c1ccc(F)cc1
+0.0,,,,,,,,,,,0.0,0.0,,,,0.0,CID753624,C=CCc1cccc(CNc2c(C)n(C)n(-c3ccccc3)c2=O)c1O
+,,,,,,,,,,,,,0.0,,,,CID801188,CC(=O)N(C)c1nc(N)n(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID4885256,CCCn1c(N)c(C(c2ccc(OC)cc2)N2CCN(c3ccccc3)CC2)c(=O)[nH]c1=O
+,,,,,,,0.0,,0.0,0.0,,0.0,,,,,CID655551,CCCCCn1c(SCCCC)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID1108134,Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)Nc2ccc(C)c(C)c2)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308353,O=C(c1ccc(CNc2c(N3CCCC3)c(=O)c2=O)cc1)N1CCc2ccccc2C1
+,0.0,,,,0.0,,0.0,,,,,,,,,,CID5307309,CN(CC(=O)N1CCCCCC1)S(=O)(=O)c1cccc2cccnc12
+,,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,CID2079190,CCn1nc(C(=O)OCC(=O)c2cc(C)n(Cc3cccs3)c2C)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,0.0,0.0,CID3241689,CN(CCNC(=O)CN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID878196,Cc1cc(C(=S)N2CCOCC2)c(C)n1-c1ccc(Cl)cc1
+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID2126228,COc1ccccc1-n1cnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,CID2843020,CC(C)(C)c1ccc(OCC(O)CS(=O)(=O)c2ccccn2)cc1
+,,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID663046,CCOC(=O)C(C)On1c(SC(C)C(=O)OCC)nc2ccccc2c1=O
+,,,,,,0.0,,,,,,,,,0.0,,CID748118,CCC(CC)C(=O)Nc1cc(OC)c(OC)cc1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1480806,COc1ccc(-c2cc(CNS(=O)(=O)c3ccccc3)on2)cc1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID648062,Cc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)c2csnn2)C2CC2)o1
+,0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,CID787271,O=C(c1ccncc1)N1CCN(C(=O)c2cccc3ccccc23)CC1
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID2355819,O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2948475,Cc1ccc(SCCC(=O)NCC2CCCO2)cc1
+,,,,,,0.0,,0.0,,,,0.0,,0.0,,,CID756649,COc1ccc(Nc2ncnc3nc[nH]c23)cc1OC
+0.0,,,,,,,,,,,,,,,,,CID3241168,COC(=O)C(C)n1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O
+0.0,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,,CID649899,CC(=O)c1cccc(-n2nnnc2SCC(=O)Nc2ccccc2N2CCCCC2)c1
+,,,,,,,,,,,,,,,0.0,,CID4890211,Cn1c(=O)c2c(nc(CN3CCN(Cc4ccccc4)CC3)n2Cc2cccc(Cl)c2)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1481763,COc1ccc(-c2cnn3c(N)c(S(=O)(=O)C(C)(C)C)cnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID4623844,CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)Cc1ccc(OC)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID5389509,CCC(NCc1ccc(F)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O
+0.0,,,,,0.0,,,,,,,0.0,,,,,CID3245758,Cc1cc(C(=O)N(C2CCCCC2)C2CCCCC2)no1
+,,,,,,,,,,,,,0.0,,,,CID1808634,CS(=O)(=O)N(CC(=O)N/N=C/c1ccco1)c1ccccc1Br
+,,,,,,,,0.0,,,,,,,,,CID2957113,CC(NC(=O)Nc1ccccc1C(F)(F)F)C1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID5346195,CCc1ccc(OCC(=O)NC2=CC(=O)/C(=C3\Nc4ccccc4S3)C=C2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1449973,CCc1ccc(NCc2cc3c(C)[nH]n(-c4ccccc4)c-3nc2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2151945,CCN1CCc2c(OCc3ccccc3)cccc2C1=O
+0.0,,,,0.0,,,0.0,,0.0,,,,,,,,CID2187762,CCCCN/C(N)=C(\C(=O)OCC)C(=O)c1ccc(OC)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID1084370,NC(=O)C1CCN(C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)CC1
+,,,,,,,,,0.0,0.0,,,,,,,CID978045,CCOc1cc(S(=O)(=O)NCc2ccccn2)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID3110502,C/C(=N\NC(=O)C(C)Sc1ccccc1)C(C)(C)C
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID665983,COc1cc(-c2nnc3sc(-c4ccncc4)nn23)cc(OC)c1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID2895954,CSc1nnc2c(n1)OC(c1cn(C)c3ccccc13)N(C(C)=O)c1ccccc1-2
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID742653,O=C(COc1ccc(Cl)cc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1315768,CCSc1nc2ccccc2n1C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID870497,Clc1ccccc1OCc1nc(-c2ccccn2)no1
+,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,CID2924610,Cc1cc(N2C(=O)CC(Cc3ccccc3)C2=O)no1
+,,,,,,,,,,,,,0.0,0.0,,,CID951612,Cc1ccccc1CNC(=O)Cc1ccccc1[N+](=O)[O-]
+,,,,0.0,,,,,,0.0,,,,,,,CID655189,COc1ccc(CN(C(=O)c2snc(C(N)=O)c2N)C(C(=O)NC(C)(C)C)c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1084412,O=C(NCc1ccco1)c1ccc(-c2ccc(Cl)cc2)o1
+,,0.0,0.0,,,,0.0,,,,,,,,0.0,,CID2997815,Cc1ccc(S(=O)(=O)N2Cc3ccccc3CC2C(=O)Nn2cnnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID6533414,C=CCC1=CC=C/C(=C\NNC(=O)C(C)Nc2cccc(C)c2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID900806,CCOc1cc(C(N)=O)cc(Br)c1OC
+,,,,,,,,0.0,,,,,,,,,CID651363,CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1ccc(C)o1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2370927,O=C(Nc1nnc(SCc2ccccc2)s1)c1ccco1
+,,,,0.0,,,,0.0,,,,,,,,,CID3242203,CCOC(=O)CCn1c2nc(C)cc(C)c2c(=O)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID551870,CCOC(=O)C(NC(=O)N(C)C)(Nc1sc(C)c(CC)c1C#N)C(F)(F)F
+,,,,0.0,,,,0.0,,,0.0,,,0.0,,,CID2968154,C=CCSc1nnc(NC(=O)CSc2nc(=O)cc(CCC)[nH]2)s1
+,,,,,,,,,,,,,0.0,,,,CID4387745,CCC(C)/C(C)=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
+,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,CID1377910,NS(=O)(=O)c1ccc(CNC(=O)C2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3374,CC1CCc2cc(F)cc3c(=O)c(C(=O)O)cn1c23
+,,,,,,,,,,0.0,,,,,,,CID885397,O=c1cc(O)n(-c2ccc(F)cc2)c(=S)[nH]1
+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,,CID2933136,O=C(NCCCn1ccnc1)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID675947,Cc1c(NC(=O)COc2ccc3ccccc3c2)cccc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID4405388,O=C(NC1CCCC1)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
+,,,,,,,,,,,,,0.0,,,,CID753911,CCOC(=O)c1oc2c(c1C)C(=O)CCC2
+,0.0,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID2169998,CCOC(=O)c1ccc(NC2=NC(=O)CS2)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID644470,CC1=C(C(=O)OCCOC(C)C)C(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1
+0.0,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0,CID1311013,COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC
+0.0,,,,0.0,0.0,,,,,,,,,,0.0,,CID4248069,Cn1nc(CC(=O)NC2CCCCCC2)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID2545743,CCOC(=O)c1sc(N)c(C#N)c1CSc1nc2ccc(C)cc2[nH]1
+,,0.0,,,,,0.0,,,,0.0,,0.0,0.0,,,CID877319,Cc1oc(C)c(C(=O)O)c1COc1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,,,,0.0,CID5771488,CCCCOC(=O)C1=C(C)N=C2N=CNN2C1c1cc(OC)ccc1OC
+,,,,,,,,,0.0,,,,,,,,CID3139007,CCN(CC)C(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID5309891,COc1ccc(C2CC(c3cccc(C)c3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2162831,Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3110826,CC1=CC(C)C2(CO)COC(c3ccc(O)cc3)C1C2C
+,,,,,,,,,,,,,0.0,,,,CID4875421,Cc1ccc(C(=O)C(C)N2C(=O)NC(C)(c3ccccc3)C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID4258341,CC1CC1C(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
+,,,,,,,,,,,,,,0.0,,,CID2110219,Cc1ccc(S(=O)(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)cc1
+,0.0,,,0.0,0.0,0.0,,,,,,,,,,,CID2330332,CN1C(c2ccc(F)cc2)=CS/C1=C(\C#N)c1nnc2n1-c1ccccc1SC2
+0.0,,,,0.0,,,,,,,,,,,,,CID3245652,O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)c1ccco1
+0.0,,,,0.0,,,,,,,,,,,,,CID3243800,COc1cc(C2NC(C(=O)O)CS2)ccc1OCc1ccccc1C#N
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID2216567,C/C=C/c1ccc(OCCCCN2C(=O)NC(C)(C)C2=O)c(OC)c1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID1541647,O=S(=O)(c1ccccc1)c1nc(Nc2ccccc2N2CCOCC2)sc1Cl
+0.0,,0.0,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,0.0,CID777756,CC(C)(C)C(=O)Nc1ccccc1C(=O)NCc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID1610018,Cn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)NCc1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID2767395,C=CCNc1nc(C)c(C(C)=O)cc1C#N
+0.0,0.0,,,,,,,,,,,,,,,,CID671564,Cc1cc(NC(=O)NC(=O)c2ccc(F)cc2F)n[nH]1
+,0.0,,,,,,,,,,0.0,,,,,,CID653766,Cc1cc(C)n(C(=O)c2ccc3c(c2)NC(=O)CO3)n1
+,,,,,,,,0.0,,,,,0.0,,,,CID2881140,CCC(CC)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
+,,,,,,,0.0,,,,,,,,,,CID5308020,Cc1cc(NC(=O)c2cc(C3CC3)on2)no1
+,0.0,,,,,0.0,0.0,,,,,,,0.0,,,CID884355,COC(=O)C1CCN(C(=O)Cc2ccc(OC)c(OC)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID798993,COC(=O)c1cc(NC(=O)c2ccc(F)cc2)cc(C(=O)OC)c1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID2921033,O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
+,,0.0,0.0,0.0,,,,,,,,,,,,,CID3244948,CCOC(=O)C1CCN(C(=O)CSCc2nc(-c3ccc(OCC)cc3)oc2C)CC1
+,,,,,,,0.0,0.0,,,,,,0.0,0.0,,CID767634,COc1cnn(-c2ccccc2)c(=O)c1N(C)C
+,,,,,,,,,,0.0,,,,,,,CID882543,Cc1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1
+0.0,,0.0,,,,,,,0.0,,,,0.0,0.0,,,CID662369,Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccco4)CC3)c3ccccc23)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID654589,CC(C)C(OC(=O)c1ccco1)C(=O)NC1CCCCC1
+0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID663327,Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccs1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID2102767,CNC(=O)COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2545985,CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3nc(C)sc3n2)c1
+,,,,,0.0,0.0,,,,,,,0.0,,,,CID663911,O=C(c1ccccc1)c1nc2ccccc2[nH]c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID434778,Cc1nc2sc3c(c2c(=N)n1N)CCCC3
+,,,,,,,,0.0,,,,,,,,,CID9550957,CC(C)(C)NS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc12
+,0.0,,,,,,,0.0,,,,0.0,,0.0,,,CID2846811,COc1ccc(C(C#N)C2(C)OCCO2)cc1OC
+,,,,0.0,0.0,,0.0,,,,,0.0,,,0.0,,CID4299391,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)cc(C)n3C)cc1
+0.0,,0.0,,,,,,,,,,,,,,,CID667239,CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)N(C)C)cc12
+,,,,,,,,,,,,,0.0,0.0,,,CID268208,CC(=O)Oc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1
+,,,,,,,,,,,,,0.0,,,,CID1477463,Cn1nc(-c2ccccc2)c(-c2nc(-c3ccc(Cl)cc3)no2)c1Cl
+,,,,,,,,,,,,0.0,,,,0.0,CID973774,CN(C)S(=O)(=O)N1CCN(C(=O)N2CCCCC2)CC1
+,,0.0,,,,0.0,,0.0,,0.0,0.0,0.0,,,,0.0,CID662873,CC(C)C(CCNC(=O)CN1C(=O)c2ccccc2C1=O)c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID1849071,COC(=O)Cc1cc(=O)n2[nH]c(C(F)(F)F)nc2n1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID3237202,Cc1n[nH]c(SCC(=O)Nc2nccs2)nc1=O
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2988813,COCCn1c(CN2CCN(C)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,0.0,,,,,,,,,,,,CID573385,CC(C)Oc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2312307,COC(=O)/C(C#N)=C/c1ccc(OC(=O)c2ccccn2)cc1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3245082,COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID803041,Cc1ccc(-c2n[nH]c(=S)n2-c2ccccc2)cc1
+0.0,0.0,,,,,,,0.0,,0.0,,0.0,,,,,CID868798,Cc1ccc(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)nc1
+,,0.0,,,,,,,,,,,,,,,CID3236914,CC1CCCC(NC(=O)c2ccc3c(=O)n(CC4CCCO4)c(=O)[nH]c3c2)C1C
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID5310870,C/C(=C\C(=O)c1ccncc1)Nc1ccccc1O
+,,,,,0.0,,,,,,,,,0.0,,,CID2911476,Cc1cc(-c2ccccc2)c2c3c(c(-c4ccccc4)n2n1)c(=O)n(C)c(=O)n3C
+,,,,,,,,,,0.0,,,,,,,CID800628,CCOC(=O)c1c(C)n(Cc2ccco2)c2c1cc(O)c1ccccc12
+,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID655036,CCOc1cc(CO)ccc1OCC(=O)N1CCCCC1
+,,0.0,,,,,,,,,,0.0,,,,,CID661863,COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1OC
+,,,,,0.0,,,,,,,,0.0,,,,CID712967,CCCC(=O)c1cc2c(cc1NC(=O)c1cccs1)OCCO2
+,0.0,,,,,,0.0,,,,,,,,,,CID5771425,N#CC1=C(N)OC2=C(CCC/C2=C/c2ccoc2)C1c1ccoc1
+,,,,,,,,,,,,,0.0,,,,CID2383141,S=c1[nH]nc(-c2cccs2)n1Cc1ccccc1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID834063,COc1ccccc1CNc1ccc(C(=O)O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2999787,O=C(O)c1ccc2c(c1)CC(c1ccccc1)OC2=O
+,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,,CID763921,Cn1c(CNc2ccccc2)nc2ccccc21
+0.0,,,0.0,,0.0,,,0.0,,,,,,,,,CID666164,CCOC(=O)c1oc2nc(C(C)C)c3c(c2c1N)CC(C)(C)OC3
+,,,,,0.0,,,,,,,,,,,,CID3820674,O=c1nc2n(c(O)c1C(c1ccc(O)cc1)c1c(O)n3c(nc1=O)SCC3)CCS2
+,,,,,,,,0.0,,,,,0.0,,,,CID2891848,CCOc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12
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+,,,0.0,,,,,,,,,,,,,,CID1088786,COc1cc(S(=O)(=O)NCCN2CCOCC2)c(OC)cc1Cl
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+,0.0,,,,,0.0,,,,,,,,,0.0,,CID676234,CCn1c(-c2ccc(F)cc2)n[nH]c1=S
+,,,,,0.0,,,,,,,,,,,,CID937623,N#CCN1CCN(CC(=O)Nc2cccc3ccccc23)CC1
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+,,,,,,,,,,,,,,0.0,,,CID895742,O=[N+]([O-])c1ccccc1/C=N/n1c(-c2cccnc2)n[nH]c1=S
+0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,0.0,CID654686,O=C(CSc1nnc(C2CCCCC2)o1)N1CCCCC1
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+,,,,,0.0,,,,,,,,,,,,CID2888394,CCCN1C(=O)c2ccccc2NC1c1ccc(OC)c(COc2ccc([N+](=O)[O-])cc2)c1
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+,,,,,,,,,,,,,0.0,,,,CID1815367,CCCCN1C(=O)/C(=C\c2ccco2)C(=O)N(CCc2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID4329797,O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
+,,,,,,,,,,,,,0.0,,,0.0,CID2376998,O=C(COC(=O)c1ccccn1)Nc1ncc(C(F)(F)F)cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID2891850,O=C(NC1Sc2ccccc2N=C1c1ccccc1)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID4859563,CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)CC2)=NC1c1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID3227057,CCc1ccccc1NC(=O)N1CCC(NC(=O)C(Cc2ccc(OC)c(OC)c2)NC(C)=O)CC1
+,,0.0,,,,,,,0.0,,,,,0.0,0.0,,CID873902,CC(=O)C(C(C)=O)=C(N)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID757687,CCOC(=O)c1sc(Nc2ccc(C)cc2C)nc1C
+,0.0,,,,,,0.0,0.0,,,,0.0,,,,,CID2908155,CCOC(=O)C1C(=O)NC(SCC(N)=O)=C(C#N)C1c1ccccc1OCC
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+,,,,,0.0,,,0.0,,,,,0.0,,,,CID735621,Cc1ccc(OC(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2574254,CCNC(=O)CSc1nc(-c2ccccc2)cs1
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+,,,,,,,,,0.0,,,,0.0,,,,CID1331752,CCC(=O)Nc1cc(Cl)ccc1C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID6235469,Cc1ccc(Cn2cc(/C=C/C(=O)O)c(-c3ccccc3)n2)cc1
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+0.0,,,,,,,,,,,,,,,,0.0,CID662416,CCOc1cccc(-c2nnc3sc(C4CCCCC4)nn23)c1
+,,,,,,,,,,,,,0.0,,,,CID2077592,Cc1cc(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)no1
+,,0.0,,,,,,,,0.0,,,,,,,CID3244961,COc1ccc(CCNc2oc(COc3ccccc3F)nc2C#N)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID2243268,O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Cl
+,,0.0,,,,,,,,,,,,,,,CID666672,O=c1oc2cc(OCc3nn[nH]n3)ccc2c2c1CCCC2
+,0.0,,,,,,,,,,,,,,0.0,,CID599120,CCc1c(C)[nH]c2ccccc2c1=O
+,,,,,,,,,,,,,,,,0.0,CID6398905,O=N/C(C(=O)NC1CCCCC1)=C1\C=CC=CN1
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+,,,0.0,,,,0.0,,,,,0.0,,,,,CID379086,c1ccc2c(c1)CCN2CCN1CCc2ccccc21
+0.0,,,,0.0,,,,0.0,,,0.0,,,,,,CID3237815,CCOC(=O)N1CCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)CC1
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID646306,COc1cc2cc(C(c3nnnn3C3CCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC
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+0.0,,0.0,,,,,,,,,,,,,,,CID3243799,Cc1cc(NCc2ccccc2Cl)n2nnnc2n1
+,,,,,,,,0.0,,,,,,,,0.0,CID3243210,O=C(CN1C(=O)C2(OCCO2)c2ccccc21)c1ccc(Br)cc1
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+,,,,,,,,0.0,0.0,,,,,,,0.0,CID3241891,CCCCC(=O)N(c1ccc(C)c(C)c1)C1C=CS(=O)(=O)C1
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+,,,,0.0,,,,,,,,,,,,,CID1907335,COCCNS(=O)(=O)c1ccc2c(c1)C(=O)c1cc(S(=O)(=O)NCCOC)ccc1-2
+,,,,,,,,,,,1.0,,,,,,CID1474967,N#Cc1cnn2c1nc(N1CCCCC1)c1ccccc12
+0.0,,,,,,,,,,0.0,,,,,,,CID3243835,Cc1c(C(=O)Nc2ccccc2Cl)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12
+,0.0,,0.0,,,,,,,,,,,,,,CID647229,COC(=O)c1nc(NC(C)=O)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID3244139,O=C(NCCC1=CCCCC1)C1CC(=O)N(C2CCCCC2)C1
+0.0,,,0.0,,,,0.0,,,,,,,,,0.0,CID2128431,Cc1noc(C)c1COC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID2211335,COc1ccc(NC(=O)NCCCN2CCCC2=O)c(OC)c1
+,,0.0,,,0.0,,,,,,,,,,,,CID5308815,Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1
+,,,,,,,,,,,,,,0.0,,,CID1420087,O=[N+]([O-])c1cccc(/C=N/c2cc3c(cc2Br)OCCO3)c1
+,,,,,0.0,,,,,,,,,,,,CID3242409,CC(=O)Nc1ccc(NC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID763137,O=C(NN=C1CCCC1)c1ccn[nH]1
+,,,,,0.0,,,,,,,,,,,,CID892830,Cc1ccsc1/C=N/n1c(-c2cccnc2)n[nH]c1=S
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID665080,Cc1cc(C)nc(Sc2nc(C)nc3c2oc2ccccc23)n1
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID3245112,CCCCCn1c(SCC#N)nc2cc(C(=O)NC3CCCCC3)ccc2c1=O
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID2952151,CSC1=C(C#N)C(c2ccc(C)cc2)C2=C(CCCC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID735999,CCOC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1
+,,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,CID872135,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)O
+,,,,,,,,,,,,,,,0.0,,CID3239838,O=C(c1ccc2nc3ccc(Cl)cc3c(=O)n2c1)N1CCC2(CC1)OCCO2
+,,,,,,,,0.0,,,,,,,,,CID865210,Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID859639,CCc1cc(C(=O)c2ccc(C)cc2)c(NC(=O)CCl)s1
+,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,,0.0,CID646704,COc1ccc2cc3c(N)c(C(=O)N4CCCC4)sc3nc2c1
+,,,,,,,,,,,,,0.0,,,,CID15944890,Cc1ccc(C(=O)Oc2coc(CSc3nnc(NC(=O)c4cccs4)s3)cc2=O)cc1C
+,,,,,0.0,,,,,0.0,,,,,,,CID3776315,CN1c2ccccc2Oc2c(c(=O)n(C)c(=O)n2C)C1c1cccc([N+](=O)[O-])c1
+,,,,0.0,,0.0,,,,,,,,,,,CID697901,O=S(=O)(Nc1cccnc1)c1cccc(C(F)(F)F)c1
+,0.0,,,,,0.0,,,,,,,,,,,CID768002,COc1ccc(C(=S)N(C)C)cc1OC
+,,0.0,,,,0.0,,,,,,,,,,,CID2998971,COc1ccc(C(CNC(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)N(C)C)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID5308865,O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2sccc2-n2cccc2)CC1
+,,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,,CID2594417,Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N3CCc4ccccc43)CC2)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID663265,CCOC(=O)C(C)(C)C(=O)C(C)(C)C(O)c1ccccn1
+,,,,,,,,,,0.0,,,,,,,CID3799671,CCCCCC(O)(CCCCC)C(=O)NNc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1365889,COc1ccc(OC)c(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID2155845,O=C(CSc1nnc(COc2ccccc2)o1)N1CCN(c2ccccc2)CC1
+,,,0.0,,,,0.0,0.0,,,,0.0,,,,,CID5310050,Cn1c(=O)c2c(SCC(=O)N3CCCc4ccccc43)nc(CC(C)(C)C)nc2n(C)c1=O
+,,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID654345,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3c4ccccc4CC3C)o2)cc1
+,,0.0,,,,,,0.0,,,0.0,,,,,,CID3241357,COC(=O)C1CCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2215909,CC1(C)NC(=O)N(CCCOc2ccccc2Br)C1=O
+0.0,,0.0,,,,,,,,,0.0,,,,,,CID666409,Cn1c(=O)n(C)c2cc(CNc3ccc(N4CCOCC4)c(C(=O)O)c3)ccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID1006841,COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)c1C
+,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,CID3243361,Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4111596,COc1cccc(/C=N/NC(=O)C(C)n2nnc3ccccc32)c1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,,0.0,CID1044988,Brc1ccccc1Cn1c(-c2cncs2)nc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID5346172,Cc1ccc2c(c1)N/C(=C1/C=CC(NC(=O)Cc3ccccc3)=CC1=O)O2
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID2907250,COC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OCc1ccccc1
+,,,,0.0,,,,0.0,,,,,,,,,CID1092315,O=S(=O)(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cccs1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID2231549,Cc1ccc(-c2nc(C)sc2CC(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID993519,CCOC(=O)N1CCN(c2nc(C)nc3c2cnn3CCc2ccccc2)CC1
+0.0,,0.0,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,CID646067,CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl
+0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,,,CID3245136,COc1cccc(C2=NOC(C(=O)Nc3cccnc3)C2)c1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2122975,O=c1c2ccccc2nnn1Cc1nnc(-c2ccccc2Br)o1
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID296188,COC(=O)C1=C(C)NC(=O)NC1c1ccccc1
+,,,,,,,,,,,,,,,,0.0,CID2997924,NC1=C(c2ccc(Br)cc2)C(=O)C2CCc3ccccc3N12
+0.0,,,,,,0.0,,0.0,,0.0,,,0.0,,,,CID2989653,C=CCn1c(SCCCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID654076,CCn1c(SCC(=O)Nc2nonc2C)nnc1-c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID12006141,Cc1ccc(CSc2ccc(-c3cccs3)nn2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID2312923,c1ccc2c(c1)C(=Nn1cnnc1)c1ccccc1-2
+,,,,,,,,,,,,,,0.0,,,CID2910413,Cc1cccc(NC(=S)N2CCN(C(=O)C3CCCO3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID842265,COc1cc(SC)ccc1C(=O)NCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1829152,CCOc1ccccc1OCCn1ncc2ccc(OC)c(OC)c2c1=O
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID751867,CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
+,,,,,,,,,0.0,,,,,,,,CID664275,CC(C)C(NC(=O)NCc1ccco1)C(=O)O
+,,,,0.0,,,,,,,,,,,,,CID1266459,c1csc(-c2ncc3ccccn23)c1
+0.0,,,,,,,,,,,,,,,,,CID4613936,CCOc1ccc(CCNC(=O)c2oc3c(c2C)-c2[nH]ncc2CC3)cc1OCC
+,,,,,,,,,0.0,,,,,0.0,,,CID2974148,O=C1C2CC=CCC2C(=O)N1c1ncn[nH]1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID1471543,CO/N=C(/CS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1
+,,,,,,,,0.0,,,,,,,,,CID3241228,CC(C)C(NS(=O)(=O)c1ccc(Br)s1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID763058,Nc1ccc2nc(CCc3ccccc3)[nH]c2c1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID645306,Cc1csc(SCC(=O)O)n1
+0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,,CID658912,COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1CCC(C)CC1
+0.0,0.0,,,,,,,,,,,,,,,,CID658577,Cn1ncc2[nH]cnc(=O)c21
+,,,,,,,,,,0.0,,,,,,,CID3137390,COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1C
+0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,CID866695,Cc1cccc(-n2ccnc2SCC(=O)Nc2nccs2)c1
+0.0,,,,0.0,0.0,,,,,,,,,,,,CID3245268,O=C(NCc1ccccc1Cl)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2397014,COC(=O)c1ccc(/C=N/NC(=S)NCCN2CCOCC2)cc1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID725402,CN1CCC(N(C)c2nc(-c3ccccc3)nc3ccccc23)CC1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID34312,NC(=O)N1c2ccccc2CC(=O)c2ccccc21
+,,,,,,,,0.0,,,,,0.0,,,,CID735034,O=C(O)COc1c(-c2ccccc2)oc2ccccc2c1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID1961577,Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID1088695,Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID3916279,COc1ccc(/C=N/Nc2snc(SC)c2C#N)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID948802,CC(C)CC(=O)N1CCC(N2CCN(c3ccccc3)CC2)CC1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID2196626,COCCn1c(-c2ccccc2F)n[nH]c1=S
+,,,,,,,,0.0,,,,,,,,,CID2210754,COCCNC(=O)c1ccccc1NS(=O)(=O)c1ccc(Br)s1
+,0.0,0.0,,0.0,,0.0,,,,,,,,,,,CID3237744,Cc1ccccc1-c1nc(CS(=O)CC(=O)NCCCN(C)c2ccccc2)c(C)o1
+0.0,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,0.0,,CID2666570,O=C(Nc1nccs1)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCCO3)CC1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,0.0,,,,,CID2999530,CCOc1ccccc1OCCCC(=O)Nc1ccc(OC)nc1
+0.0,,,,,,,,,,,,,,,,,CID2964469,O=C1c2ccccc2C(=O)N1CCC(c1ccc(F)cc1)c1ccco1
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID2116191,CC(=O)N1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1
+,,,,,0.0,,,,0.0,,,0.0,,,,,CID5389744,COC(=O)c1ccc(Oc2c(C)oc3c(CN4CCN(C)CC4)c(O)ccc3c2=O)cc1
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+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID944281,Cc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1
+,,,,,,,,,,,,,,0.0,,,CID2421840,Cc1cccc(NC(=O)COC(=O)c2cc3ccccc3oc2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1224519,CCc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1
+,,,,,,0.0,0.0,,0.0,,,,,,0.0,,CID3162379,CCCOc1ccccc1C1CC(=O)NC2=C1C(=O)CCC2
+,,,,,,,,,,,,,,,,0.0,CID802613,N#Cc1ccc(CSCC(=O)O)cc1
+0.0,,,,,,,,,,0.0,,,,,,,CID1255774,O=C(O)c1ccc2c(c1)C(=O)N(c1cc(C(=O)O)ccc1Br)C2=O
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+,,,,,,,,,0.0,,,,,,,,CID3393559,C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1C(NC(=O)c1ccccc1)C(C)C
+,,,,,,,,,,,0.0,,,,,,CID1005641,Cc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCC4)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID2838130,CCOC(=O)C1CCCN(Cc2ccccc2F)C1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID3241057,Cc1cccc(C)c1NC(=O)Cn1c(=O)n(CCC(=O)NCc2ccco2)c(=O)c2sccc21
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID2269417,NC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)OCCO2
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+,,,,,,,,,,,,,0.0,,,,CID888782,CCOC(=O)c1ccc(NC(=S)NCCc2ccccc2F)cc1
+0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,,CID1298574,O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)C1CCCCC1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID627025,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C)OC(C)C1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID661260,COc1ccc(-n2ncc3c(NCC(C)C)ncnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID2764693,CC(Oc1ccc(Cl)cc1)c1ccnn1S(C)(=O)=O
+,0.0,0.0,,,,,,,,,,,,,,,CID5742502,COc1ccccc1NC(=O)C(C)N1CCN(C/C=C/c2ccccc2)CC1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID891850,N#Cc1nc(-c2ccccc2F)oc1N1CCCC1
+0.0,,,,,0.0,,,,0.0,,,,,,0.0,0.0,CID2854561,C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID645669,O=C(CSc1nc(-c2ccncc2)nn1CC(=O)N1CCCCC1)NC1CCCC1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID648071,Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)NCc2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID789979,N#CC1=C(N)SC(N)=C(C#N)C1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1421204,Cc1cc([N+](=O)[O-])nn1Cn1nc([N+](=O)[O-])cc1C
+,,,,,,,,,,,,,0.0,,,,CID16189059,CCOc1ccc(CN2CCNC(=O)C2CC(=O)NCCc2ccccn2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID298474,CCOCc1cc(C)[nH]c(=O)c1C#N
+,0.0,,,,,,,,,,,,,,,0.0,CID1207332,O=C1CSC(Nc2ccccc2Cl)=N1
+,,,,,0.0,,,,,,,,,,,,CID3168398,Cc1ccc(CSc2nnc(-c3ccncc3)n2CC2CCCO2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3851973,COc1cccc(CNC(=O)C2(C)Oc3ccccc3NC2=O)c1
+,,,,,,,0.0,,,,,,,,,,CID2838078,CCOC(=O)C1CCCN(Cc2ccccc2OCC)C1
+,,,,,0.0,,,,,,,,,,0.0,,CID612356,CC(C)(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,,0.0,,,CID731845,CC(C)=CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
+,,,0.0,,,,0.0,,0.0,,,,,0.0,0.0,,CID618107,N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1cccnc1
+,,,,,,,,,0.0,0.0,,,,,,,CID870509,COc1ccc(COC(=O)NNC(=O)c2ccccc2Cl)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID2964418,COc1ccccc1N1CC(C(=O)Nc2cccc(C(=O)O)c2)CC1=O
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+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID692341,CCOC(=O)c1c(C)nn(Cc2ccccc2)c1N
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID1303386,Clc1ccccc1CSc1nnc(Cn2cnc3ccccc32)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1105833,N#Cc1c(-c2cccc(F)c2)cc(-c2ccccc2)nc1Br
+,,,,,,,,,,,,,,0.0,,,CID5345950,Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID717679,COc1ncnc2sc3c(c12)CCCC3
+,,,,,,,0.0,,,,,,,,,,CID5389247,CCc1nnc(N/C(O)=C2/C(=O)NC3=C(CCCC3)C2=O)s1
+0.0,,,,,,,,,,,,,,0.0,0.0,0.0,CID1209937,CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)c[nH]n2c1=O
+,,,,,,,,,,,,,0.0,,,,CID934111,O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c(C(=O)O)[nH]c2ccccc12
+,,0.0,,,,,,,,,,,,,0.0,,CID2557692,CCc1ccccc1NC(=O)CN(C)Cc1nc(N)nc(Nc2ccccc2C)n1
+,,,,,,,,,,,,,,0.0,,,CID2769968,O=C(O)C1CCCCN1S(=O)(=O)c1ccc2ccccc2c1
+,,,,,,,,,0.0,,0.0,,,,,,CID2331909,CCCCCN1CC(=O)C(c2ccccc2)=C1N
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3239124,O=C(c1csc2c1CCCC2)N1CCN(c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID16189932,CCOc1ccc(CN2CCN(Cc3cnc(N4CCOCC4)s3)CC2CCO)cc1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID652625,NC(=O)c1cc(N)ccc1N1CCCC1
+,,,,,,,,,,,0.0,,,,,,CID2473333,Cc1cc(C)cc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID2948513,Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2c(F)cccc2Cl)n(C)c1=O
+,,,,0.0,,,,,,,0.0,,,,,,CID652430,O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,0.0,CID2189264,Cc1ccc(S(=O)(=O)N(C)CCCC(=O)N2CCN(C=O)CC2)cc1
+0.0,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID665942,CCOc1ccc(-n2c(COc3ccccc3)nnc2SCC(N)=O)cc1
+,,1.0,,,,,0.0,,,,,,,,,,CID819343,Cc1cccc(-n2ncc3c(N4CCOCC4)ncnc32)c1
+,,,,,,,,,0.0,,,,,,,,CID2916481,O=C(O)C1CCC(N2C(=O)C3CCCCC3C2=O)CC1
+,0.0,,0.0,,,0.0,,,,,0.0,,,,,,CID566936,CN(C)c1nc2ccc(OCCN3CCCCC3)cc2s1
+,,,,,,,,,,,,,,0.0,,,CID3193147,CCCNC(=S)N1CCN(c2nc(C)nc3sc4c(c23)CCCC4)CC1
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID5309004,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cc(Cl)ccc2OC)cc1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID649177,Cc1nn(CC(=O)Nc2nnc(CC(=O)N3CCCC3)s2)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID5199583,C/C(=N\OCC(=O)NCC(F)(F)F)c1cc2ccccc2o1
+,,,,,,,,,,,,,,0.0,,,CID2080007,COc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)coc2c1
+,0.0,,,,,,,,,,,,,,,,CID5389455,COc1cccc(C2=CC(c3ccc(N(C)C)cc3)N3NC=NC3=N2)c1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID973781,CN(C)C(=O)Oc1ccc(OC(=O)c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID64798,O=C(O)CC(c1ccccc1)c1ccccc1
+,,,0.0,,,,0.0,,,,,0.0,,,0.0,,CID652300,Cc1ccc2nc3c(cc(C(=O)NCc4cccnc4)c(=N)n3C(C)C)c(=O)n2c1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID648436,Cn1c(=O)c2c(nc(CN3CCCCC3)n2CCCc2ccccc2)n(C)c1=O
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2490410,Cc1cc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)c2C)no1
+,,,,,,,0.0,,,,,0.0,,,,,CID3236383,CCOCCCNC(=O)C1CCN(S(=O)(=O)CC)CC1
+,,,,,,,,,,,,,0.0,,,,CID1479655,COc1ccc(Oc2c(Cl)cnn(-c3ccc(F)cc3)c2=O)cc1
+0.0,,,0.0,,,,,,,,0.0,0.0,,,,,CID663563,N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1N1CCOCC1
+,0.0,0.0,0.0,,,,,,0.0,,0.0,,0.0,,,0.0,CID780576,Cc1c(Cl)cccc1N1C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID1380292,COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID4137221,Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1
+,,,,,,,,,,,,,,,0.0,,CID755931,COc1ccccc1N1CCN(C(=O)c2cnn3cccnc23)CC1
+0.0,,,,,,,,,,,,,,,,,CID3238166,O=C(Nc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1)Nc1cccnc1
+0.0,0.0,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID4889592,COc1ccc(OC)c(C2CC(=O)N3CN(c4cccc(Cl)c4)CSC3=C2C#N)c1
+,,,,,,,,,,0.0,,0.0,,,,,CID657707,CCOC(=O)c1ccc(NC(=O)C(CC)(CC)C(=O)OCC)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID2998102,CC(NC(=O)Cn1nc(C(=O)O)c2ccccc2c1=O)c1ccccc1
+,,,0.0,,,0.0,,,,,,,,,,,CID3446,NCC1(CC(=O)O)CCCCC1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,CID781542,O=S(=O)(/C=C/c1ccccc1)n1cnc2ccccc21
+,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,CID651498,CCOC(=O)c1[nH]c(=O)[nH]c1CSc1ccccn1
+,,,,0.0,,,,,,,,,,,,,CID2910479,Cc1ccc(S(=O)(=O)N(c2cccc(C(F)(F)F)c2)C2C=CS(=O)(=O)C2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID5309944,COc1cc(C2N(c3cccc(Cl)c3)C(=O)C3CCCN32)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID1223663,Cc1ccc(NC(=O)CSc2nc(=O)cc(N)n2-c2ccccc2)cc1
+0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,CID664915,CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc2c(c1)OCCO2
+,,,,,0.0,,,,,,,,0.0,,,,CID871837,O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID2884181,COc1ccc(C(=O)CC(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID4278224,CCC(CC)C(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID765078,O=[N+]([O-])c1ccc(Cl)c(CN2CCSCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID3903422,C=CCn1c(C)cc(C(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)c1C
+,,,0.0,,,,,,,,,,,,,,CID1718638,CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1
+,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,CID878331,CC(=O)c1ccc(OC(C)C)c(CSc2nc(O)cc(=O)[nH]2)c1
+,,,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,CID3240535,CCC1Oc2ccccc2N(CC(=O)NCCC2=CCCCC2)C1=O
+,0.0,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID657896,CN(C)c1ccnc2sc3c(=O)n(Cc4ccccc4)cnc3c12
+,,,,,,0.0,,0.0,,0.0,,0.0,,,,,CID844353,CCc1ccccc1NC(=O)c1ccoc1C
+,,,,,,,,,,,,,0.0,,,,CID2549851,Cc1ccc(C(=O)OCC(=O)c2ccc[nH]2)s1
+,0.0,,,,,,,,,,,0.0,,,,,CID5336,Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,0.0,,CID5307312,COc1cccc(C2=NC3=NC(C)=C(C(N)=O)C(c4ccccc4Cl)N3N2)c1
+,,,,,,0.0,,0.0,0.0,,,,,,,0.0,CID935674,COc1ccc(Nc2nc(N)nc(C(F)(F)F)n2)c(OC)c1
+,,,,,,0.0,,,,,,,,,0.0,,CID2262188,COc1cccc(OC)c1OCCCCN1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID3136329,CCCCC(CC)C(=O)Nc1ncc([N+](=O)[O-])s1
+,,,,,,0.0,,,,0.0,0.0,,,,,,CID2909007,C#CCN1C(=O)C(O)(CC(=O)c2ccc(OC)c(OC)c2)c2ccccc21
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID667363,C=CCN1CC(c2nc3ccccc3n2Cc2ccccc2)CC1=O
+,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,CID3242483,CCC(=O)c1ccc(OCC(O)Cn2cnc3ccccc32)cc1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,CID649261,Cc1cnc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID16190476,COc1ccc(C(=O)C2CCCN(Cc3cnc(N4CCCC4)s3)C2)cc1OC
+,,,,,,,,,,,,,,,0.0,,CID3239141,COC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O
+,,,0.0,,,,,0.0,0.0,,,0.0,,,,,CID661337,COCCNc1oc(-c2ccc(C)cc2)nc1C#N
+,,,,,,,,,,,,,,0.0,,,CID1819935,Cc1ccccc1-c1nnc(SCCOc2ccc3c(C)cc(=O)oc3c2)o1
+,,,,,,,,0.0,,,,,,,,,CID6408790,Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)nn2)cc1
+,,0.0,,,,,,,,,,,,,,,CID3239914,COC(=O)C(C)Sc1ccc2nnc(-c3ccc(F)cc3)n2n1
+,,,,,0.0,,,,,0.0,0.0,0.0,,,,,CID662239,COc1ccc(CNc2oc(COc3ccccc3)nc2C#N)cc1
+,,,,,,,,,,,,,,,0.0,,CID655485,C1CCN(c2nc(N3CCCCC3)nc(N3CCNCC3)n2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2262054,COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)SC2=S)cc1
+,,,,,,,,0.0,,,,,,,,,CID891690,CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
+0.0,,,0.0,0.0,,,0.0,,,,,,,,,,CID2851813,CC(C)n1c(C(O)c2ccccc2)nc2ccccc21
+,0.0,,,,,,,,0.0,,,0.0,,,0.0,,CID941892,COc1ccccc1Nc1nc(N)nc(CN2CCCCCC2)n1
+,,,,,0.0,,,,,,,,,,,,CID732125,CCOC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCCC2
+0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,,,CID3245475,COc1ccc(-n2ccnc2SCC(=O)Nc2ccc(OC)cc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2235553,Cc1nn(CC(=O)Nc2ccc(C(C)C)cc2)c(C)c1[N+](=O)[O-]
+,,,,,,,,0.0,0.0,,,0.0,,0.0,,,CID657802,CC(=O)n1cc(C2C(=O)CCCC2=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2221714,O=C(Oc1ccc(Cl)cc1)c1ccc(COC(=O)c2cnccn2)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID1259390,O=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3
+,,,,,0.0,,,,,,0.0,,,,,,CID2767110,COc1cccc(-c2[nH]c(-c3ccccc3)nc(=O)c2C#N)c1
+,,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID650774,Cc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CS(=O)CC(=O)Nc1ccc2c(c1)OCO2
+,0.0,,0.0,,,,,,,,,,,,,,CID975822,O=C(Nc1ccccc1)N1CCn2c1nc1ccccc12
+,,0.0,,,,0.0,,,,0.0,,,,,,,CID2216206,COc1cccc(OC)c1OCCOCCn1cnc2ccccc2c1=O
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID3236737,CC(=O)N1CCCc2cc(S(=O)(=O)N(C)CCC#N)ccc21
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+,,,,,,,,,,,,,,0.0,,,CID1025062,Cc1nc(SCC(=O)Nc2ccc(F)cc2)c(C#N)c(C)c1CC(=O)c1ccc(Br)cc1
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+0.0,,,,,,,,,,,,,,,,,CID654692,Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2Cc2ccccc2)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID933633,Brc1ccccc1-c1nc(-c2ccccc2)no1
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+,0.0,,,,,,,,,,,,,0.0,,0.0,CID742132,C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C
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+,0.0,,,0.0,,,,,,,,,,,,,CID665603,COc1ccc2[nH]c(=S)[nH]c2c1
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+,0.0,,,,,,,,,,,,,,,0.0,CID2966075,O=C(c1c[nH]c2ccccc12)C(O)C(c1ccccc1)N1CCOCC1
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+,0.0,,,,,0.0,,,0.0,,,,,,,,CID647883,CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1
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+,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID2999421,CC1CCCCC12NC(=O)N(CC(=O)c1ccc[nH]1)C2=O
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+,0.0,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,CID847932,COC(=O)c1ccc(CSc2nnnn2Cc2ccccc2)cc1
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+,0.0,,,,,0.0,,,0.0,,,,,,,,CID5309010,CCN1CCN(C(=O)Cn2ncc3c2-c2ccccc2OC3)CC1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID666764,Cc1cc(Nc2ccc3c(c2)OCCO3)n2ncnc2n1
+,,0.0,,,,,,,0.0,,,,,0.0,,0.0,CID655204,Cc1ccc(-c2nnn(CC(=O)N(c3ccccc3)C(C(=O)NC3CCCC3)c3ccco3)n2)o1
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+,0.0,,,,,,0.0,,,,,,0.0,,,,CID658011,C=CCNc1sc(C(=O)C2CC2)c(N)c1C#N
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+0.0,,0.0,,,,,,0.0,,0.0,0.0,,,,,,CID2961388,O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCO1
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+0.0,,,,,,,,,,,,,,,,,CID5307759,CC(=O)N1CCC(N(CCN2CCOCC2)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1
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+,,,,,0.0,0.0,,,0.0,0.0,,,,,,,CID660843,COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCCC1
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID3616167,Cc1ccc2c(c1)NCC(C(=O)NC1CCC(C)CC1)O2
+0.0,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID649727,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCCC1)N1CCSCC1)OCCO3
+,,,,,,,,,0.0,,0.0,,,,,,CID3124631,Cc1ccc(Nc2c(N)c(=O)oc3ccccc23)cc1
+,,,,,,,0.0,,,,,0.0,,0.0,0.0,,CID2408586,CCOC(=O)c1cc(-c2cc3ccccc3o2)n[nH]1
+,,,,,,,,0.0,,0.0,,,,,,,CID12914,CCOC(=O)c1ccc(NC(=O)c2ccccc2)cc1
+,,,,0.0,0.0,,,0.0,0.0,,,0.0,,,0.0,,CID666260,CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccc(OC)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID1872273,Cc1cc(Nc2nc3ccccc3nc2Cl)n(-c2ccccc2)n1
+,,0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,CID651260,O=C(CCn1[nH]c(=O)c2ccccc2c1=O)OC1CCCCC1
+,,,,,,0.0,,,,,,,,,,,CID2946961,CCOC(=O)c1ccc(NC(=O)CC2COc3ccccc3O2)cc1
+,,,,,0.0,,,,,,,,,,,,CID739469,COc1ccc2oc(=O)c(C(=O)NCc3ccccc3)cc2c1
+,,,,,,,,,,0.0,,,,,,,CID3193666,CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1cccnc1)Cc1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID2472581,O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc([N+](=O)[O-])s1
+0.0,,,,,,,,,,,,,,,,0.0,CID3241373,Cc1cc(NC(=O)c2noc3c2CCCCC3)nn1Cc1ccc(Cl)cc1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID655497,O=C(c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1289753,CCc1nccn1C(=O)c1cnn2c(C(F)F)cc(-c3ccc(C)cc3)nc12
+,,,,0.0,,,,0.0,,,,,,,,,CID3243287,CCCCN1C(=O)CN(CCc2ccccc2)C(=O)C1c1ccc(OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID1257041,Cc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1
+,,,,,,,,,0.0,,,,,,,,CID3221446,COc1cccc2cc(C(=O)N(Cc3ccccc3)CC3CCCO3)c(=O)oc12
+,,,,,,,,,,,,,,,0.0,,CID3245319,CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2
+,,,,,,,,,,,,,,0.0,,,CID2909168,CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(C(C)C)C1=O
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID646793,O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID11958459,CCCCCC(=O)Nc1nc(C)c(-c2csc(Nc3ccccc3OC)n2)s1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID647751,CCCCC(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID653728,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)c3ccco3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5448126,O=C1C=CC(=C2NN=C(SCC(=O)c3ccccc3)N2Cc2ccco2)C=C1
+0.0,,,,,,,,,,,0.0,,,,,,CID2238621,COC(=O)c1ccccc1OC(=O)c1ccc(Br)o1
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID3241768,Cc1cc(O)c(C2(C(F)(F)F)NCCNC2=O)cc1C
+,,,,,,,,,,0.0,,,,,,,CID5061377,COC(=O)c1c2c(nc3ccccc13)CCC2
+,,,,,0.0,,,,,,,,,,,,CID808132,COC(=O)c1ccc(C)c(NC(=O)CCSc2ccccc2)c1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID645777,CCC(C)NC(=O)C1CCN(c2nc(C)cc(C)n2)CC1
+,0.0,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID685920,Cc1c(C(=O)N2CCCCC2)sc(N)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID1550300,O=C1/C(=C\c2cccnc2)CCc2ccccc21
+,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,CID970500,O=C(Oc1cccc2cccnc12)N1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID2925470,CCOC(=O)c1ccc(NC(=O)CN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2165605,COCCNC(=O)CCCC(=O)NCCOC
+,,,,,,,,,,0.0,0.0,,,,,,CID3161975,COc1ccc(CCn2c(N3CCOCC3)nc3c2c(=O)[nH]c(=O)n3C)cc1
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID559927,O=C(c1cccs1)c1coc2ccc(O)c(CN3CCOCC3)c12
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID3225001,CC(C)C1Oc2ccccc2N(CC(=O)N(Cc2ccncc2)Cc2ccco2)C1=O
+,,,0.0,,,,,,,,,,,,,0.0,CID2960374,Cn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1
+,0.0,,,,,,,,,,,,,,0.0,,CID3243545,Cc1ccc(-n2c(C)nc3c(cnn3-c3ccc(F)cc3)c2=O)cc1C
+,,,,,0.0,,,,,,,,,,,,CID6401155,Cc1ccc(-c2nnc(-n3nnc4ccccc43)c3ccccc23)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID3240323,COc1ccc(OC)c(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1
+,,,,,,,,,,,0.0,,,,,,CID697108,Cn1cccc1/C=N/NC(=O)Cn1cnc2ccccc21
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID2998981,c1coc(CSCc2cn3cccnc3n2)c1
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID2390996,O=C(OCCN1C(=O)c2ccccc2C1=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID5389193,CCCCCCN1C(=O)NC(=O)/C(=C\NCCCn2ccnc2)C1=O
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,,CID2998242,OC(COCc1ccco1)CN1CCN(C(c2ccccc2)c2ccccc2)CC1
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,,CID2833075,CC1(C)CC(C#N)(N2CCOCC2)CCO1
+0.0,0.0,,0.0,0.0,,,,0.0,,,,,,,,,CID798544,Cc1cc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)no1
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+,,,,,,,,,,,,,,,,0.0,CID5389131,CC/C(=C\C(=O)c1cccnc1)Nc1ccc(C)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID910578,COc1nc(-c2ccccc2)c2c(c1C#N)CC(C)(C)OC2
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+,,,0.0,0.0,,,,,,,,,,,,,CID973016,Oc1ccc(-c2csc(Nc3cccnc3)n2)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3236804,CCCS(=O)(=O)N1CCCC(C(=O)NCCCN(Cc2ccccc2)C(C)C)C1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID1817985,CCCCn1nnnc1NCc1ccc(N2CCCC2)cc1
+,,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID2149633,CCCCSc1nc(=O)c(NC(=O)c2ccco2)c(N)[nH]1
+,0.0,,0.0,,,,0.0,0.0,,,0.0,,0.0,,,,CID660181,CCCCOc1ccc(C(=O)Nn2cnnc2)cc1
+,,,0.0,,,0.0,,0.0,,0.0,,,,,,,CID2575543,O=C(CSc1nc2ccccc2c(=O)n1CCCO)NCc1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID625459,CC(=O)c1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
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+,,,,,,,,,,0.0,,,,,,,CID2901784,Cc1c(NC(C)c2ccccc2O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,,,,,,,,,CID1106516,O=C(CN1CCOCC1)Nc1ccc(Br)cc1C(=O)c1ccccc1
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+,,,,,,,,,,0.0,,,,,,,CID2210570,C=CCNC(=S)NNC(=O)c1ccc(OC(C)C)cc1
+,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID2570643,Cc1ccc2c(CC(=O)OCc3nc(N)nc(Nc4ccccc4C)n3)coc2c1
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+,0.0,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID307028,O=C(Nc1nccs1)NC1CCCCC1
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+,,,,,,,,,,,,,0.0,,,,CID824964,O=C1C=C([O-])N2CCC[N+]3=C2N1CCC3
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+,,,,,,,,,,,,,0.0,,,,CID16195471,COc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(NC(C)=O)cc3)CC2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2837842,CCOC(=O)C1CCCN(Cc2cc(Br)c(OC)cc2OC)C1
+,,,,,,,,0.0,,,,,,,,0.0,CID2268959,CC(=O)N(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
+,0.0,,0.0,,0.0,,,,,,,,1.0,,,,CID653862,COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID4174292,CCc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O
+,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID705143,Cc1cc(C)nc(SC2=CS(=O)(=O)c3ccccc32)n1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308028,COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID3149564,CCCCN1C(=O)CC(Sc2ccccc2C(=O)O)C1=O
+,,,,,,,,0.0,,,,,,,,,CID2470083,Cc1ccc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccco1
+,,,,0.0,,,0.0,,,,,0.0,,,0.0,,CID3240487,Cc1ccc2cc3cc(C(=O)NCCC(C)C)oc3nc2c1
+,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,CID2507305,COc1ccc(CNC(=O)CSc2nnc(C)s2)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID667298,CCc1nc(OCCN(C)C)c2oc3ccccc3c2n1
+,,,,,,,,,,,,0.0,,,,0.0,CID5309221,COc1ccc(NC(=O)N(Cc2cccnc2)Cc2ccccc2Cl)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2288744,Cc1[nH]c(=O)[nH]c(=O)c1CSCC(=O)OCC(=O)c1ccc(Br)cc1
+,0.0,,,,,0.0,0.0,,,,0.0,,,,,,CID1606723,COCCCNc1ncnc2c1cnn2-c1ccc(C)cc1C
+,,,,,,,,,,,,,0.0,,,,CID804363,Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID3244315,COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1
+,,,,,,,,,0.0,,0.0,,,,,,CID955329,CCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,,CID1261124,CCOC(=O)c1cc(-c2nnc(-c3ccc(Oc4ccccc4)cc3)o2)c(C)nc1C
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+0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,0.0,CID2677622,Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCOCC2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID2251286,COC(=O)/C(=C/c1c[nH]c2ccccc12)[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID3665290,CCNC(=O)NC(=O)C(C)OC(=O)c1ccc(SC)cc1OC
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID881644,C=C(C)Cn1c(-c2ccccc2)nc2ccccc21
+,,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID1529409,COc1cc(CN2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC
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+,,,,,0.0,,,,,,,,,,,,CID1086288,COc1ccc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)cc1OC
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,,CID1247265,CCSc1nnc(NC(=O)c2cc(C)oc2C)s1
+,,,0.0,,,,,,,,0.0,,,,,,CID35697,Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O
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+,,,,,,,,,,,,,0.0,0.0,,,CID2133649,CCN1C(=O)CS/C1=N/S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID972421,Cc1ccc(Nc2nc(-c3cccs3)cs2)nc1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID647465,COc1cc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2)ccc1-n1cnnn1
+,,,,0.0,,,,,,0.0,,,,,,,CID648544,CC1(C)CC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1
+,,,,,,,,,,,,,,0.0,,,CID961916,Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C)ccc2C)cc1C
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID650276,CC(C)Nc1c(N)c(=O)oc2ccccc12
+,0.0,,,,,,,,0.0,,,,,,,,CID660442,CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1287305,Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c1C
+,,,,,0.0,,,,,0.0,,,,,,,CID9550262,Cc1csc(NC(=O)CCSCCc2ccccn2)n1
+0.0,,,,,,,,0.0,,,,,,,,,CID2517024,O=C(CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1)c1ccccc1F
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID2870544,N#CCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID1359190,Cc1ccc(OCC(=O)N2CCN(C(=O)Cc3ccccc3)CC2)cc1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID658678,C/C(NCC(C)(C)CN(C)C)=C(/C#N)C(=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID793387,CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1NC(C)=O
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID786020,Cc1csc(NC(=O)c2ccco2)n1
+,,,0.0,,,,,0.0,,,0.0,,,,,,CID3238866,Cc1cc(NC(=O)c2cnc3ccccn3c2=O)no1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID3242217,CC12CC(NC(=O)N1c1ccc(C(=O)N3CCN(c4ccccn4)CC3)cc1)c1ccccc1O2
+,,,,,,0.0,,0.0,,0.0,0.0,,,,,,CID800496,O=C(NCc1ccco1)c1ccc(CN2CCOCC2)cc1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID878069,CCCC(=O)Nc1ccc(N2CCCCC2)cc1
+,,0.0,,,0.0,,,,,,,,,,,,CID3245468,Cc1ccc(Cn2c(=O)cc(C(=O)O)c3ccccc32)cc1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID663984,Cc1nc(NC(Cc2c[nH]c3ccccc23)C(=O)O)c2oc3ccccc3c2n1
+,,,,,,,,,,,0.0,,,,,,CID2767969,C/C(=N\OC(=O)c1cccc(C(F)(F)F)c1)c1sc(-c2ccccc2)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2271390,COc1ccc(Cl)cc1C(=O)NCC#N
+0.0,,,0.0,,,,,,,,,,,,,,CID3240019,CS(=O)(=O)N1CCCC(C(=O)NCCCN2CCC(Cc3ccccc3)CC2)C1
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID662856,CCOc1ccc(Cl)cc1CSc1n[nH]c(CC)n1
+,,,,,,,,,0.0,,,,0.0,,,,CID850111,CCOc1cc(S(=O)(=O)Nc2ccc(CC)cc2)ccc1Cl
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+,0.0,0.0,0.0,,,,,,,,,,,,,,CID665314,Cc1nc(N2CCN(c3ncccn3)CC2)c2oc3ccccc3c2n1
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+,0.0,0.0,,,0.0,,,,0.0,0.0,,0.0,,,,0.0,CID653326,Cc1cc(NC(=O)CSc2nnc3c(C)cc4cc5c(cc4n23)OCO5)no1
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+,0.0,,,0.0,,,,,,,,,,,,0.0,CID1287458,N#Cc1nc(COc2ccccc2)oc1N1CCN(c2cccc(Cl)c2)CC1
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+,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID654404,CCOc1ccccc1NC(=O)COc1cccc(-n2cnnn2)c1
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+,0.0,0.0,,,,,,,,,,0.0,,,,,CID649157,CCNc1nc(OC)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1
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+,0.0,,,,,0.0,,0.0,,,,,,,0.0,,CID665002,CC(C)=C(NC(=O)c1ccco1)C(=O)NCCc1nc2ccccc2[nH]1
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+,,,,,,,,,,,,,,0.0,,,CID1486073,CCOC(=O)Cc1nc(-c2ccccc2)n[nH]1
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+,,,,,,,0.0,,,,,,,,,,CID5307126,CC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID660130,COc1cc(-c2c(C#N)c(N)nc(SCc3ccncc3)c2C#N)cc(OC)c1OC
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+,,0.0,,,,,,,,,,0.0,,,,,CID1603379,N#Cc1cc2c([nH]c1=S)CCCCCC2
+,,,,,,,,,,,,,0.0,,,,CID971432,S=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,,,0.0,,,,,CID665207,CCOC(=O)C1CCN(CC(=O)Nc2c(C(=O)OC)[nH]c3cccc(C)c23)CC1
+,0.0,,0.0,,,,,0.0,,0.0,,,,0.0,,,CID663785,N#Cc1nc(-c2ccco2)oc1NCCCN1CCOCC1
+,,,0.0,,,,,,,,,,,,,0.0,CID3244571,CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCN(C)CC3)c(=O)c3ccccc23)CC1
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID758250,CCOC(=O)c1cc(C)n(-n2cnnc2)c1C
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+,,,,,0.0,,,,,,,,,,,,CID9541908,O=S(=O)(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccc(-c2ccccc2)cc1
+,0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,CID1258280,Cc1ccccc1NC(=O)CSc1nc(Nc2ccccc2)nc(N2CCOCC2)n1
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+,0.0,,0.0,,,,,,,,,,,,,,CID2772428,Cc1cc(C)nc(SC(C)C(=O)O)n1
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID650114,COc1ccc(N2C(=O)C(Cl)=C(N(CCO)Cc3ccccc3)C2=O)cc1
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+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID652123,COc1ccc2cc(CN(C(=O)Nc3ccccc3)C3CCCC3)c(=O)[nH]c2c1
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+,,,,,,,,,0.0,,,,,,,0.0,CID1068515,COc1ccc(Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1
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+,0.0,,0.0,,,,,,,,,,,,0.0,,CID651616,CC(=O)OC(C(=O)NC1CCCCC1)c1ccc(C)cc1
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+,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,,,CID2115140,Cn1c(SCCS(=O)(=O)c2ccc(Cl)cc2)nnc1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3473932,O=C1c2ccccc2NC(c2cccc(O)c2)N1c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID651874,CCCNS(=O)(=O)c1ccc(CCC(=O)N2CCCCC2)cc1
+,,0.0,,0.0,,,,0.0,,,0.0,,,,,0.0,CID3238476,Cc1ccccc1-n1nc2c(c1NC(=O)c1c(-c3ccccc3Cl)noc1C)CS(=O)(=O)C2
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID2712691,Cc1c(C(=O)NCCCN2CCCC2=O)oc2ccccc12
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID665236,CCc1nc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2oc3ccccc3c2n1
+,,,,,,,,,,,0.0,,,,,,CID11841944,COc1ccc(-c2noc(C(C)n3nc(C)c([N+](=O)[O-])c3C)n2)cc1OC
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,CID654567,Cn1c(Cn2cnc3ccccc32)nnc1SCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID6082067,O=C(COC(=O)/C=C/c1ccco1)NCc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,,CID3242033,O=C(NCC1COc2ccccc2O1)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O
+,0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,CID2843982,CCC(C)c1c(O)nc(SCC(=O)c2ccccc2)[nH]c1=O
+,0.0,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,CID3239387,CCC(C)N1CC(C(=O)NC2CCCCC2)CC1=O
+,,,,,,,,,,,,0.0,,,,,CID5390063,O=C1C=CC=C/C1=C1\NNC2=C1C(c1ccc(F)cc1)N(Cc1ccco1)C2=O
+,,,0.0,0.0,,,0.0,,,0.0,,0.0,,,,,CID723622,CCOC(=O)c1cc(C)[nH]c(=S)c1C#N
+,,,,,,,,0.0,,,,,,,,,CID890155,CCCc1ccc(OCc2ccc(C(=O)OC)o2)c(OC)c1
+0.0,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,,CID648549,CC(=O)Nc1cccc(NC(=O)C2CCCN2C(=O)Nc2cccc(C)c2)c1
+,,,,,,,,0.0,,,,,,,,,CID2838082,CCN(CC)C(=O)C1CCCN(Cc2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID710955,CC(C)Nc1nc(-c2ccccc2Cl)nc2ccccc12
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID658091,C=C(C)CSc1nnc2n(C)c(=O)c3c4c(sc3n12)CCC4
+,,0.0,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,CID2227364,O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccc2oc3ccccc3c2c1
+,0.0,,,,,,0.0,0.0,,,,0.0,,,0.0,,CID2158928,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(OC)c3)o2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID204278,COc1ncnc2c1NC(=O)CS2
+,,0.0,,0.0,0.0,,,,0.0,,,,,,,,CID781196,c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1
+,,,,,,,,,,0.0,,,,,,,CID2930644,CCOC(=O)C1=C(c2ccccc2)N=C2SCC(=O)N2C1c1ccc(OCC)c(OCC)c1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID2034924,Nn1c(SC/C=C/c2ccccc2)nnc1-c1cccnc1
+0.0,,,,,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID1078112,COc1ccc(CCN2CC(=O)C(c3nc(=O)c4ccccc4[nH]3)=C2N)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID975710,Cc1ccc(CNC(=O)CSc2nnnn2C)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID651146,CN(C)c1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID878499,Cc1c(C#N)c2ncn(Cc3ccccc3)c(=O)c2n1-c1ccccc1
+,,,,,,,0.0,,,0.0,,,,,,,CID5768017,CC1=C(C(=O)OC(C)C)C(/C=C/c2ccccc2)NC(=O)N1
+,,0.0,,,,,0.0,,,,,,,,,,CID652447,COc1ccc(OC)c(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c1
+,,,,,,,0.0,,,,,,,0.0,,,CID646831,CC(=O)Nc1cnc(NC(=O)c2cccc(F)c2)cc1C
+,0.0,,,,,0.0,0.0,,,,,,,,0.0,0.0,CID2971886,CC1(C(=O)O)C2C=CC(C2)C1C(=O)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5146290,CCNc1nc2[nH]c(=O)c3c(c2s1)OC(N)=C(C#N)C3c1ccc(C)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1309367,CC(=O)c1cccc(NC(=O)CN(c2ccccc2F)S(C)(=O)=O)c1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID3239722,COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,,CID952577,O=C(Nc1cccc2ncccc12)c1cc2ccccc2o1
+,,,0.0,,,,,,,,,,,,,,CID660074,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)C(C)N1CCC2(CC1)OCCO2
+0.0,,,,,,,,,,,,0.0,,,,,CID5307770,Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCO3)n1-c1ccc(F)cc1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID3236547,COc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(S(=O)(=O)c3ccccc3)c2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID2110952,CCCCN1Cc2cc(C(=O)c3cc(F)ccc3O)cnc2NC1=O
+,0.0,,0.0,,,0.0,,,,0.0,,,,0.0,,,CID969963,O=C(N1CCCC1)n1c(Cc2ccccc2)nc2ccccc21
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2178261,Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2)cc1
+0.0,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,CID663151,Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2N)cc1F
+,,,,,,,,0.0,,,0.0,,,,,,CID900532,Cc1ccc(NC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1C
+,,,,,0.0,,,,,,,,,,,,CID5389548,CN(C)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID8739,NS(=O)(=O)c1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1434985,Cc1ccc(C(=O)Cn2c(-c3ccccc3)noc2=O)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID5308981,Clc1ccc(C2CC(c3ccco3)N3NC=NC3=N2)cc1Cl
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID646206,CCC(=O)Nc1nc2ccc(NC(C)=O)cc2s1
+,0.0,,,,,0.0,,,,,,,,,,,CID651069,Cc1ccc(NC(=O)CC2SC3=NCCN3C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID5310819,O=C(O)C1=C(Br)C2=NC(c3ccccc3)CC(C(F)(F)F)N2N1
+,,,,,,,,,0.0,,,0.0,0.0,,,,CID778356,O=S(=O)(Nc1ccccn1)c1ccc(C2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID5742539,COC(=O)c1ccc(COc2ccc(C3C4=C(CCCC4=O)N=C4ONC(C)=C43)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1262135,O=C1Nc2ccc(F)cc2C12SCCS2
+,,,,,,,,,,,,,0.0,,,,CID3160979,O=C(O)c1cnc(N2CCOCC2)nc1
+,,,,,,0.0,,,,,,,,,,,CID3240720,CC1(C)CC(=O)C2=C(C1)N(CCN1CCOCC1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(Cl)cc1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID3239058,CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(C)c(Cl)c2)c1C
+,,,,,,0.0,0.0,,,,,,0.0,,0.0,,CID647169,CC(C)COC(=O)CCn1[nH]c(=O)c2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,,CID1548245,CCN(CC(F)(F)C(F)F)S(=O)(=O)c1ccc(NC(=O)OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID4248869,CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)C2c2sccc2C)cc1
+,,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,CID2080434,O=C(CSc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cn1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID2887095,CCc1ccc(NC(=O)C2CC(=O)N=C(N)S2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,0.0,,,CID2345123,O=c1c2c3n(c(=O)nc2[nH]n1-c1ccccc1)CCCCC3
+,0.0,,,,,,0.0,0.0,0.0,0.0,0.0,,,,0.0,,CID2210557,CC(=O)c1cccc(NC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1
+,,,,,,,0.0,,,,,,,,,,CID666585,CCC(C(=O)N1CCc2cc(OC)c(OC)cc2C1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID767936,Cc1nc(SCC(=O)Nc2nnc(-c3ccccc3)s2)n[nH]1
+,,,,,,0.0,,,,,,,,,,,CID2981069,Cc1cc(C)cc(N2C(=O)CC(n3ccnc3)C2=O)c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2128115,O=C(CSc1n[nH]c(-c2ccccc2Br)n1)NC(=O)NCc1ccco1
+,,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID151393,O=C(O)c1ccc(NCc2cccnc2)cc1
+,,0.0,0.0,,,,,,,,,,,,,,CID659065,Cc1cc(C)c2nc(SCCC#N)nc(C)c2c1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID650372,O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1
+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID5307435,COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2177899,O=C1N/C(=C/c2ccc(Br)s2)C(=O)N1c1ccccc1
+0.0,,,,,,,,,,,,0.0,0.0,,,,CID2287439,C#CCOc1ccc(Cl)cc1/C=N/O
+0.0,,,,0.0,,,0.0,,,,0.0,,,,0.0,,CID729967,CCN(CC)c1ccc(NC(=O)COc2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3243177,CCCS(=O)(=O)N1CCC(C(=O)N2CCc3ccccc3C2)CC1
+,0.0,,0.0,,,,,,,,,,,0.0,,,CID5307632,CCCCN(CC)CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,,,,,0.0,0.0,,,,,,,CID2894624,CCOC(=O)C1=NNC(C(=O)c2ccccc2)C1c1ccc(OC)cc1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,0.0,,CID973891,Cc1ccc(Nc2nc(=O)c3cccnc3s2)cc1
+0.0,,,,,,0.0,,,0.0,0.0,,,,,,,CID646725,CC(C)(C)n1nnnc1C(c1cccs1)N(Cc1ccccc1)Cc1ccco1
+,,,,,0.0,,,,,,,,,0.0,,,CID1851779,COC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)[nH]n2c1=O
+,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID648289,O=C(Nc1ccc(S(=O)(=O)NC2CCCC2)cc1)c1cnccn1
+,,,,,,,,0.0,,0.0,,,,,,,CID3241387,CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NC4CCCCC4)CC3)c(=O)c2cc1OCC
+,,,,,,,,,,0.0,,,,,,,CID5447109,CCN1C(SCC(=O)N(C(C)C)C(C)C)=NN/C1=C1\C=c2ccccc2=CC1=O
+,,,,0.0,,0.0,,,,,,,,,,,CID2833754,CCC1C(C#N)=C(SC)NC2=C1C(=O)CC(C)(C)C2
+,,,,,,0.0,0.0,,,,,,,,,,CID2997735,COc1ccc(CC(=O)OCc2nnc(C3COc4ccccc4O3)o2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID3229910,CCC1CCCCN1c1cc(C)nc2cc(-c3cccc(C)c3)nn12
+,,,,,,,,,,,,,0.0,,,,CID2083186,O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(N2CCOCC2)cc1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,,CID663937,COc1ccc2c(C(=O)CN3CCN(CCO)CC3)c[nH]c2c1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID841566,Cc1occc1C(=O)N/N=C/c1cnn(C)c1C
+,,,,,,,,,0.0,,,,,,,,CID2910730,Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)C)cc2)s1
+,,,,,,,,,0.0,,,,0.0,,,,CID725940,Cc1ccnc(NC(=O)c2ccc(COc3ccc(Cl)cc3)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID11842330,Cc1cc(C)n(C(=O)C(C(=O)c2ccccc2)C(C)C)n1
+,,,0.0,,0.0,,,,,0.0,,,,,,,CID649779,COc1cc(C)nc(N2CCCC(C(=O)NC3CCC(C)CC3)C2)n1
+,,0.0,,,,,,,,,,,,,,,CID661320,O=C(c1ncc[nH]1)c1ccco1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID651341,COc1ccc(CN(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2nccs2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,CID651941,O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cn1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID664150,CCC(C)n1c(-c2cccs2)nc2nc3ccccc3nc21
+,,,,,0.0,,,,,,,,,,,,CID876202,Cc1ccc(/C=C2/NC(=S)NC2=O)s1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID756673,COC(=O)C1CCN(C(=O)CCC2CCCCC2)CC1
+,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID3236595,O=C(c1ccc(=O)[nH]c1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2057324,c1ccc(OCCCCN2CCOCC2)cc1
+,,,0.0,0.0,,,0.0,0.0,,,,0.0,,,0.0,,CID1158037,COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1C(=O)O
+,,,,,,,,,,,,,,,0.0,,CID742815,COc1nc(NC(C)=O)nc(C)c1Br
+,,,,,,,,,,,,,,0.0,,,CID938943,COC(=O)C(NC(=O)Nc1cc(Cl)ccc1C)C(C)C
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID852255,Cc1ccc(C)c(S(=O)(=O)Nc2ccc3sc(C)nc3c2)c1
+,,,0.0,,,0.0,,,,,0.0,0.0,,0.0,,,CID955338,CC(C)C(=O)NCCc1nc2ccccc2n1C
+,,,,,,,,,,,,,0.0,,,,CID2419227,O=C1CN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)c2ccccc2N1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID662646,COC(=O)Cn1c2ccc(OC)cc2c2nc3ccccc3nc21
+,,,,,,,0.0,,,,,,,,0.0,,CID566752,CC12CN3CCN(CC(C3)C1(O)CN1CCCCC1)C2
+,,,,,,0.0,,,,,,,,,,,CID656229,Cc1cc(C)cc(N2CCN(C(=O)N3CCOCC3)CC2)c1
+0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,,,CID788673,Cc1cc(C)c2c(N)c(C(=O)Nc3nccs3)sc2n1
+,0.0,,,,,,0.0,,,,,,,,,,CID3239189,Cc1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1F
+,,,,0.0,0.0,,,,,0.0,,,,,,,CID655152,Cn1c(C(=O)OCC(=O)NCc2cccs2)cc2sccc21
+,,,,,,,,,,,,,,0.0,,,CID598849,O=C(NCCOc1ccccc1F)Nc1ccc(Br)cc1
+,0.0,,,,,,0.0,0.0,,,,,,,,0.0,CID1249291,COc1ccc(C(=O)CSc2cc(C)nc3nc(C)nn23)cc1OC
+,,,,,,,,,,0.0,,,,0.0,,,CID2434694,CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2C)c1C
+,,,,,,,,,,,,,0.0,,,,CID2399726,O=C(OCc1csc(-c2ccccc2)n1)c1ccc(O)cc1
+,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID1264947,COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccc2)n1N
+,,,,,,,,,,,,,,,0.0,,CID721946,CCOC(=O)c1ccc(NC(=O)CCC(=O)OC)cc1
+,,,,,0.0,,,,,,,,,,,,CID6622554,Cc1cc(N2CCC(C)CC2)[nH]c2cccc(=O)c1-2
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID649670,Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1
+,,,,,,,,,,,,,0.0,,,,CID729359,O=C(O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,0.0,CID890962,O=C1CCCC/C1=C\Nc1ccc(O)cc1
+0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID1152569,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID842959,Cc1nn(C)c(C(=O)NNC(=S)NCc2ccco2)c1Cl
+,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,0.0,,CID3240892,CCCN1CCN(CCCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID4370277,COc1ccccc1NC(=O)COC(=O)c1ccccc1OCC(=O)Nc1ccc(SC(F)F)cc1
+,,,,,,,,,,,,0.0,,,,,CID5389054,CN1C(=S)SC(/[N+]([O-])=C\c2ccco2)C1(C)C
+0.0,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID3244727,Cc1ccc(C2CCN(C(=O)Nc3ccccc3)C2)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID664964,Cc1ccc2nc(NC3=NCN(Cc4ccccc4)CN3)nc(C)c2c1
+,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3244670,Cc1cccc(OCC2=NS(=O)(=O)c3ccccc3N2)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID2128432,Cc1c(NC(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,,0.0,0.0,0.0,0.0,,,,,,0.0,,CID2931382,COC(=O)c1sccc1NC(=O)C1CC=CCC1C(=O)O
+,0.0,,,,,,,,,,0.0,,,,,,CID690742,CCOc1ccc(/C=N/n2cnnc2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1606763,O=C(NCc1ccco1)/C(=C/c1cccnc1)NC(=O)c1ccco1
+,,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID3242422,CCCCOC(=O)CSCC(=O)Nc1cc(C)on1
+,,,,,,,,,,,,,0.0,,,,CID868157,Cc1cc(C)cc(OCc2nc(-c3cccnc3)no2)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID5308586,O=C(O)CCCC(=O)N1CCc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID587511,COc1ccc(CSc2nnnn2C)cc1F
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+,0.0,,,,,,,,,,0.0,,,,0.0,,CID2973566,Cn1c(CCCNC(=O)c2cccs2)nc2ccccc21
+,0.0,,,,,,,,0.0,,,,,,,,CID3239501,COc1ccc(N2CCN(Cc3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1
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+,0.0,,,,,,,,,,,,,,0.0,,CID3244687,COC(=O)Cn1c(CCS(=O)(=O)c2ccc(C)c(C)c2)nc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID2965305,CCCC1Cc2c(sc(N)c2C#N)CO1
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+,0.0,,,,,,0.0,,,,,,,,,,CID168683,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)O
+,,,,0.0,0.0,0.0,,,,,0.0,,,,0.0,,CID647980,CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)OC)o2)cc1
+0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0,0.0,CID664109,O=C(Nc1ccccc1)N(CCN1CCOCC1)Cc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID1476011,COC(=O)c1cnc(SCc2ccc(C)cc2)n1C
+,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID3245881,COc1cc2nc(=S)n3[nH]c(CCn4nc(C)cc4C)nc3c2cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID1250995,CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccc(Br)cc1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,,CID648806,CC(C)(C)NC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1csnn1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2974453,COc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OC
+,,,,,,,,,0.0,,,,,,,,CID764944,COc1ccccc1CN1CCSCC1
+0.0,,,,,,,0.0,,,0.0,0.0,,,,,0.0,CID3238480,Cc1ccc(C)c(N2CCN(C(=O)CCNC(=O)Cn3ccc4ccccc4c3=O)CC2)c1
+0.0,,,0.0,,,,0.0,,,,,,,,,0.0,CID666273,COc1ccccc1-c1noc(-c2cccnc2)n1
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID1313619,COC(=O)c1ccc(CNC(=O)COc2ccccc2Br)o1
+,,,,,,,,0.0,,,,,,,,,CID2287613,CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCSCc2ccco2)cc1
+,,,,,,,0.0,,0.0,,,,,,,,CID667161,COc1cc(C2C3CCCCC3(O)CCN2CC(=O)Nc2ccc(C)cc2)ccc1O
+,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID2108058,COc1ccc(NS(=O)(=O)c2ccc3oc(Nc4ccc5c(c4)OCCO5)nc3c2)cc1
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+,,,,,,,0.0,,,,,,,,,,CID656089,CC(c1ccccc1)C1NC(C(=O)O)CS1
+,,,,,,,,,,,,,,0.0,,,CID2967046,CC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID698012,Cc1ccccc1Oc1ccc(S(=O)(=O)NCCC(=O)O)cc1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID651086,COc1ccc(-c2cc(C(F)F)nc(-n3nc(C)cc3C)n2)cc1
+,,0.0,,,,0.0,,0.0,,,,,,,,0.0,CID801592,COc1cc(C)c(C(C)C)cc1S(=O)(=O)n1cnc(C)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID651751,O=C(CSc1nnnn1-c1ccc2c(c1)OCCO2)OC1CCCCC1
+0.0,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID659827,COc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID4065750,O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC1CC1
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+,,,,,0.0,,,,,,,,,,,,CID1352115,O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(O)cc1
+0.0,,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,CID389130,CCOC(=O)C(NC(=O)c1ccccc1)(Nc1cc(C)on1)C(F)(F)F
+,,,,0.0,,,,,,,,,,,,0.0,CID1259370,COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2234484,CCCNS(=O)(=O)c1cc(Cl)ccc1OC
+,,,,,,,,,,,,,0.0,,,,CID708752,Cc1cc(-c2ccco2)n(-c2ccccc2)n1
+0.0,,,,,,,,,,,,,,,,0.0,CID3242593,O=c1cc(N2CCN(Cc3ccccc3)CC2)[nH]c(=O)n1Cc1ccc(F)cc1
+,0.0,0.0,,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,CID1095103,COc1ccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID1167074,COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1451458,CC(C)=CC(=O)Nc1nnc(-c2ccccc2)s1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID800730,Cc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)o1
+0.0,,,,,,,,0.0,,0.0,0.0,,,0.0,0.0,0.0,CID712632,Cc1c(Br)c(=O)[nH]c(=O)n1COCc1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID3244800,Cn1c(=O)cc(OCC(=O)N2CCC3(CC2)OCCO3)c2ccccc21
+,0.0,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,CID3242689,Cc1nc2ccc(S(=O)(=O)NCC(=O)N3CCC(N4CCCCC4)CC3)cc2s1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID2155329,CCOc1ccc(-n2c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc3c(c2=O)SCC3)cc1
+,,,0.0,0.0,,0.0,,,,0.0,,,,0.0,,0.0,CID653399,CCN1C(=O)CC(C(=O)Nc2ccc(C(=O)O)cc2)S/C1=N\c1ccccc1OC
+,,,,,0.0,,,,,,,,,,,,CID3116757,Cc1ccsc1-c1ncnn1-c1sc2c(c1C#N)CCCC2
+,,,,,,,,,,,,,0.0,,,,CID2859356,C=CCC1C=C(C)CC(CC=C)N1
+,,,,,0.0,,,,,0.0,0.0,,,0.0,,,CID5309273,O=C1CCc2cc(S(=O)(=O)NC(Cc3ccccc3)C(=O)NC3CCCCC3)ccc2N1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2077608,Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,,0.0,,,CID2968449,COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1Cl
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID1653580,CC(C)n1c(=O)[nH]c2ccccc21
+,,,,,,,,,,,,,0.0,,0.0,,CID2301203,COCCNC(=O)CN(C)S(=O)(=O)c1ccc(Br)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID3241817,Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1027798,O=C(NNS(=O)(=O)c1ccc(Br)cc1)NC1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID1376682,CCOc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
+0.0,,,0.0,,,,,,,,,0.0,,0.0,,0.0,CID2956580,CCCOc1ccc(C(=O)N2CCN(c3ccc(NC(=O)CC)cc3Cl)CC2)cc1
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID714986,O=S(=O)(Cc1ccccc1Cl)N1CCCCC1
+,,,0.0,,,,,,,,,,,,0.0,,CID2059961,CC(=O)c1cc2c(cc1NC(=O)CSc1nc3ccccc3o1)OCO2
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID3240312,Cc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID902549,Cc1ccc(SCc2nnc(NC(=O)c3ccccc3)s2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5678335,N#C/C(C(=O)Oc1ccccc1)=C1\C=CC=CN1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID1246054,CCc1ccc(C(=O)N2CCCC2)s1
+,,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,CID3235952,Cc1ccc(Nc2oc3cc(=O)ccc-3cc2C(N)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID4332121,O=C(CCCCCNC(=O)c1ccccc1)N/N=C/c1ccccc1
+,,,,,0.0,,,0.0,,,0.0,,,0.0,,,CID2396236,Cc1cc(C)nc(NC(=O)CSc2nc3ccccc3s2)n1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID667085,COCCCn1c(C(C)C)nc2oc3cc(OC)ccc3c(=O)c2c1=O
+,,,,,,,,,,,,,0.0,,,,CID3286437,O=c1cc(N2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)n[nH]1
+0.0,,,,,,,,,,,,0.0,,,,,CID3244863,COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)cc(OC)c1OC(=O)N1CCOCC1
+0.0,,,,,,,,,,0.0,,,,0.0,,0.0,CID1027437,O=C(c1ccc(Br)o1)N1CCN(C/C=C/c2ccccc2)CC1
+,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,CID2212689,CCCCC(=O)Nc1cccc(-c2nn3c(C)nnc3s2)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID714273,N#Cc1nc(N2CCCC2)nc(N2CCCC2)n1
+,,,,,,,,,0.0,,,,,,,,CID2032939,COC(=O)C(CCSC)NC(=O)NCCc1ccccc1F
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID653110,COc1ccc(N2CCN(C(=O)CSc3ccccc3N)CC2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,,CID3245814,O=c1c2ccccc2c2ccccc2c(=O)n1Cc1cccnc1
+0.0,0.0,,,,0.0,,,,0.0,,,,,,,0.0,CID651851,COc1ccccc1-n1c(SCC(=O)N2CCCCC2)nc2cccnc21
+,,,,,,,,,,,,,0.0,,,,CID1006973,CC(C)NS(=O)(=O)c1ccc(CCC(=O)NCc2ccncc2)cc1
+0.0,,,0.0,0.0,,,,,,,0.0,,0.0,,0.0,,CID2232433,COc1ccccc1OCCCCCc1c(C)n[nH]c1C
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID5307681,O=C(NCCc1ccc(Cl)cc1)c1nnc(Cc2ccc(Cl)cc2)o1
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID847858,CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1
+,,,,,,,,,,,,,,0.0,,,CID2564183,COc1ccc(-c2nc(NC(=O)Cn3cnnn3)sc2C)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID653789,Cc1ccc(N2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID894412,Cc1cc(C(=O)O)ccc1-c1ccc(CO)o1
+,,,,,,,,,,,,,,,0.0,,CID665210,CCCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C(=O)OC)=C(N)O2
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2961924,CCc1[nH]nc2c1C1(C(=O)N(Cc3ccccc3)c3ccccc31)C(C#N)=C(N)O2
+,,,,0.0,,,,,,,,0.0,,0.0,,,CID2997741,O=S(=O)(NCC(O)COCc1ccco1)c1cccs1
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,,CID647104,O=C(CC1Nc2ccccc2NC1=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID789590,Cc1ccc(-n2[nH]c(C)c(/C=C3\C=Nc4ccccc43)c2=O)cc1C
+0.0,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,0.0,CID646462,CC(=O)C1=C(O)C(=O)N(CCN(C)C)C1c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID1377936,Cc1ccc2c(c1)N(C(=O)c1ccco1)C(C)(C)c1ssc(=S)c1-2
+,,,,,,,,,,,,,,0.0,,,CID718872,CN(C)CCNc1cnn(-c2ccccc2)c(=O)c1Cl
+,,,,,,,,,,0.0,,,,,,,CID3155772,CN1C(=O)SC(Nc2ccccc2)C1=O
+0.0,,,0.0,,,,,,,,,0.0,,,,0.0,CID3236369,Cc1ccc(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2367711,CC(C)c1ccc(NC(=O)COc2ccccn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3468758,COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1[N+](=O)[O-]
+,,,0.0,,,,,,,,,,,,,,CID3245609,O=C(O)CC(c1ccc(Cl)cc1)n1cccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID3957440,Cc1ccc(C)c(S(=O)(=O)N/N=C2\CCCc3ccccc32)c1
+,,,,,,,,,,0.0,,,,,,,CID1071416,CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1480761,Cc1ccc(Oc2ccccc2/C=C2\SC(=O)N(C)C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3127435,CCCc1sc(N/N=C/c2ccccn2)nc1-c1ccc(Br)cc1
+,,,,,,,,,,0.0,,,,,,,CID3591680,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3[nH]c(C)cc3c2)cc1
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID662852,O=C1CC(c2ccc(F)cc2)CC(=O)C1=CNCCN1CCN(C(=O)Nc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2862686,CCOC(=O)c1c(NC(=O)CCC(=O)O)sc2c1CCCCC2
+,,,,,,,,0.0,,,,,,,,,CID758761,C=CCn1c(O)c(C(=O)Nc2cccnc2)c(=O)c2ccccc21
+,,,0.0,,,,0.0,,,0.0,0.0,0.0,,0.0,,,CID1242497,N#Cc1nc(Cc2ccccc2)oc1NCCc1ccccc1
+,,,,,,,0.0,,,0.0,0.0,,,,,,CID3237117,Cc1nc2c3ccccc3nc(=O)n2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID714645,CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3o2)c1
+,,,,,0.0,,,,,,,,,,,,CID2887241,CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC=CCC1C(=O)O
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID651833,O=C(O)C1CC(=O)N(c2ccc(OCc3c(F)cccc3Cl)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2964209,CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)CCn2cnc3ccccc3c2=O)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID7164095,CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sccc3C(N)=O)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2387114,COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID219756,Cc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1488385,Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)n1
+,0.0,,0.0,,,,,,,0.0,,,,,,,CID786772,O=C(NCc1ccccc1)c1ccc(CN2CCOCC2)cc1
+,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,CID3236853,COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccco2)c(OC)c1
+,,,,,,,,,,,,,,,,0.0,CID707635,CCSc1nc2ccccc2n1CC(=O)N1CCOCC1
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+0.0,,,,,,,,,,0.0,,0.0,,,0.0,,CID719677,CCn1c(CSc2nc3ccccc3n2C)nc2ccccc21
+,0.0,0.0,,,,,,,,,,,,,,,CID647469,CC(C)Sc1nc2c(c(=O)n(C)c(=O)n2C)n1C
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+,,,,,,,,,,,,,0.0,0.0,,,CID2576069,CC(=O)c1ccc(-c2ccc(C(=O)N3CCCc4ccccc43)o2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID5341273,Cc1cccc(N2C(=O)S/C(=C3\C(=O)Nc4ccccc43)C2=O)c1
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+,,,,,,,,,,,,,,,,0.0,CID3244462,COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)ccc1OC(=O)N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID910634,CCCC(=O)NC1=C(C#N)C2(CCCCC2)Cc2ccccc21
+0.0,,,,,,,0.0,0.0,,,,,,0.0,0.0,,CID3000162,Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCC(C(N)=O)CC1
+,,,0.0,0.0,,,,,,,0.0,,,,0.0,,CID653337,Cc1nnc(SCCn2c(N3CCCCCC3)nc3c2c(=O)[nH]c(=O)n3C)s1
+,,,,,,,0.0,,,,,,,0.0,,,CID655524,O=C(OC(C(=O)NCC1CCCO1)c1ccc(F)cc1)c1ccco1
+,,,,,,,,,,,,0.0,,,,,CID651263,CN1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(Cc3ccccc3)C2C1
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+,,0.0,0.0,,,,,,,,,0.0,0.0,,,,CID664254,CCCCOCCCn1c(-c2ccco2)nc2nc3ccccc3nc21
+,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,0.0,,CID1946956,COC(=O)c1ccc2c(=O)n(CCCN3CCOCC3)c(=S)[nH]c2c1
+0.0,,,,,,,0.0,0.0,0.0,0.0,,,,,,,CID661796,Cc1cc2c(c(=O)n1Cc1ccccn1)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2
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+,,,,,,,,,,,0.0,,,,,,CID2123627,CCOc1ccc(-c2nnc(NC3=NCCCCC3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4564318,COC(=O)c1sc2ccccc2c1-n1cccc1C(=O)C(=O)Nc1ccc(OC)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID5389652,O=C1C=C/C(=C2/NNC=C2c2ccc(Cl)cc2)C(O)=C1
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+,,,,,,,,0.0,0.0,,,,0.0,,,,CID2098774,CC(NC(=O)c1ccco1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID1231040,CCc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(C(C)(C)C)C3=O)s1
+,,,,,,,,,,,,,,0.0,,,CID952350,Cc1nc2ccccc2nc1OCc1cccc([N+](=O)[O-])c1
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+,,,,,0.0,,,,,,,,,,,,CID1475806,O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccc(Cl)cc2)nn1
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID1232477,Cc1cc(C)c(S(N)(=O)=O)c(C)c1-n1cnnn1
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+,,,,,,,,0.0,0.0,,,,,,,,CID3961568,CCOC(=O)c1nnn(-c2nonc2N)c1CS(=O)(=O)c1ccccc1
+0.0,,,,,,,,,,,,0.0,,,,,CID651762,COc1ccccc1N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1
+0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,,0.0,CID665506,CC(C)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O
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+,,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID2920736,COc1ccc(C2OC(=O)c3ccccc3S2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,0.0,,0.0,CID631101,O=c1oc2ccc(Br)cc2cc1-c1nc2ccccc2o1
+,,,,,,,,,,,0.0,,,,,,CID1076113,Cc1ccc2cc(C=C(C#N)C#N)c(N3CCCCC3)nc2c1
+,,,,,,0.0,,,,0.0,,0.0,0.0,,,,CID611222,CC(C)(C)c1cc(C(=O)O)nn1-c1ccccc1
+0.0,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,CID664951,Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(N3CCOCC3)cc2n(C)c1=O
+,,,,,,,,,,,,,,,,0.0,CID2951463,Cc1cc2c(cc1C)NC(c1c(C)n(C)n(-c3ccccc3)c1=O)C1=C(CC(C)(C)CC1=O)N2
+,,,,,,,,,,,0.0,,,,,,CID4033942,CC(C)Oc1ccc(C(=O)NC2(C(F)(F)F)N=C3SCCN3C2=O)cc1
+,,,,,,,,,,,,,,,,0.0,CID697921,O=S(=O)(c1ccccc1C(F)(F)F)N1CCOCC1
+,,0.0,,,,,0.0,,,,,,,,,,CID2997530,COC(=O)c1ccccc1NC(=O)COC(=O)CSCC(=O)N1CCOCC1
+,,,,,,,,,0.0,0.0,,,,,,,CID2342536,Cn1c(N)c(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c(=O)n(C)c1=O
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+,,,,,,,,,,,,,,0.0,,,CID16188731,CSc1ccccc1C(=O)C1CCCN(C(=O)CCc2cccnc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2841319,O=C1CC(NNc2ccccc2)C(=O)N1c1cccc(Cl)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2257667,COCCNC(=O)Cn1nc(C(F)(F)F)cc1C
+,0.0,,,,,,,,,,,,,,,,CID5308269,Cc1nn(C)c(C)c1S(=O)(=O)N(CC(=O)Nc1nccs1)c1ccc(C(C)C)cc1
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+,,,,,0.0,,,,,,,,,,,,CID621600,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2493155,O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccc(F)cc2)cs1
+,,,,,,,,,,,,,,0.0,,,CID2379402,Cc1cnc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1
+,,,,,,,,,,0.0,0.0,,,,,,CID1541053,COc1ccc(NC(=O)CSc2nc(C)c3c(c2C#N)CCCC3)cc1
+,0.0,,,,,,,,,0.0,,,,,,,CID2953449,O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)C1CCCO1
+0.0,,,0.0,,,,,,,,,,,,,,CID3242209,O=C(CN1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1)Nc1ccc2c(c1)OCCO2
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID647274,COc1ccc(S(=O)(=O)N2CCC(n3cnc4cc(C(F)(F)F)ccc43)CC2)cc1
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+,,,,,,,,,,,,,0.0,,,,CID695276,COc1ccccc1C(=O)N1c2ccccc2Sc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID261898,CCOC(=O)c1c(C)[nH]c(-c2csc(C)n2)c1C
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID1761867,COCCOC(=O)c1c(C)oc2ccc(OCC=C(C)C)cc12
+,0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,,,0.0,0.0,,,,CID2100211,O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c(c1)OCCO2
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+,0.0,0.0,,,,,0.0,,,,,,,,,,CID650226,Cc1cc2c(s1)c1cnn(CC(=O)NCCc3ccccc3)c(=O)c1n2C
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+,0.0,,0.0,,,,,,,0.0,,,,,,,CID2999492,Cc1ccc(-c2nc(C#N)c(NCCc3ccccn3)o2)cc1
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+,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,,CID3241314,O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID652195,Cc1ccc(-c2nnn(CC(=O)NC3CC4CCC3C4)n2)cc1
+0.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0,CID646795,CC(=O)Nc1cc2c(nc1C)nc(C)n2Cc1ccc(Br)cc1
+,,,,,,,,,0.0,,,,,,,,CID2264287,COC(=O)CCC(=O)Nc1cccc2ccccc12
+,,,,0.0,,,,,,,,,,,,,CID646085,Cc1nnc(NC(=O)CSc2nnc3scc(-c4ccc(C)c(C)c4)n23)s1
+,,,,,,,,,,,0.0,,,,0.0,,CID686055,CCOc1ccc(OCC)c(S(=O)(=O)NCc2cccnc2)c1
+0.0,,,,,0.0,,,0.0,,0.0,,,,,,,CID3242551,CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC
+,,0.0,,,,,0.0,,,,,,,,,,CID5389779,CCCCOC(=O)C1C2C=CC3(CN(CCc4ccccc4)C(=O)C13)O2
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+,,,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,CID1117990,O=C(O)C1CCN(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CC1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID2886593,CCC(CC)C(=O)N1c2ccc(F)cc2CCC1C
+0.0,0.0,0.0,,,,0.0,,,0.0,,,0.0,,0.0,0.0,1.0,CID653933,CN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1
+,,0.0,0.0,,,,,,,,,,,,,,CID2973618,COc1cc(OC)c(C2=NOC(C(=O)NCc3ccc4c(c3)OCO4)C2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID3338691,CCOC(=O)NNC1CC(=O)N(c2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID16187547,CN(Cc1ccc(OCC(O)CN2CCCCC2)cc1)Cc1ccnc2ccccc12
+0.0,,,,0.0,,,0.0,,,,,0.0,,,,0.0,CID658866,CCN(CC)c1ccc(-n2c(C)c(C(C)=O)c(C(C)=O)c2C)cc1
+,,,,,,,,0.0,,,,,,,,,CID3241653,Cc1nnc(NC(=O)C2C3C=CC(O3)C2C(=O)O)s1
+,,,,,,,,0.0,,,,,,,,,CID967339,Cc1ccc(NS(=O)(=O)c2cc(C(N)=O)ccc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID2905309,CC1=CCC2C(=O)N(c3ccc(C(=O)N4CCCCCC4)cc3)C(=O)C2C1
+,,,,,,,,,,,,,0.0,,,,CID16187497,COc1ccc(C(=O)C2CCCN(Cc3cn[nH]c3-c3ccccc3)C2)cc1OC
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID3239101,COc1ccc2nc(NC(=O)CCNS(=O)(=O)c3ccc4c(c3)oc(=O)n4C)sc2c1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID949745,COC(=O)c1cc(Br)c(=O)n(-c2ccccc2F)c1
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID3242875,CC1=C(c2ccc(C)cc2)S(=O)(=O)N(CC(=O)O)C1=O
+,0.0,,,,,0.0,,,,,,,,,,,CID1252554,Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)c(=O)c2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID6289256,CN/C(C)=C1/C(=O)Oc2ccccc2C1=O
+,,,,,0.0,0.0,0.0,,,,,0.0,,,,,CID666276,CCCCCCc1ccc(OCC(=O)O)cc1OCC(=O)O
+,,,,,,,,,1.0,0.0,,,0.0,,,,CID900582,O=C(Cc1cccs1)Nc1nnc(Cc2ccccc2)s1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID3237624,O=C(O)c1[nH]c2ccc(Cl)cc2c1CC(=O)N1CCN(c2ccccc2)CC1
+0.0,,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,CID649148,O=C(O)CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID577823,c1cncc(-c2noc(-c3ccco3)n2)c1
+,,,,,,,,,,,,,,0.0,,,CID4582524,Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)o1
+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID782725,CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1
+0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID752705,Brc1ccc(-c2nc(-c3ccccc3)no2)o1
+,,,,,0.0,,,,,,0.0,,,,,,CID793731,Cc1c(/N=C/c2nc3ccccc3n2C)c(=O)n(-c2ccccc2)n1C
+,,,,,,,0.0,,,,,,,,,,CID5310423,O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)NCc1ccco1
+,0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,CID833589,CCN(c1ccccc1)S(=O)(=O)c1ccc(N)cc1
+,0.0,,,,,,,,0.0,,0.0,0.0,,,,,CID2401385,COc1ccc(Nc2nc(N)nc(SCc3nnc(C)s3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID979677,CCOc1c(Br)cc(CNc2ccc3c(c2)OCCO3)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID9550988,CCc1ccc(NC(=O)c2onc(C)c2Cl)cc1
+,0.0,,,,,0.0,,,,,0.0,,,,,0.0,CID2208140,COc1ccc(CC(=O)n2nc(-c3ccccc3)nc2NCc2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID851054,COc1ccc(/C=C2/C(=O)N=C3SCCN32)cc1
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID747387,COC(=O)C1CCN(C(=O)Cc2ccc(Br)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1927302,CCOC(=O)c1ccc(N/C=C/C(=O)c2ccc(OC)c(OC)c2)cc1
+,,0.0,,,,,,,,,0.0,,,0.0,,,CID2352576,CCOc1ccc(C(=O)OCC(=O)NCc2ccco2)cc1OCC
+,0.0,,,,,,,0.0,,0.0,,,,,0.0,,CID660671,CC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID16195748,CCOC1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2cn(C(C)=O)c3ccccc23)C1CCCO
+,0.0,0.0,,,,,,,0.0,0.0,,0.0,,,,,CID2954742,CCSc1ccccc1C(=O)NCCCn1ccnc1
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID5307692,CCCS(=O)(=O)n1nc(-c2ccc(OC)cc2OC)cc1N
+,,,,,,,,,,,,,0.0,,,,CID2327290,Cc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)o1
+,,,,,,,,0.0,,0.0,,,,,,,CID807212,O=C1c2ccccc2C(=O)N1CCOc1ccccc1
+,0.0,,,,0.0,,,,,,,,,,,0.0,CID3243350,O=C1CC(CCC(=O)NC2CC2)c2ccccc2N1
+,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID662814,COc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1N
+,,,,,,,,,,0.0,,,,,,,CID2854802,CCC1C(=O)CC(c2ccco2)NC1c1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID2181107,COc1ccc(/C(O)=C\C(=O)C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2870700,O=C(COc1cccc2ccccc12)NCC1CCCO1
+,,,,,,,,,,,,,,0.0,,,CID1047653,Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1042135,O=C(Cn1nnc(-c2ccccc2Cl)n1)N/N=C/c1ccc(-c2cccc(Cl)c2)o1
+,,,,,,,,,,,,,,0.0,,,CID4918867,Cc1c(F)cccc1NS(=O)(=O)c1ccc2c(c1)NC(=O)CO2
+,,,0.0,,,,,,,,,,,,,,CID660145,CCc1nc2n[nH]c(N)c2c2c1CCCC2
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID736798,Cn1c(=O)c2c(=O)cc(O)n(-c3ccccc3)c2n(C)c1=O
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID3239435,Cc1ncoc1C(=O)Nc1cccc(Cl)c1
+,,,,,,,,,0.0,,,,,,,,CID3238236,Cn1cc(CN2CCN(c3ccccc3)CC2)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID743942,COc1ccc(-n2cnc3ccccc32)cc1
+0.0,,,,0.0,,0.0,,,0.0,0.0,,0.0,,,,,CID1511459,Cc1cc2nsnc2c(S(=O)(=O)N2CCN=C2Cc2ccccc2)c1C
+,,,,,,,,,,,,,0.0,,,,CID2469744,COC(=O)c1ccc(COc2ncnc3sccc23)cc1
+0.0,,,0.0,,,,0.0,,,,,,,,0.0,,CID884997,Nc1nc(NCc2ccco2)nn1-c1ccccc1
+0.0,,0.0,,,,,,,,,,,,,,,CID2435404,CN1/C(=C\C(=O)COc2ccc3c(c2)OCO3)C(C)(C)c2ccccc21
+,,,,,,,,,0.0,0.0,,,,,,,CID1978861,CCC(C)(C)C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
+,,,,,,,,,,,,,0.0,,,,CID886418,S=C(NCc1ccccn1)Nc1cccc2ccccc12
+0.0,,,,,,,,,,,,,,0.0,,0.0,CID655693,COc1cccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCN(C)CC2)c1OC
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID648814,CC(C)CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,0.0,CID2325032,O=c1nc2n(c3c1oc1ccccc13)Cc1ccccc1-2
+,,,,,,,,,,,,0.0,,,,,CID2966848,CCOc1ccc(Oc2nc(NCC(C)C)nc(N(C)C)n2)nn1
+,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,,,0.0,,CID652594,COCC(=O)Nc1nnc(COc2ccccc2)s1
+,,,,,,0.0,,,,0.0,,,,,0.0,0.0,CID1244003,COc1ccc(C(C)(C)C)cc1NC(=O)c1ccoc1C
+,,,,,0.0,,,,,,,,0.0,,,,CID1042283,CCOC(=O)c1cc(CC)sc1NC(=O)C(c1ccccc1)c1ccccc1
+,,,,,,,,0.0,,,,,0.0,,,,CID2213091,C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)c1ccc(Br)cc1
+,,,,,,,,,,,0.0,,,,,,CID2388115,Cc1ccc(C(=O)OCC(=O)Nc2ccc(N(C)C)cc2)cc1NC(=O)c1ccco1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1386807,CCOC(=O)Cc1nnc(Nc2ccc(C)cc2)c2ccccc12
+,,,,,,,0.0,,,,0.0,,,,,,CID1300651,COc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccco3)ccc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID2766535,CN(C)/C=N/C(=S)Nc1ccc(F)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID2388695,O=C(CSc1nc2cc(Cl)ccc2o1)NCCc1ccccc1
+,0.0,,,,,,0.0,,,,,,,,,,CID646650,CCOCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID3238667,COc1ccc(CN2CC(C(=O)NCc3cccc(OC)c3)CC2=O)cc1
+0.0,,,,,,,0.0,,,,,,0.0,,0.0,0.0,CID658848,COc1ccc(O)c(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)c1
+,,,,,,,0.0,,,,,,,,,,CID3245206,CCCN1Cc2cccc(C(=O)NCCCOC(C)C)c2C1=O
+,,,,,,,,,,,0.0,,,,,,CID3231088,COC(=O)CSc1ccc(-c2nc3ccc(C)cc3[nH]2)cn1
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID695283,CCOC(=O)CSc1nc(C)c2ccc(C)cc2n1
+0.0,0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID2221608,CCCCN1C(=O)c2ccc(C(=O)NC3=NCCS3)cc2C1=O
+,,,,,,,,,,,,,,0.0,,,CID656041,OC1(c2ccccc2F)CC2CCC(C1)N2CCN1CCOCC1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3243768,COC(=O)c1cn(NC(=O)C2CCCCC2)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID4312744,CCOc1ccc(/C=N/Nc2cc(=O)n(C)c(=O)n2C)cc1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,0.0,0.0,CID665429,CC(C)NC(=O)c1ccccc1-c1nc(-c2ccccc2Cl)no1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID646222,CCOc1ccc(NC(=O)CSc2nnc(C)n2CCCOC)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID4260895,Cc1nnc(Sc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)s1
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID645783,Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)CC2COCCO2)cc1
+,,,,,,,,0.0,,,,,,,,,CID667406,COc1cc(-c2noc(CCCC(=O)NCc3ccco3)n2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID2930343,CC1(C)CC(CCNS(=O)(=O)c2ccccc2)(c2ccccc2)CCO1
+,,,,,,,,,,,,,0.0,,,,CID698230,CCOC(=O)c1c(N)sc(C(=O)Nc2ccccc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID5340435,CCCn1c(N/C=C2\C=CC=CC2=O)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID1287957,COc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)c(OC)cc1Cl
+,,,,,,,0.0,0.0,,,,,,,0.0,0.0,CID3241553,CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3nc(C)cc(C)c32)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308742,O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCc2ccccc2C1
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+,0.0,,,,0.0,,,,,,,,,,,0.0,CID645889,CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)c3C#N)C2=O)cc1
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+,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID655330,CCc1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CC3)s1
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID3238610,O=C(CSc1nc2ccccc2c(=O)n1CCCC(=O)N1CCCC1)NCc1ccco1
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+,0.0,,0.0,,,,,,,,,,,,,,CID647436,Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCC2CCCO2)Cc2ccc(F)cc2)c1
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+0.0,,0.0,,,,,,,,,,,,,,,CID657854,Cn1c(OCc2ccco2)nc2c1c(=O)n(Cc1ccc(Cl)c(Cl)c1)c(=O)n2C
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+,0.0,,,,,0.0,,,,,,,,0.0,0.0,0.0,CID660310,Cc1n[nH]c(=O)nc1NCc1ccc(Cl)cc1
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+,,,0.0,,,,,0.0,,,,0.0,,,,,CID4289349,CC(C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID900630,COC(=O)c1cccc(NS(=O)(=O)c2ccc(OC)cc2)c1C
+,,,,,,,,0.0,,,0.0,,,,,,CID1165821,O=c1[nH]c2cc3c(cc2cc1CN(CCO)S(=O)(=O)c1ccccc1Cl)OCCO3
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID2790144,CCCCOC(=O)Nc1sc2c(c1C(=O)OC)CCC2
+,,,,0.0,,,,0.0,0.0,0.0,,,,,,,CID3240928,CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)c(C)n1CC
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+,0.0,,,,,0.0,,,,,,,,,,,CID77808,N#CCCN1CCN(CCC#N)CC1
+,,,,1.0,,,,,,,,,0.0,,,,CID5281670,O=c1c(O)c(-c2ccc(O)cc2O)oc2cc(O)cc(O)c12
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+,0.0,,,,,,0.0,,,,,,,,0.0,0.0,CID646968,Cc1ccc(-n2ncc3c(=O)n(CC(=O)NCc4ccco4)cnc32)cc1
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+,,,,,,,,,,,,,,0.0,,,CID1000713,Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3ccccc3C2)c2cccc(Cl)c2)cc1
+,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,,CID665626,COc1cccc(-c2noc(CCC(=O)Nc3cccnc3)n2)c1
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+,,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID2189191,COc1ccc(OC)c(N/C=C2/CCCCC2=O)c1
+,0.0,,,,,0.0,,0.0,,,,,,,,,CID976403,CC(C)(C)N1C(=O)c2ccc(C(=O)NCc3ccco3)cc2C1=O
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+,,,,0.0,,,,,,,,,,,,,CID652977,Cc1ccc2c(c1)N(C(=O)CSc1nncn1C)C(C)(C)c1ssc(=S)c1-2
+,,,,,,,,,,0.0,,,,,,,CID1006302,N#Cc1cc2c(nc1SCC(=O)Nc1cc(Cl)cc(Cl)c1)C1CCN2CC1
+,,,,,0.0,,,0.0,,,,,,,0.0,,CID710110,Cc1c(/N=C/c2cccs2)c(=O)n(-c2ccccc2)n1C
+,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,0.0,0.0,CID2928110,CCOC(=O)C1=C(C)OC(N)=C(C#N)C1C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID3107690,CN(CCO)c1cc(N(C)CCO)c([N+](=O)[O-])cc1[N+](=O)[O-]
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+,,,,0.0,,,0.0,,,,,,,0.0,,,CID3242274,Cc1cc(NC(=O)C2CCCCC2)nc2c1c(=O)oc1ccccc12
+,,,,,,,,,,,,,,,0.0,0.0,CID647003,O=C(CN(Cc1ccccc1F)C(=O)c1ccco1)NCc1ccc(F)cc1
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+,,,,,,,,,,0.0,0.0,,,,0.0,,CID652389,CN(C)S(=O)(=O)c1cccc(C(=O)NCc2ccco2)c1
+,,,0.0,,,,0.0,,0.0,0.0,,,,,,,CID659345,Cc1cc(=O)oc(C)c1C(=O)N1CCN(C)CC1
+,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID11257,CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID647579,COc1ccc(C(c2nnnn2Cc2ccc(F)cc2)N2CCN(c3ccccc3)CC2)cc1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID1310640,COc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccccc3)n2C)c1
+0.0,,,,,0.0,,0.0,,0.0,0.0,,0.0,,,,,CID3237244,CC1CCN(CCCNC(=O)COc2cc(=O)n(C)c3ccccc23)CC1
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID1016791,CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc3c4c(cccc24)CC3)cc1
+,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,,CID649070,N#Cc1c(-n2cccc2/C=N/O)sc2c1CCCC2
+,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,CID2999475,C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)N(C)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,,,,CID2393169,O=C(CSc1ncnc2scc(-c3ccccc3)c12)NCc1ccc2c(c1)OCO2
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID666125,O=C1c2ccccc2C(=O)N1Cc1nc2ccccc2c(=O)n1CCN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID3848340,C/C(=N\OC(=O)c1c(-c2c(F)cccc2Cl)noc1C)c1nccs1
+,,,,,0.0,,,,,0.0,,,,,,,CID766823,COc1cc(OC)c(OC)cc1CNc1cc(C)ccc1OC
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID2102805,Cc1cccc(OCc2nnc(SCc3cc(=O)n4cc(Br)ccc4n3)o2)c1
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+,,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,CID1314307,Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccccc2F)o1
+,,,0.0,,,0.0,,,,,,,,,,,CID5309316,Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2
+,,,,,,,,,,,,,,0.0,,,CID1154532,Cc1cc(NC(=O)CSc2nnc(Cc3ccccc3)n2C)no1
+,,,,,,,,,,,,,,0.0,,,CID891810,COc1ccc(OC)c(-n2c(-c3ccccc3)n[nH]c2=S)c1
+,0.0,,,,,,,,,,,,,,,,CID665076,CCCCc1cc(=O)oc2cc(OCc3nn[nH]n3)c(Cl)cc12
+,,,,0.0,,,,,,,,,,,,,CID3236419,CC(C)(C)NC(=O)c1sccc1C(=O)O
+,,,,,,0.0,,,,0.0,,,,0.0,,,CID9579597,N/C(=N\S(=O)(=O)c1ccc(Cl)s1)c1ccccc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID3132050,CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccco2)c1
+,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID3237456,COc1ccc(-c2noc(CCC(=O)Nc3cc(OC)ccc3OC)n2)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1125854,O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID5389664,O=C(O)C1C2C=CC3(CN(Cc4cccs4)C(=O)C13)O2
+,,,0.0,,,,,,,0.0,0.0,,,,,,CID2353728,O=C(Nn1cnnc1)c1ccc(F)c(S(=O)(=O)N2CCCCC2)c1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID3237619,CCC(C)NC(=O)C1CCN(S(=O)(=O)CC)CC1
+,0.0,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,CID653519,CC1Cc2ccccc2N1C(=O)CSc1nc2cc3c(cc2cc1C#N)OCO3
+,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,CID3235737,Cc1nc2ccccc2n1CCC(=O)Nc1cccc(F)c1
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+0.0,,0.0,0.0,,,0.0,0.0,,0.0,0.0,,,,,,,CID665357,COc1cccc(NC(=O)c2ccccc2-c2nc(-c3ccccc3)no2)c1
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+,0.0,0.0,,,,,,,,,,,,,,,CID3236763,O=C(CN1C(=O)COc2ccccc21)NCCN1CCN(Cc2ccccc2)CC1
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+,0.0,,0.0,,,,0.0,0.0,,,,,,,,0.0,CID269224,CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccnc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID870722,O=S(=O)(c1cc(Cl)ccc1Br)N1CCCCC1
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+,,,,,,,,,,,,,,,0.0,,CID3245275,CCCCC(=O)N(c1ccc(OCC)cc1)C1C=CS(=O)(=O)C1
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+,,,,,,,,,,,0.0,,,,,,CID3118270,CC(C)C(=O)NC(Nc1cccc2cccnc12)C(Cl)(Cl)Cl
+,,,,,,,,,,,,,,0.0,,,CID673949,Nc1nonc1C(=O)N1CCCC1
+,,0.0,,,,,,,,,,,,,,,CID5310442,Cc1csc2nc(CCNS(=O)(=O)c3ccc4c(c3)OCCO4)cn12
+,0.0,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID3236440,COc1ccccc1C(=O)N1CCN=C1SCc1cccnc1
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+,,,,,,0.0,0.0,,,,,,,,,,CID3241520,Cc1ccccc1CS(=O)(=O)Cc1ccc(C(=O)N2CCOCC2)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID1346655,Cc1ccc(/C=C2/SC(=S)N(CCC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID2997900,CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nc2ccccc2[nH]1
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2950891,CC(NC(=O)CSc1nc(=O)c2ccccc2[nH]1)c1ccccc1
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+,,,,,,,,0.0,0.0,,,,0.0,,,,CID768892,COc1ccc(OC)c(S(=O)(=O)NC2CCCCC2)c1
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+,,,,,,0.0,,0.0,,,,,,,0.0,,CID3236808,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccc4c(c3)OCO4)c21
+,,,,,,,,,,,,,0.0,,,,CID846392,O=c1oc2ccccc2cc1-c1nc2c(s1)CCc1ccccc1-2
+0.0,,,,,0.0,,,,,,,,,,,,CID3242509,O=C(Cc1ccc(-n2cccc2)cc1)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID702518,CCCc1c(C)nc2c(Br)cccc2c1Cl
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID860211,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SC)o2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID5742500,CC1=CS/C(=C(\N=O)c2csc(C)n2)N1
+,,,,,,,,,,,,,0.0,,,,CID673536,CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2
+,,,,,,,0.0,,,,,,,,,,CID1645,NC(=O)c1cccc(N)c1
+,,0.0,,,,,,,,,,,,0.0,,,CID1242684,COc1ccc2c3c(c(=O)oc2c1OCC(=O)C(C)(C)C)CCCC3
+,0.0,,0.0,,,,0.0,,0.0,0.0,,0.0,,,,0.0,CID663880,Cc1cccc2nc(=S)n(C(=O)c3ccco3)n12
+,,,,,0.0,,,,,,,,,,,,CID673798,O=C(CCc1ccccc1)NCc1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,,,,,,,,0.0,,CID848721,c1ccc(Cc2nnc3sc(-c4cccnc4)nn23)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID3245646,O=C(c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID591492,O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1
+0.0,,,,,,,,,,,,,,,,,CID5111734,COc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3Cl)o2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID648691,CCOC(=O)c1cc2occc2n1CC(=O)NC1CCCCC1C
+0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0,CID2196450,COCCCn1c(-c2ccccc2Cl)n[nH]c1=S
+,0.0,,0.0,0.0,,,,,,,,0.0,,0.0,,,CID664546,CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1
+,,,,,,,,,,,0.0,,,,,,CID870008,C/C(NCCN1CCOCC1)=C(\C#N)C(N)=O
+,,,,,,,,,,,,0.0,,,,,CID5308018,CCC(C)NC(=O)Cn1cc2c(n1)CCC(C)C2
+,,,,,,,,,,,,,0.0,,,,CID937277,Cc1nc2ccccc2nc1OCc1ccc([N+](=O)[O-])cc1
+,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID2963985,COc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3cc(OC)ccc3OC)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2207819,O=C1OC(c2ccccc2)=C/C1=C\N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID15945265,CCN(C(=O)CSc1nnc2c3ccccc3n(CC)c2n1)C1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,0.0,,CID1260938,CCOC(=O)N1CCN(S(=O)(=O)c2cc(OCC)ccc2OCC)CC1
+,,,,,,,,,,,0.0,,,,,,CID1455001,Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1
+,,,,,,,,0.0,,,,,0.0,,,,CID612413,CCCCOc1ccc(C2(C(=O)O)CCCC2)cc1
+0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID803815,Cn1c(Cc2ccccc2)nnc1SCC(=O)NC1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID828460,Cc1cccc(-n2c(C)nc3ccccc3c2=O)n1
+,,,,,,,,,,,0.0,,,,,,CID2866850,CC1(C)CC(=O)C(=CNCCN2CCN(C(=S)Nc3cccc(Cl)c3)CC2)C(=O)C1
+,,,,,,0.0,,,,,,,,,0.0,,CID3244974,CCOC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1
+,,,,,,,,,,,,,0.0,,,,CID981606,S=C(Nc1ccc(Cl)cc1)c1sc(N2CCCCC2)nc1N1CCOCC1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID1811256,CS(=O)(=O)NCCOc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID3241056,CCC(=O)NCCNC(=O)c1c(SC)nsc1SC
+,,,,,,,,,,,,,0.0,,,,CID951892,CCOc1ccc(-n2c(CCc3ccccc3)n[nH]c2=S)cc1
+,,,,,0.0,,0.0,,,,,,,,,,CID768081,c1ccc2cc3[nH]c(CN4CCCCC4)nc3cc2c1
+,,,,,,,,,,,,,,0.0,,,CID15945355,CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1
+,,,,,,,,0.0,,,,,,,,,CID1290352,CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1479108,COc1cccc(Cn2cnc3c(N)c(C)c(C)cc32)c1
+,,,,,0.0,,,,,,,,,,,,CID5344067,Cc1oc2ccccc2c1/C=N/n1cnc2sc3c(c2c1=O)CCCC3
+,,,,0.0,,,,0.0,,,,,,,,,CID3242526,O=C(CSc1nc2ccsc2c(=O)n1NC(=O)c1ccccc1)Nc1nccs1
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,0.0,0.0,CID2999895,CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)c2nccn2C)ccc1Cl
+,,,,0.0,,,,0.0,0.0,,,,,,,,CID661721,O=C(O)CC1SC(Nc2cccc(C(F)(F)F)c2)=NC1=O
+,,,,,,,0.0,,,,,,,,,,CID6419296,CN(C)CCCCCNCCCNC(=O)/C=N/O
+,,,,,,,,,0.0,,,,,,,,CID2205202,O=C(NCCCN1CCCC1=O)Nc1ccc(F)c(Cl)c1
+,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,,0.0,,CID3000214,Cc1nnc(SC(C)C(=O)NCC2CCCO2)n1-c1ccccc1
+,,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID664673,CCCN(CCC)C1CC(=O)N(Cc2ccccc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID660319,O=C(O)c1cc2sccc2s1
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID5308214,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID3241821,CCOC(=O)N1CCN(C(=O)C(CC)n2nc(C)c3sc4ccccc4c3c2=O)CC1
+,,,,,,,,,,,,,0.0,,,,CID4611696,O=C(COC(=O)COc1ccc2ccccc2c1)NC1CCCc2ccccc21
+,,,,,,0.0,,,,,,,,,,,CID5310371,O=S(=O)(NCCc1csc(-c2cccnc2)n1)c1cccs1
+,0.0,,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,,,,CID732359,CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1
+,0.0,,,,,,,,,,,,0.0,,,,CID647985,Cc1nc2ccccc2n1CC(=O)N1CC(=O)Nc2ccccc21
+0.0,,,,,,,0.0,,,,,,,,,,CID5308313,COc1ccc(OC)c(C2=NOC(C(=O)Nc3cc(C)nn3-c3ccccc3)C2)c1
+,,,,,,,,,,,0.0,,,,,,CID2121758,CC(C)CNC(=O)COc1ncnc2ccccc12
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID831684,CCOC(=O)Cc1cc(=O)nc(Nc2nc3ccccc3o2)[nH]1
+,,,,,,,,0.0,,,,,,,,,CID2248430,CCCCNCCCOc1cccc(Cl)c1Cl
+,,,,,,,0.0,,,,,,,,,,CID2936205,CCCCOc1ccccc1NC(=O)CC1S/C(=N/CC)N(CC)C1=O
+0.0,0.0,,,,0.0,,,,,,,,,,,,CID5308860,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccc4)CC3)sc21
+,,,,,,,,,,,0.0,,,,,,CID2848444,C/C(=N\Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccc([N+](=O)[O-])c1
+,,,,0.0,,,,0.0,,,,,,,,,CID655483,Cc1ccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1
+0.0,,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,CID2264863,O=C(CN1CCN(c2ccccc2F)CC1)Nc1ccccc1F
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID2966099,COc1ccc(OC)c(NC(=O)C2C3CC4OC(=O)C2C4C3)c1
+,,,,,,,,,,,,,0.0,,,,CID3197611,COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCc2ccccc21
+0.0,0.0,,,0.0,,,,,,1.0,,,,,,,CID4621090,Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc(Cl)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID2998576,COCCn1cnc2c1c(=O)n(CC(=O)c1ccc3c(c1)OCCO3)c(=O)n2Cc1ccccc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3235979,O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1F
+,,,,,0.0,,,,,,,,,,,,CID2852162,O=C(Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O
+,,,,,,,,,,,,,0.0,,,,CID3138836,CCc1nnc(NC(=O)CSc2nnc(-c3cccnc3)n2C)s1
+0.0,0.0,,,,,,,0.0,,,0.0,,,,,,CID660453,CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CCN1CCc2ccccc2C1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2533209,Cn1c(SCC(=O)NC2CC2)nnc1C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID2123923,Cc1ccc(-c2csc3ncnc(NS(=O)(=O)c4ccc(Cl)cc4)c23)cc1
+,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,,,CID2937875,Cc1cccc(C)c1OCC(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1C
+,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,,,CID661028,CCCCN(C(=O)CCC(=O)O)C1CC(=O)N(c2ccc(OCCC)cc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2623068,CC(C)NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1923211,N#Cc1ccc(Oc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C#N
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID5389522,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1ccccc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1149220,COC(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID2905953,CC1CCN(C(=O)CN2C(=O)c3cccc4cccc(c34)C2=O)CC1
+,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,0.0,,CID3245948,COc1ccc(-c2noc(CCC(=O)Nc3nc4ccccc4s3)n2)cc1
+0.0,0.0,0.0,,0.0,0.0,0.0,,,,0.0,,0.0,0.0,,,,CID2115888,Cc1nc2ccc(NC(=O)c3c(-c4ccccc4)noc3C)cc2s1
+,,,,,,,,,,,,,0.0,,,,CID2210189,O=C(CCc1ccccc1)NC(=S)Nc1ccccc1Br
+0.0,,,,,0.0,,,,,,,,,,,,CID5309741,Cn1c(C(=O)NC2CCCC2)cc2c(=O)n(C)c3ccccc3c21
+,,,,,0.0,,,,0.0,,,,,,,,CID3238541,COCCCNC(=O)C1CC(=O)N(C2CCCC2)C1
+0.0,,,,,,,,,0.0,,,0.0,,,,,CID5309404,Cn1cccc1Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1-c1ccc(F)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID3207680,Cc1cccc2cc(C#N)c(SCC(=O)NCC3CCCO3)nc12
+,,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,CID3236738,CCOC(=O)c1cccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5310809,CC(C)CC(C(=O)C(C#N)=C1Nc2ccccc2N1)N1C(=O)c2ccccc2C1=O
+,0.0,,,,,,0.0,,,,,,,,,,CID648699,CCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,,,,,,0.0,,CID3240274,O=C(Nc1ccc(Br)cc1F)c1sccc1-n1cccc1
+,,,,,,,,0.0,,,,0.0,,,,,CID651709,CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID725463,O=C(Oc1ccc(Nc2ncnc3ccccc23)cc1)c1cccnc1
+0.0,,,,,,,,,,,,,,,,0.0,CID658905,COC(=O)CN1C(=O)C2(OCCCO2)c2cc(Br)ccc21
+,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,CID3244689,CC(C)C(=O)N1c2ccccc2NC2=C(C(=O)CCC2)C1c1ccc(N(C)C)cc1
+,,,,,,,,,,,0.0,,,,,,CID5216500,O=C(CCS(=O)(=O)c1ccc(Br)s1)NC1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID1298000,Cc1ccccc1OCC(=O)OCC(=O)c1ccc(OC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3212989,CC(=O)c1ccc(-n2nnnc2SCC(=O)NNC(=O)c2ccco2)cc1
+,,,0.0,,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID2918172,CN1C(=O)C(O)(CC(=O)c2ccc3c(c2)OCO3)c2ccccc21
+,,,,,,,,,0.0,,,,,0.0,,,CID660374,COCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1078661,Cc1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID972424,O=C(COc1ccc(Cl)cc1[N+](=O)[O-])N1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID707778,COc1ccc(-c2cc(=O)oc3cc4occ(C)c4cc23)cc1
+,,,,,,,,,,,0.0,,,,,,CID7817335,COc1cc(OC)cc(C(=O)NC(C(=O)NC23CC4CC(CC(C4)C2)C3)C(C)C)c1
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID664264,CCCCOCCCNC(=O)NC(C(=O)OC)C(C)C
+,,,,,,,,,,,,,,0.0,,,CID1435030,CCc1nc(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)c2ccccc2n1
+,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,CID70556,O=C1NCN(c2ccccc2)C12CCNCC2
+,,,0.0,,,,0.0,,,,,,,,,,CID725348,O=C(CNc1ccccc1)Nc1ccc(F)cc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,0.0,CID717217,O=C(Nc1nccs1)c1ccc(COc2ccc(Cl)cc2)o1
+,0.0,,,,,,,,,,,,,,,,CID3242405,Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCN(C)CC4)C3)sc2n1
+,,,,0.0,,,,,,,,,,,0.0,,CID650360,CC1CCCC(C)N1C(=O)CSc1nnc(C2CCCCC2)o1
+,,0.0,,,,,0.0,,,,,,0.0,,0.0,,CID653470,COc1cccc(-n2c(COc3ccccc3C)nnc2SCC(=O)O)c1
+,0.0,,,,,,,,,,,,,,,,CID2915717,COc1ccc(C2CC(=O)C(=CNCCN3CCN(C(C)=O)CC3)C(=O)C2)cc1OC
+,,,,,,,0.0,,,,,0.0,,,,,CID5310446,COc1ccc(C(=O)NCc2cn3ccsc3n2)cc1OC
+,,,,,,,,,,,,,,,0.0,,CID2997588,CC(=O)OCC(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,,0.0,0.0,CID2535506,CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1
+,,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,CID654454,CC(C)CNS(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,,,,,,0.0,,,CID3218567,CCOCCCNC(=S)N1CCC(NC(=O)c2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2474394,CCCn1c(=O)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(C)cc3)nc21
+,,,,,,,,,,,,,,0.0,,,CID1493979,CN(C)c1ccc(C(=O)NC2(N3CCC3=O)CCCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID934533,O=C(NCC(F)(F)F)Nc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID3740917,Cc1[nH]n(-c2nc(=O)cc(-c3ccccc3F)[nH]2)c(=O)c1CCO
+,,,,,,,0.0,,,,,0.0,,,,,CID5309697,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N2CCc3ccccc32)c(C)o1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID3241105,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCOCC3)c21
+,,,,,,,,,,,,,0.0,,,,CID2869108,CCNC(=S)N(Cc1ccc2c(c1)OCO2)C1CC(=O)N(c2ccc(F)cc2)C1=O
+,0.0,,0.0,,,,,0.0,,,,0.0,,,0.0,,CID3239149,COC(=O)C(CC(C)C)NC(=O)CSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1
+,0.0,,0.0,,,0.0,,0.0,,,0.0,,,,0.0,,CID653864,COCCCn1c(SCC(N)=O)nnc1-c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID250491,O=C1C2CC=CCC2C(=O)N1Cc1ccccc1
+0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID645065,Cc1cccc(Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)c1
+,,0.0,,,,,,,0.0,,,,,,,0.0,CID3239078,O=C1CCC(C(=O)N(c2ccccc2)C2(C(=O)NC3CCCCC3)CCCCC2)N1
+,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,CID970559,COC(=O)c1ccccc1NC(=O)Nc1cnccn1
+,,,,,,,,,,0.0,,,,,,,CID9550394,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCCc3ccccc3)c21
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID828242,Cc1ccc(-n2cnc3scc(-c4cccs4)c3c2=O)cc1
+0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,0.0,,CID866494,COc1ccc(OC)c(Nc2ncnc3c2cnn3-c2ccccc2)c1
+,,,,,,,,,0.0,,,,,,,,CID648953,COc1ccc2[nH]c(=O)c(CN(Cc3nnnn3CCc3ccccc3)CC3CCCO3)cc2c1
+,0.0,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,CID664784,COn1c(SCc2cccnc2)nc2ccccc2c1=O
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID1165981,COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCOCC3)n2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID870479,Cc1cc(Cl)ccc1OCc1nc(-c2ccncc2)no1
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID2352857,O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1F)N1CCCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID2468068,CSCCC(NC(=O)CCNC(C)=O)c1nc2ccccc2[nH]1
+,,,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,CID648668,COC(=O)Cc1nnc(N)s1
+,,,,,0.0,,,,,,,,,,,,CID1101084,O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccccc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3160167,CCCCOc1ccccc1-c1cc(C(=O)O)[nH]n1
+,,0.0,,,,,,,0.0,,,,,,,,CID4753639,C=CCn1c(C(C)NC(=O)COC)nc2ccccc21
+,,,0.0,,,,0.0,,,,,,0.0,,,,CID647722,c1cc2nncn2nc1N1CCCC1
+,,,,,,,,,0.0,,,0.0,,,,,CID3236347,CC1Cc2ccccc2N1C(=O)CCS(=O)(=O)c1cccc2nonc12
+,,,,,,,,,,,,,,0.0,,,CID5389670,CCN(CC)CCCN/C(C)=C1\C(=O)NC(=O)N(c2ccc(C)cc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID11839273,COCCCN1C(=O)/C(=C/c2cc(OC)c(N3CCCC3)cc2OC)S/C1=N/c1ccccc1
+,,,0.0,,,,,,,,0.0,,0.0,,,,CID662013,Cc1nc2c(=O)n(C)c(=O)[nH]c2n1Cc1ccccc1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,0.0,,0.0,,,CID656058,COc1cc(NC(=O)Cn2nnc(-c3ccncc3)n2)cc(OC)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID1478928,Fc1ccc(-c2ccnc3nc(-n4cccc4)nn23)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID2879028,COc1ccccc1NC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC
+,,,,,,,,,,,,1.0,1.0,1.0,,0.0,CID2201551,CCCC(=O)Nc1ccc(C(=O)n2nnc3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID1928152,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID659067,COc1ccc(-n2c(N)c(C(=O)NCC3CCCO3)c3nc4ccccc4nc32)c(OC)c1
+,,0.0,,,,0.0,0.0,,,,0.0,,,,,,CID660136,COCCNc1cc(C)c(C#N)c2nc3ccccc3n12
+,,,,,,,,,,0.0,,,,,,,CID2501099,Cc1cccc(OCc2nc(-c3ccccn3)n[nH]2)c1
+,,,,,,,,,,,0.0,,,,,,CID1008368,COc1ccc(C(=O)n2c(SC)nc3cc4c(cc32)OCCO4)cc1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID897946,O=C(COc1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1
+0.0,,,,,,,0.0,,,,0.0,,,0.0,,0.0,CID2997950,COc1ccc(C(CNC(=O)c2cc(=O)[nH]c3ccccc23)N2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2204303,O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)Nc2ccc(F)cc2)cs1
+,,,,,,,,,,,,,0.0,,,,CID934473,c1ccc2c(CSc3nnc(-c4ccncc4)o3)cccc2c1
+,,,,,0.0,,,,,,,,,,,,CID11958454,CCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1
+,,,,,,,0.0,,,,,,,,,,CID5310044,CCOCCn1c(CN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C
+0.0,0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,CID1391485,CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCC(C)CC2)c1O
+,,,,,,,,,,,,0.0,,0.0,,,CID5310511,Cn1c(=O)c2c(SCC(=O)c3ccccc3)nc(C3CC3)nc2n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID5766987,O=C(CCN1CCOCC1)NNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1
+0.0,0.0,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,CID866702,Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2nccs2)c1
+,0.0,0.0,,0.0,,0.0,,,,,,,,,0.0,,CID651972,Cc1ccc(-c2ccc(SCC(=O)Nc3nonc3C)nn2)cc1
+,0.0,,,,,,,,,,,,,,0.0,,CID5742501,C/C(N)=C(/C#N)C(=O)COC(=O)COc1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID2981518,Cc1ccc(N2C(=O)C(CC(=O)Nc3cccc(F)c3)N(CCc3ccncc3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1185309,CCOc1ccc(NC2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)cc1
+,,,0.0,,,,,,,,,,,,,,CID651936,Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccco3)cc2N)cc1
+,,,,,,,,,,0.0,,,,,,,CID775174,COc1cc(C)c(CNC2CCCCC2)cc1C
+,,,,,,,,0.0,,,,,,,,,CID2928951,O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCN(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1201213,O=C(O)CCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S
+,,,,,0.0,0.0,,,,,,,,,,,CID5307128,Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID781140,COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID1836620,c1ccc(-c2cc(CSc3nc4ccccc4[nH]3)on2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1482495,Cn1c(-c2sccc2OCc2ccccc2)n[nH]c1=S
+,,,,,,,,,0.0,,,,0.0,,,,CID686951,COc1ccc(CCNc2ccc(C)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2230025,Cc1ccc(SCc2ccc(C(=O)NCc3ccncc3)cc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1448315,C1CCc2c(nc3nnnn3c2NC2CCCC2)C1
+,,,,0.0,,,,,,,0.0,,0.0,0.0,,,CID2191016,CCOC(=O)SC1=N/C(=C\c2ccc(N(C)C)cc2)C(=O)S1
+0.0,,,0.0,,,,,,0.0,0.0,0.0,,,,,,CID1230951,COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID6737494,CCCCCCC1=Cc2c/c(=C3/NN=C(c4ccccc4)O3)c(=O)oc2=CC1=O
+0.0,,,,,,,,0.0,,,,,0.0,,0.0,,CID854669,CCOC(=O)CSc1nnc(-c2cccc(Br)c2)o1
+,,,0.0,,,,,,,,,,,,,,CID1918147,O=C(OCCCc1ccncc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,CID664891,CCOC(=O)CNC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC
+0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0,CID672421,Cc1nn(-c2cc(Cl)ccc2N)c(=O)c2ccccc12
+,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID645314,CSc1nc(C)c2cc(C)oc2n1
+,,,,,,,,,,,,,,0.0,,,CID27022,COc1ccc(C(=O)NNc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2334966,Cc1cnc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cn1
+,,,,,,,,,,,,,,0.0,,,CID694497,O=C(Nc1ccc(Br)cc1)N1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID767097,CCOc1nc(NCCN2CCOCC2)nc(NC(C)C)n1
+,,,,,,,,,,,,,0.0,,,,CID2178805,CCOC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID756106,CC(C)Oc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID666413,CCC1(CC)Cc2ccccc2-c2[nH]c(CN3CCOCC3)nc(=O)c21
+,,,,,,0.0,,,,,,,,,,,CID665976,N#Cc1cc2c(=O)n3ccccc3nc2n(CCN2CCOCC2)c1=O
+,,,,,,,,,,,0.0,,,,,,CID1230985,COc1ccc(CC(=O)Nc2ccc(C(=O)NCC(C)C)cc2)cc1
+,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,CID975806,CC(=O)c1cccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)c1
+0.0,,0.0,,,,,,0.0,,,0.0,,,,,,CID1076034,COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccco2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID1474259,Clc1ncccc1-c1nc2ccccc2n1Cc1ccccc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID3239200,CCC(C)NC(=O)C1CCN(S(=O)(=O)N2CCCC2)CC1
+0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,0.0,,CID2219880,CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccccc1
+,,0.0,,,,,0.0,,,,,,,,,,CID1129999,COc1ccc(OC)c(N(CC(=O)O)S(=O)(=O)c2ccc(OC)c(OC)c2)c1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID2954390,CCN1C(=O)C(CC(=O)NC2CCCCC2)N(CC)C1=O
+,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID2889858,CNC(=O)C(Sc1ccccc1)c1ccccc1
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID992505,CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4c5c(cccc35)C(=O)N4)cc12
+,0.0,,,,,0.0,,,0.0,,0.0,0.0,,,,,CID766535,COc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID784187,CCOC(=O)Cc1csc(NC(=O)c2ccc3c(c2)OCO3)n1
+,,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,CID659431,CC1(C)Cc2ccccc2-c2nnc(-c3ccccn3)n21
+,0.0,,,,,,,,0.0,,0.0,,0.0,,,,CID1362037,COc1cc(NS(=O)(=O)c2ccc(F)cc2)c(OC)cc1NC(C)=O
+,,,,,,,,,,,,,,0.0,,,CID723631,CN(C(N)=S)c1ccccc1
+,,,,0.0,0.0,,,0.0,,,,,,,0.0,0.0,CID3244792,COc1cc(OC)c(C2N(c3ccccn3)C(=O)C3CCCN32)cc1OC
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2958954,CC(C)c1ccc(N2CC(C(=O)Nc3nccs3)CC2=O)cc1
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+,0.0,,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,CID645373,COCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1
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+,,,,,,,,,,,0.0,,,,,,CID2467184,CC(C)NC(=O)CSCc1c(Cl)cccc1Cl
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+,0.0,,0.0,,0.0,,0.0,,,,,,,,,,CID762734,O=C(c1ccc(-c2ccccc2)cc1)N1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID1481460,CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1
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+,,,,,,,0.0,,,,,0.0,,,0.0,,CID659044,COC(=O)CNC(=O)c1c(C)cc(=O)oc1C
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+,,,,,,,,,,,,,0.0,,,,CID3237685,O=c1cc(N2CCc3ccccc32)[nH]c(=O)n1Cc1ccc(F)cc1
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+,0.0,,0.0,,,,,,,,,0.0,0.0,,,,CID663531,CCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID654691,CCc1cc2c(NCCC(=O)O)nc(C)nc2s1
+,0.0,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,0.0,CID920392,Cc1nnc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)s1
+0.0,,,,,,,,,,,,,,,,,CID3240791,Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1
+,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,0.0,CID665845,CCCOc1ccc(Cc2nn3c(=O)/c(=C/c4ccco4)sc3nc2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID678302,Cc1ccc(/C=C2\OC(=O)c3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID873872,COC(=O)c1sccc1NC(=O)c1cccc(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID3265648,Cc1ccc(C)c(NC(=S)NC(NC(=O)Cc2ccccc2)C(Cl)(Cl)Cl)c1
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+,,,,,,,,,,,,,0.0,,,,CID988097,Cc1cccc(NS(=O)(=O)c2ccc3c(c2)Cc2cc(S(=O)(=O)Nc4cccc(C)c4C)ccc2-3)c1C
+0.0,,,,,,,,,0.0,,0.0,0.0,,,,,CID649868,O=C(NCc1ccco1)C(c1ccco1)N(C(=O)Cn1nnc2ccccc21)c1ccc2c(c1)CCC2
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID665121,CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3CC(=O)Nc2cccc(Cl)c2)CO1
+,,,,,,,,,0.0,,,,,,,,CID851112,CC1(C)CCc2nc(SCc3ccccc3)c(C#N)cc2C1
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID2216508,O=C(COc1ccc2ccccc2c1Br)Nn1cnnc1
+,,,,,,0.0,,,0.0,,,,,,,,CID660591,Cc1c(C(=O)O)sc(=S)n1-c1ccccc1
+,,0.0,,0.0,0.0,,,,,,,,,,,,CID3240152,COc1ccc(OC)c(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID723828,Cc1ccc(OC(=O)CCN2C(=O)c3ccccc3C2=O)cc1C
+,,,,,,,,,,,,,,,0.0,,CID5738789,COc1cccc(C2CC(c3ccc(Cl)cc3Cl)N=C3N=C(N)NN32)c1
+,,,,,,,,,,,,,,0.0,,,CID1224709,Cc1onc(-c2ccccc2)c1C(=O)N/N=C/c1ccc([N+](=O)[O-])s1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID3242681,Cc1oc(-c2ccccc2Cl)nc1CSCC(=O)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID694393,Cc1c(-c2ccc(C=O)o2)ccc([N+](=O)[O-])c1C
+,,,,,0.0,,,,,,,,,0.0,,,CID732475,O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1
+,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID1164849,O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID2883763,CCCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC)cc1
+,,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID651127,COc1cc2cc(C(c3nnnn3C3CCCC3)N3CCCCC3)c(=O)[nH]c2cc1OC
+,,,,,0.0,,,0.0,,,,0.0,0.0,,,,CID803418,CC(=O)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID3152491,Cn1c(=O)c2c(nc(SCCCC#N)n2Cc2ccccc2F)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID777957,CC(C)COC(=S)Nc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2864330,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccnc1
+,,,,,,,,,,0.0,,,,0.0,,,CID2617216,CCOCCCn1c(SCC(=O)NC(C)C)nc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1931116,O=C1N=C(N2CCN(c3cccc4ccccc34)CC2)S/C1=C/c1cccs1
+,,,0.0,,,,,,,,,,,,,,CID3238726,CS(=O)(=O)N1CCCC(C(=O)N2CCOCC2)C1
+,,,,,0.0,,,,,0.0,0.0,,,,,,CID692153,CC(=O)Nc1c(C(=O)N2CCCCCC2)cnn1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID119683,Cc1cccc(NCCC#N)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID5405711,Cc1cc(N/C=C2\C=C(Cl)C=CC2=O)no1
+,,,,,0.0,,,,,,,,,,,,CID786684,Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2878813,Cc1ccc(N2C(=O)CC(Sc3ncn[nH]3)C2=O)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3243012,CC(=O)Nc1ccc(S(=O)(=O)NCCc2csc(C)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5310621,O=C1C(=O)N(CCCn2ccnc2)C(c2cccnc2)/C1=C(/O)c1ccc(Br)cc1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID647155,COc1cc(C(=O)N2CCN(c3ncnc4sc(C)c(C)c34)CC2)cc(OC)c1OC
+,,,,0.0,0.0,,,,,,,0.0,,,,,CID3236550,CCN(CCNC(=O)C1CC(=O)N(CCc2ccccc2)C1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4387580,CC1CCCC(NC(=O)COC(=O)Cc2ccccc2)C1C
+,0.0,0.0,,,,,0.0,,,0.0,,,,,,,CID1207987,c1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1
+,,,,,,,,,,,,,,,0.0,,CID3239214,CN(C)C(C(=O)NC1CCCCC1)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID893502,Cc1nc2cc(NC(=O)N3CCCCC3)ccc2n1C
+,,,,,,,,,0.0,,,,,,,,CID2849091,COc1cc2c(cc1OC)C(=S)NC(C)(C)C2
+,0.0,,,,,,,,,,,,,,,,CID648830,c1ccc(-n2c(-c3ccncc3)nnc2-c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3701529,O=C(O)CCCN(Cc1cccc(Br)c1)S(=O)(=O)c1ccc(F)cc1
+,0.0,,,,,,,0.0,0.0,,,,,,,,CID2998891,Nn1cc(-c2ccccc2)nc1SCC(=O)NC1CCS(=O)(=O)C1
+,,,,,0.0,,,,,,,,,,,,CID742305,CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID1475818,CC(C)(C)C(=O)OCc1cn(-c2ccc(Cl)cc2)nn1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID756749,CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2182487,CN(CCOCCOc1ccc2ccccc2c1)Cc1ccccc1
+,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,,,CID2841036,c1nnn(C23CC4CC(CC(C4)C2)C3)n1
+,,,,,,,,,,0.0,,,,,,,CID660623,Cc1c(NC(=O)C(CC(=O)O)NCc2ccco2)c(=O)n(-c2ccccc2)n1C
+,0.0,,,,,,,,,,,0.0,,,0.0,0.0,CID1536758,c1cncc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1
+,,0.0,,,,,,,,,,,,,,,CID4339369,CC(C)(C)SCCNC(=O)CSc1ccccc1
+,,,,,,,,0.0,0.0,,,,0.0,0.0,,,CID919836,Cc1cc(=O)oc(C)c1C(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,0.0,0.0,,,,CID3236483,COc1ccc(S(=O)(=O)N2CCCN(CC(=O)C(C)(C)C)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3245934,O=C(NCc1ccccn1)C1CCCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)C1
+,,,,,,,,,0.0,0.0,,,,,,,CID1209910,COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID649156,CCN1CCN(C(=O)C2=C(C(=O)O)CCCC2)CC1
+,,,,0.0,,,,0.0,,0.0,,,,,,0.0,CID655743,COc1ccccc1CN(CC(=O)NCC1CCCO1)C(=O)CNS(=O)(=O)c1ccc(C)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID3238977,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)Nc3cc(OCC)ccc3OCC)ccc21
+,,,,,0.0,0.0,,,,,,,,,,,CID5042204,Cc1cccc(C)c1NC(=O)C1(NC(=O)c2cnccn2)CCCCC1
+,,0.0,,,,,,,,,,0.0,,,,,CID609180,Cc1cnnc2c1-c1no[n+]([O-])c1CC2
+0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,,,CID1247094,COC(=O)c1c(-c2cccnc2)csc1NC(=O)c1cc(C)on1
+,,,,,,,,,,0.0,,,,,,,CID3749455,COc1ccc(-c2cc(C3CCN(c4ncccc4[N+](=O)[O-])CC3)[nH]n2)cc1
+0.0,0.0,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0,CID660997,CC(=O)Nc1ccc(-n2c(C)nc(=O)c(-c3ccccc3)c2C)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID646517,COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID3241509,Cc1c(NC(=O)c2cc(-c3cccs3)on2)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,,,0.0,,,,,,,,CID1258043,CC(=O)Nc1cccc(OC(=O)N2CCCCC2)c1
+0.0,0.0,,0.0,,,,,,,,,,0.0,,,0.0,CID797032,O=C1c2ccccc2N(Cc2ccc(Cl)cc2)C2=NCCN12
+0.0,0.0,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,CID660795,N#Cc1ccc(-c2cccnc2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2
+0.0,,,,,,,,,,,,,,,0.0,,CID235809,O=C(C1CCCCC1)N1CCN(C(=O)C2CCCCC2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2857434,O=C1NCCCC1C(=O)N/N=C/c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID9550606,Cc1ccccc1NC1=C(Cl)C(=O)OC1OC(=O)c1ccco1
+,,0.0,0.0,,,,,,,,,,,,0.0,0.0,CID971957,Cc1ccc(N2CCN(C(=O)N3CCCC3)CC2)cc1Cl
+,,,,,,0.0,,,0.0,,,,,0.0,,,CID2945500,Cc1ccc(C(=O)CC2(O)C(=O)N(Cc3ccccc3)c3ccccc32)o1
+,,,,,,,,,,,,,,0.0,,,CID2548788,COc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)cc1OC
+,,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID714146,Cc1ccc(Nc2nc(C3CC3)cs2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID3102518,COc1ccc(/C=N/NC(=O)C(=O)Nc2ccccn2)cc1OC
+0.0,,,0.0,,0.0,,,0.0,0.0,,,,0.0,,0.0,,CID3238433,CCOC(=O)c1c(C)c(C(=O)NCc2ccco2)c(C)n1Cc1ccccc1
+,,0.0,,,,,,,,,,,,,,,CID645094,COc1cc(C)nc(N2CCC(C(=O)NC3CCCCC3)CC2)n1
+,,,,,,,,,,,0.0,,,,,,CID2112302,CCc1ccc(C(=O)CSc2nc(=O)c(C)n[nH]2)cc1
+,,,,,,,,,,,,0.0,,,,,CID654112,Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3cnccn3)c3nnnn3c2cc1C
+,,,,,,,,0.0,,,,,,,,,CID688945,CCOc1ccc2oc(=O)cc(C)c2c1
+0.0,,,,,,,,,,,,,,,0.0,,CID3290432,Cc1ccc2c(c1)C(c1ccccc1)N(C(=O)c1ccc(Br)o1)CC(=O)N2
+,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,,CID3237344,CCC(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12
+,,,,,0.0,,,,,,,,,,,,CID3848800,C=CCN1/C(=N/C(=O)CCC(=O)O)SC2CS(=O)(=O)CC21
+,,,,,,,,,,,,,0.0,,,,CID1290714,Nc1ccccc1C(=O)OCc1ccc([N+](=O)[O-])cc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2963060,O=C1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)C(c2ccccc2)O1
+,,,,,,,,0.0,,,,,0.0,,,,CID1071220,CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCOCC3)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1363220,C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)SC1=S
+,,,0.0,,,,,0.0,,,,0.0,0.0,,,,CID666937,COc1ccc(-c2noc(CN3C(=O)c4ccccc4C3=O)n2)cc1
+0.0,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,,,CID2200936,COc1ccc(-c2nc(SC)n(S(=O)(=O)c3ccccc3)n2)cc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID649688,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccccc1Cl
+,,,0.0,0.0,,,0.0,,,0.0,,,0.0,,,,CID646071,CC(=O)Nc1nc(=O)c2ccccc2s1
+,,,,,,,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,,CID2433682,Cc1noc(C)c1COC(=O)c1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID1165566,C/C(=N\NC(=O)c1ccc(Br)cc1)C1C(=O)c2ccccc2C1=O
+,,,,,,0.0,0.0,,,,,,,0.0,,,CID666887,CC(C)C(NC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1)C(=O)O
+,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,,CID3245590,O=C(c1sccc1-n1cccc1)N1CCCC1
+,,,,,,,,,,0.0,,,,,,,CID864965,COc1ccc(-n2c(SCC(N)=O)nnc2-c2cccnc2)cc1
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID1249916,CCN(CC)C(=O)CN1C(=O)C2(OCC(C)(c3ccccc3)CO2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1711492,Nc1nc(SCC(=O)c2cc3ccccc3o2)n[nH]1
+,,,,,,,0.0,,,,,,,,,,CID5389765,COCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1cccnc1
+,,0.0,0.0,,,,,,0.0,,,,,,,,CID870979,O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4652039,CCCCNC(=S)N1CCN(c2ccccc2Cl)CC1
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+,0.0,,,,,,,,0.0,0.0,,,,,,,CID654588,O=C(Cn1nnc(-c2ccccc2F)n1)Nc1cccc2ncccc12
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+,,,,,,,,,,,,,0.0,0.0,,,CID678577,Cc1ccccc1Cn1cnc2ccccc2c1=O
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+,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,0.0,CID664552,O=C(c1ccc(=O)oc1)N1CCCc2ccccc21
+,,0.0,,,,,,,,,,,,,0.0,,CID672352,S=C(c1cccs1)N1CCCC1
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID664440,CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccco2)/c1=N/C(=O)c1cccnc1
+,,,,,,0.0,,,,,,,,,0.0,,CID3240214,COc1cccc(-n2nnc3c(=O)n(Cc4ccc(Br)cc4)cnc32)c1
+,,,,,0.0,,,,,,,,,,,,CID1484457,Cc1ccc(C(=O)Nc2c(C)cc(-c3ccc(Cl)cc3)oc2=O)cc1
+0.0,,,,,,,,0.0,,,,,,0.0,0.0,0.0,CID2199831,Brc1c(OCCOCCn2cncn2)ccc2ccccc12
+,,,,,,,,,,,,,,,0.0,,CID3239487,CCOC(=O)N1CCC(N(CCCOC)C(=O)Nc2ccc(CC)cc2)CC1
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID655393,CCOC(=O)CN(C(=O)CSc1nnc(COc2ccc(OC)cc2)n1C)c1ccccc1
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+,,0.0,,,,,,,,,,,,,,,CID3448473,Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
+,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,CID2149365,COc1cccc2c(=O)n(CC(=O)NC3CCCC3)ccc12
+,,,,,0.0,,,,,,,,0.0,,,,CID1327115,COc1cccc(-c2cc3c(=O)n(-c4ccccc4)c(=S)[nH]c3s2)c1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,CID3239510,CCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC
+,,,,,,,,0.0,,0.0,,,,,,,CID2231188,Cc1ccc2nc(-c3ccc(Br)o3)oc(=O)c2c1
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID3242538,O=C1NCCCN1Cc1ccc(F)cc1Cl
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID658527,CCCCOc1ccccc1C(=O)NCCCC(=O)O
+,,,,,0.0,,,,,0.0,0.0,,,0.0,,,CID1397551,Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccccc1Cl
+,0.0,,,,0.0,0.0,,,,,0.0,,,,0.0,,CID645846,N#Cc1c(NC(=O)CSc2nnnn2C2CCCCC2)sc2c1CCCC2
+,,,,,,,,,,0.0,,,,,,,CID3571647,CCOc1ccccc1-n1c(N)c(C(N)=O)sc1=S
+,,,,,,,0.0,,,,,,,,,,CID2208923,Cn1c(=O)c2ncn(CC(=O)NCCOc3ccccc3)c2n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID872817,O=C(O)COc1ccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)cc1
+0.0,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,CID1292481,Cn1c(SCC(=O)NC2CCCCCC2)nnc1-c1cccs1
+,0.0,,0.0,,,0.0,,0.0,,0.0,,0.0,,,,0.0,CID2226955,COc1ccc(C(=O)Nn2cc3c(c2-c2ccccc2)c(=O)n(C)c(=O)n3C)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2091344,CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12
+,,,,,,,,0.0,,0.0,,,,,,,CID1925774,Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1
+,,,,,,,,,,,,,0.0,,,,CID948520,Cc1ccc2occ(/C=N/c3ncn[nH]3)c(=O)c2c1
+0.0,,,,,,,,0.0,,,,,,,,,CID2945773,O=C1N(c2ccccc2)C2CS(=O)(=O)CC2N1c1ccc(Br)cc1
+,,,,,,,,0.0,0.0,,0.0,,,0.0,,,CID2866200,COc1ccc(CCNC2CC(=O)N(CCc3ccc(OC)c(OC)c3)C2=O)cc1
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID5770775,CC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)cc1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID3240077,O=c1c2ccccc2nc(-c2cccc(Cl)c2)n1O
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+,,,,,0.0,,,,,,,,,,,,CID9585630,Cc1ccccc1CC1SC(N/N=C/c2ccc(N(C)C)cc2)=NC1=O
+,,,,,0.0,,,,,,,,,,,,CID2829285,CC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1cccc([N+](=O)[O-])c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2921570,CC1CCCN(C(=O)C23CCC(C)(C(=O)C2)C3(C)C)C1
+,,,,,,,,,,,0.0,,,,,,CID2963750,COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)c3)nc2c1
+,0.0,,,,,,,,,0.0,,,,,,,CID659685,CC(C)C1Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nncn32)CO1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,0.0,CID3239680,CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1C
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID3244938,O=C(CCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCc2ccccc2C1
+,,0.0,,,0.0,,0.0,,,,,,,,0.0,,CID652110,COC(=O)CSc1nc(C(C)C)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2888270,CC1CCCC(C)N1C(=O)COc1ccc2ccccc2c1
+,0.0,,,,0.0,,,,,,,,,,0.0,,CID2334885,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID12005093,Cc1ccc(C/N=c2\c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1
+,,,,,,,,,,,,,0.0,,,,CID665036,COc1cc(OC)c(N2CC34C=CC(O3)C(C(=O)O)C4C2=O)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID3236998,C=C(C)Cn1c(CCNC(=O)CC)nc2ccccc21
+,,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID2093684,Cc1ccc(NC(=O)COC(=O)CN2CSCC2=O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID9550647,CCOC(=O)c1c(C=O)c(C)n(Cc2ccc(C)cc2)c1C
+,,0.0,,,,0.0,,,,,,,,0.0,,,CID659800,CCCCC(C(=O)O)C(C)CC(=O)Nc1cccc(C(=O)O)c1
+,,,,,,,,,,0.0,,,,,,,CID752361,Cc1ccc(-c2noc(CN3CCCCC3)n2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3241451,Cc1ccc(CN2C(=O)CCC2C(=O)NCC2CCCO2)cc1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,0.0,0.0,CID653169,Cc1cc(C)c2cc(CN(CCO)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,,,CID1333629,Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1
+,,,,,0.0,0.0,,,,,,,,,,,CID2415654,C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12
+0.0,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID666135,N=c1c2c(-c3ccccc3)c(-c3ccccc3)oc2ncn1CCN1CCOCC1
+,,,,,,0.0,,,,,,0.0,,,,,CID5308719,CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID1045078,Cc1ccc(NC(=O)C2(N(CC(C)C)C(=O)Cn3nnnc3N)CCCCC2)cc1
+,,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID615629,CCCCC1CC1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O
+,,,,,,,,,,,,,0.0,,,,CID5296270,CCn1cc(Cl)c(C(=O)Nc2ccc3c(c2)OCCO3)n1
+0.0,,,,,,0.0,0.0,,,0.0,0.0,,,,,,CID657560,Cc1c(NC(=O)CCC(=O)N2CCCCC2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID1351137,CCOc1ccccc1N(C(C)=O)S(=O)(=O)c1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID665521,Cc1ccc(-c2c(C)c(-c3ccc(F)cc3)nc(N)c2C#N)o1
+0.0,,,,,,,,,,,,,,,,0.0,CID648531,CCC(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl
+,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,0.0,,CID660286,C=CCN1C(=O)CC(C(=O)NC)S/C1=N\c1ccc(C(=O)OCC)cc1
+,0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,CID644608,Cc1cccc(-n2c(SCC(N)=O)nnc2-c2ccccn2)c1C
+,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,,,CID711236,CCOc1ccc(NC(=O)c2ccco2)cc1
+,0.0,,,,,,,,,,,,,,,,CID660403,Cc1nnc(SCC(=O)Nn2cnnc2)s1
+,,,,,,,,,,,0.0,,,,,,CID979489,Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)CC1
+0.0,0.0,0.0,,,,,,,,,,,,,,0.0,CID5309185,O=C(Cn1ncc2c1-c1ccccc1OC2)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID2103374,O=S(=O)(/C=C/c1ccccc1)NCCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1490012,COC(=O)c1nn(-c2ccccc2)c(Cl)c1/C=N/O
+,,,,,,,,,,,,,,,,0.0,CID3244740,COCCn1cc(C(=O)N2CCN(C)CC2)c2c3ccccc3n(C)c2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1298503,C=CCc1cccc2cc(C(=O)NCc3ccc(C(=O)OCC)o3)c(=O)oc12
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID2230131,O=C(c1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID5770360,O=C(O)CSC1=NN/C(=C2/C=CC=CC2=O)N1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID359327,CN(Cc1ccccc1)C(=O)c1ccccc1C(=O)O
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID721318,O=C(NCc1ccco1)c1ccccc1Br
+,0.0,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID651139,CCOC(=O)Cn1cc(C(=O)C2CC2)c2ccccc21
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,,0.0,0.0,,CID1258251,C=CCn1cnc2c(NCc3ccccc3)ncnc21
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,CID661477,COCCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID10737,CN(C)c1ccc(C(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3213164,CCCCC(=O)Nc1ccc(NC(=O)c2cnccn2)cn1
+,,0.0,,,,,,,,,,,,,,0.0,CID3244036,COc1ccc(S(=O)(=O)Nc2cc(C(=O)NC3CCCCCC3)ccc2N2CCOCC2)cc1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID807886,COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1Br
+,,,,,0.0,,,,,,,,,,,,CID3240660,CCn1cc(C2=NOC(C(=O)Nc3ccccc3C(=O)OC)C2)c(C)n1
+,,,,,,,,,0.0,0.0,,,,,,,CID2296059,CCc1ccc(NC(=O)C(=O)NCCN2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID701684,C=CCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S
+,,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,CID3240288,C=CCn1c(N)c(C(=O)Nc2ccccc2OC)sc1=S
+,,,,0.0,,0.0,,,,,,,,,,,CID896320,O=C(NCc1cccs1)c1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID1131926,COc1cc(NC(=O)c2cccnc2)ccc1-c1cc2ccccc2oc1=O
+,0.0,,,,,0.0,,,,,,,,,,,CID2166261,C=CCNC(=O)CCCCC(=O)NCC=C
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,,CID5307766,COc1ccc(-n2c(C)nc3c(cnn3-c3ccc(C)c(C)c3)c2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID761592,Cc1cccc(/C=N/n2c(C)nnc2C)c1
+,,,,,,,0.0,,,0.0,,,,,,,CID5310920,CN1C(=O)C(=CNCCOc2ccc(Cl)cc2)C(=O)N(C)C1=O
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID890139,O=C(Nc1ccncc1)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O
+,,,,,,,,,0.0,,,,,,,,CID2101735,CC(C)N(C(=O)CSc1ncnc2sc(-c3ccccc3)cc12)C(C)C
+0.0,,0.0,,,,,,,,0.0,,,,0.0,0.0,0.0,CID650460,Cc1cc(NC(=O)CSc2nnc(COc3cccc(C)c3C)n2Cc2ccco2)no1
+0.0,,,,,,,,,,,,,,,,,CID1252572,COc1ccc(-c2noc(CSc3nnc(Cc4ccccc4)n3-c3cccc(C)c3)n2)cc1OC
+0.0,,0.0,0.0,,,,,0.0,0.0,,,0.0,,,,,CID198956,COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)cc1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID3242143,O=C(NCC1CCCO1)c1cc2c(s1)CS(=O)(=O)C2
+,,,,,,,,,,,0.0,,,,,,CID1208666,Cc1cccc(-c2nc([N+](=O)[O-])n[nH]2)c1
+,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID662420,O=C(CN1C(=O)c2ccccc2S1(=O)=O)NCCSCc1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID2769015,COc1ccc(C(=O)Nc2ncc3c(n2)-c2ccccc2CC3)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID974983,CC(C)Cc1nc(SCC(=O)NCc2ccccc2)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID5348539,COc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID662721,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC
+,,,,,,,,,,0.0,,,,,0.0,,CID2338736,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2156586,O=C(Cc1cccs1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID754782,Cc1nc2c(C#N)c(C)[nH]n2c(=O)c1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2221402,O=C(c1ccccc1)c1ccc(COC(=O)c2cnccn2)cc1
+,,,,,,,,,0.0,,,,,,,,CID550278,CCOC(=O)c1nc(N)c(=O)n(-c2ccc(C)cc2)n1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2568809,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2cccnc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1076824,CCOc1ccc(N(CC(=O)N2CCCC2)S(=O)(=O)c2ccc(SC)cc2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID986436,CCn1c(CCNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(Cl)cc1
+0.0,,,0.0,,,,,,,,,0.0,,,0.0,,CID644550,CCc1ccc2oc(-c3cc(N)ccc3Cl)nc2c1
+,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,CID720585,CS(=O)(=O)Nc1ccc2c3c(cccc13)CC2
+0.0,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,,CID1326251,COc1cc(-c2nnc(COc3ccc4ccccc4c3)o2)cc(OC)c1OC
+,,,,,,,,,0.0,0.0,,,,,,,CID1880983,CCCN1C(=O)/C(=C/c2c(NCCCOC(C)C)nc3c(C)cccn3c2=O)SC1=S
+,0.0,,,0.0,,,,,,,,,,,,,CID1245810,CCc1ccc(C(=O)NC2CCCCC2)s1
+,,0.0,,,,,,,,,,,,,,,CID2078629,O=C(COC(=O)CNC(=O)c1ccco1)NCCN1C(=O)CSC1=O
+,,,,0.0,0.0,,,,,,,,,,,0.0,CID3244733,CCC1CCCCN1C(=O)CSc1nnc(CNC(=O)COc2ccc(Cl)cc2)o1
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID795881,CCc1ccc(CNCc2cccnc2)cc1
+,0.0,,,0.0,,,0.0,,,,0.0,,,,0.0,0.0,CID2980990,O=C(NC1(C(F)(F)F)N=C2SCCN2C1=O)C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID797576,S=C(Nc1ccc(Br)cc1)N1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID3378490,Cc1ccc(C2CN=NC23CCc2ccccc2C3=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID876830,CCOc1ccc(C(=S)N2CCOCC2)cc1
+,,1.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID3237904,Cc1ccnc(NC(=O)CCCOc2cc(=O)n(C)c3ccccc23)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID652587,Cc1nc2n(n1)CC(O)CS2
+,,,,,,,,,,,,,,0.0,,,CID3480722,Cc1ccc2nc(C)c(C(=O)N/N=C/c3cccs3)n2c1
+,,,,,,,,,,,,,0.0,,,,CID9581780,O=C1/C(=N\O)c2ccccc2N1Cc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID2573206,COc1ccc(-c2nc(NC(=O)CCNC(=O)c3ccco3)sc2C)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID1267760,CCN(Cc1ccccc1)C(=O)CSc1nc(C)cc2c1C(=O)OC2
+,,,,,,,,,,,,,0.0,0.0,,,CID1087048,O=Cc1cn(CCC(=O)O)nc1-c1cccc2ccccc12
+,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID2225853,Cc1ccccc1OCCNC(=O)CNC(=O)c1ccccc1O
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID3244984,CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccc(OC)c(OC)c3)c(=O)c2c1
+,,,,,,,,0.0,,,,,,,,,CID773666,N#Cc1c(N)sc2c1CCN(CCc1ccccc1)C2
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID700937,COc1ccc2c(C)cc(N3CCOCC3)nc2c1
+,,,0.0,,,,,,,,,,,,,0.0,CID1361153,CC(C)CNc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1C(=O)O
+,,,,0.0,,,0.0,,,0.0,,,,,0.0,,CID651838,COCCCn1c(SCC(=O)Nc2ccc3c(c2)OCCO3)nnc1-c1ccoc1C
+0.0,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,,CID645937,O=C(CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5291835,O=C1C(=O)N(c2cccc(Cl)c2)C(c2ccc([N+](=O)[O-])cc2)/C1=C(\O)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID770056,S=C(Nc1ccccc1)N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2233922,Cc1ccc(S(=O)(=O)NCC(=O)OCc2ccccc2Br)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID2941418,CC(NC(=O)c1cccs1)C(=O)NC1=NCCS1
+,,,,,,,,,,,,,,0.0,,,CID831843,CCn1ncc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1OC
+,,,,,,,,,,,0.0,,,,,,CID1482294,O=c1[nH]nc(CNc2ccccc2)c2ccccc12
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2954695,CCOC(=O)c1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1
+0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,0.0,CID649943,CCOC(=O)Cc1csc(NC(=O)CSc2nnc(C)n2C)n1
+,,0.0,,,,,,,,,,,,,,,CID5738882,COc1ccccc1NC(=O)C1=C(C)N=C2N=C(CCCO)NN2C1c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID3244472,O=C(c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID3638388,Cc1ccc(-c2cc(C#N)c(=O)n(Cc3c(Cl)cccc3Cl)c2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3239730,CCOC(=O)N1CCN(C(c2cccc(OC)c2)c2sc3nc(C)nn3c2O)CC1
+,,,,,,,,,,,,,,0.0,,,CID6217722,CC(OC(=O)CNS(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,0.0,,,,,,0.0,,0.0,CID1224550,Cc1cc(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)no1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2835740,CC(=O)C1C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccccc1C
+,0.0,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID722483,c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3
+,,,,,0.0,,,,,,,,,,,,CID867752,CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1C)CCC2
+,0.0,,,,,,,,,,0.0,,,,,0.0,CID651407,CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(CC)ccc2[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID2926808,COc1ccc(N2CCN(C(=O)CCCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID2228346,CCOCCc1nnc(NC(=O)COC)s1
+,,,,,,,,,,,,,0.0,,,,CID1908267,CCN1C(=O)/C(=C\c2ccc([N+](=O)[O-])s2)C(=O)NC1=S
+,,,,,,,,,,0.0,0.0,,,,,,CID757406,Cc1ccc(S(=O)(=O)Nc2cccnc2)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID644822,CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O
+,,,,,,,,,,,,,,0.0,,,CID2961177,CC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)O)(C2)C3
+,,,0.0,0.0,,,,,,,0.0,0.0,,,0.0,,CID3244626,COCCNC(=O)CNS(=O)(=O)c1ccc2nc(C)sc2c1
+0.0,,,,,,,,,,,,,,,,0.0,CID1314024,COc1cc(NC(=O)c2ccc(Br)o2)ccc1NC(=O)c1ccccc1Cl
+,,,,,,,0.0,,,,,,,,0.0,,CID652745,CCCc1[nH]nc2c1C(CCC)C(C#N)=C(N)O2
+,,,0.0,0.0,0.0,,0.0,,,0.0,,,,0.0,,,CID3241505,COc1ccc(-c2cn3c(C)c(C(=O)NC(C)C)sc3n2)cc1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1288384,COc1ccc(-c2nc(SCc3ccccc3)n(S(C)(=O)=O)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1980705,Cc1ccc(C)c(C(=O)COC(=O)c2cc(Cl)nc3ccccc23)c1
+0.0,,,,,,,0.0,,,,,,,,,,CID3242220,COc1cccc(-c2nn(C)c3sc(C(=O)N4CCN(c5ccccn5)CC4)cc23)c1
+,,,,,,,,,,,,,,0.0,,,CID1581015,CN1/C(=C\C(=O)c2cccnc2)Sc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2135732,COc1ccc(-n2cc(-c3ccc(OC)c(OC)c3)[nH]c2=S)cc1
+0.0,,,,,,,,,,,,,,0.0,,,CID5308596,Cc1cccc(N2CCN(C(=O)C3CCN(c4nnc(-n5cccc5)s4)CC3)CC2C)c1
+,,,,,,,,,,,,,,,0.0,,CID3237864,CCC(=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
+,,,,,,,0.0,,,,,,,,0.0,,CID739444,COC(=O)c1cc(=O)c2ccc(OC)cc2o1
+,,,,,,,,,,,,,0.0,,,,CID2101588,Cc1ccc(S(=O)(=O)CCC(=O)NCc2ccc(Cl)cc2)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1008212,COc1ccc(/C=N/NC(=O)COc2ccc(C(C)(C)C)cc2)cc1Cn1nc(C)cc1C
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID3236871,CCn1c(C)cc(=S)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID1472640,COc1ccc(Cc2nc(C(=O)NCc3ccccc3OC)cs2)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,CID1258045,Cc1cccc(-n2c(SCCC(=O)O)nnc2-c2cccs2)c1C
+,,,,,,,0.0,,0.0,,,,,,,,CID807954,O=C(c1cccc(F)c1)N1CCc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID1477060,O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1
+,,,,,,0.0,0.0,0.0,,,0.0,,0.0,,0.0,0.0,CID651998,CCOC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)C1=O
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID650228,OC(CCN1CCOCC1)(c1ccc(Cl)cc1)C1CCCCC1
+0.0,,,,,,,,,,,,,,,,,CID3244825,O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1C1CCCCC1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID2919306,COCCCN1C(=O)C(O)=C(C(=O)c2ccc(C)o2)C1c1cccc(Br)c1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID848463,COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1
+,,,,,0.0,,,,,,,,,,,,CID5729203,COc1ccc(/C=C/C(=O)c2ccc(O)cc2)cc1COc1ccc(F)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,,CID660118,Cc1coc2c(O)cc3c(c12)OC1(N2CCCCC2)C(=O)NCCCC31
+,,,,,,,,,,,,,0.0,,,0.0,CID2525465,O=C(C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)N1CC=C(c2ccccc2)CC1
+,,,,,,,,,,,,0.0,,,0.0,,CID975120,O=C(O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
+,,0.0,,,,,0.0,,,,,,,,,,CID5308597,COc1cc(NC(=O)C2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2931477,COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID3243682,CCS(=O)(=O)N1CCCC(C(=O)NCc2ccc(C)cc2)C1
+0.0,,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID2998956,CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2cc(S(N)(=O)=O)ccc21
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID891910,O=C(Nn1c(=O)[nH]c2ccccc2c1=O)c1ccco1
+0.0,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,,CID2997830,Cc1ccccc1-n1c(C)nnc1SCC(=O)NCC1CCCO1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID651744,CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)N3CCCC3)cc2c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID3236032,Cc1ccc(CNC(=O)C2CC(=O)N(C3CCCCCCC3)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID749917,Cc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)cn2c1
+,,0.0,,,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,CID1004366,COc1ccc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1OC
+,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID648145,c1ccn(-c2ncnc3sc4c(c23)CCCC4)c1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,CID655543,CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(OCC)c2)CC1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID743716,CCOc1ccc(C(=O)NCc2ccco2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3242489,COc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3cc(C)on3)c3ccccc32)cc1OC
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID654742,CCn1c(O)c(C(=O)Nc2nc3ccccc3[nH]2)c(=O)c2ccccc21
+,,0.0,,,,,,,,,,,,,0.0,,CID654053,O=C(NCc1cccnc1)c1ccc2c(c1)OCO2
+0.0,,,,,0.0,,,,,,,,,,,,CID3244103,Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCC4)C3)c(C)o2)c1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID3236415,O=C(Cn1ncc2c(=O)oc3ccccc3c21)NCCC1=CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1819936,Cc1cccc(-c2nnc(SCCOc3ccc4c(C)cc(=O)oc4c3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID959471,Cc1nc(NC(=O)c2ccc3c(c2)OCO3)ccc1Br
+,,,,,,,,,,,,0.0,,,,,CID5308385,CCC(C)NC(=O)C1CCC(=O)N(c2ccc3c(c2)OCO3)C1c1ccc(OC)cc1
+0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,CID644843,Cc1ccc(CNC(=O)c2cccc(-n3cnnn3)c2)cc1
+,,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID646401,Cc1cc(C)nc(NC(=O)Cc2cccs2)n1
+,,,,,,,,0.0,,,,,,,,,CID713337,CC(=O)c1c(CC(=O)O)[nH]n(-c2nc3ccccc3s2)c1=O
+,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,,CID746585,C=C(C)Cc1c(C)[nH]c(-c2ccccc2)nc1=O
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID2924675,COC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID3244927,Cc1ccc(CCNC(=O)c2nnn(-c3cccc(C)c3)c2N)cc1
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID5308640,O=C1Nc2ccccc2OC1CC(=O)N1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID6418547,CCOC(=O)c1nnc(-c2ccc(C)cc2)nc1Sc1ccc(Cl)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID951060,COC(=O)c1ccccc1NC(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,,0.0,,CID645382,CCC(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cn1nnc(-c2ccc(C)cc2)n1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID645086,O=C(O)CCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2
+,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,CID2997960,O=C(Cn1c(NCCO)nc2ccccc21)NCCc1ccccc1
+,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID3240917,COc1ccccc1N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
+,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID2576894,O=C(Nc1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccc2ccccc2n1
+,,,,,,,,,0.0,,,,,,,,CID2567175,Cc1ccc(NC(=O)COn2nnc3ccc(S(=O)(=O)N(C)C)cc32)cc1F
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID2219666,O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCCN1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2237714,COc1ccc(NC(=S)Nc2ncccc2C)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID3721644,O=C1Nc2ccc([N+](=O)[O-])cc2OC1CCN1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID2547792,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccoc1C
+,0.0,0.0,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,CID913778,COCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1
+,,,,,,,,,,,,,,0.0,,,CID1478961,Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2c(F)cccc2Cl)n1
+,,,,,,,,0.0,,,,,0.0,,,,CID77875,COC(=O)c1ccc(OCCOc2ccc(C(=O)OC)cc2)cc1
+0.0,0.0,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,CID651718,COc1ccc(-c2nnc(SCC(=O)N3CCCC(C)C3)o2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID936630,Cc1ccc(-c2nnc(SCC(=O)OC(C)C)n2N)cc1
+,,0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,CID1294303,Cc1ccc(-n2c3c(cc(C(=O)NCc4ccco4)c2=O)C(=O)CC(C)(C)C3)cc1
+0.0,,0.0,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,CID2157299,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCC1
+,,,,,,,0.0,,,,,,,0.0,,,CID655828,O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID1247256,O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl
+,,,,0.0,,0.0,,,,,,,,,,,CID648246,Cc1cc(C)n(-c2nc(Nc3ccccc3)nc(-n3nc(C)cc3C)n2)n1
+,,,,,0.0,,,,,,,,,,,,CID9550382,COc1ccc(C2=NOC(C(=O)NCc3cccs3)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1106325,COC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1
+,,,,,,,,0.0,,,,,,,,,CID3242064,Cc1cccc(NC(=O)CN2CCCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1
+,,0.0,,,,,,,,0.0,0.0,,,,,,CID5309803,Cc1nc2ccc(S(=O)(=O)NC(C(=O)NC3CCCC3)C(C)C)cc2s1
+,,,,,,0.0,0.0,,,,,0.0,,0.0,,,CID2296198,COc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID5307937,COc1cc(OC)c(Nc2cc(C)nc3nc(C)nn23)cc1Cl
+0.0,,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,,CID978126,CCCN1CCC(NC(=O)Nc2ccc(OC)c(OC)c2)CC1
+,,,,,,0.0,,,,0.0,,,,,,,CID2168867,COc1cc(OC)c(OC)cc1CNCCc1ccc(OC)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID3243946,CC(=O)N1CCc2cc(S(=O)(=O)NCCN3CCC(C)CC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID1474628,CCOC(=O)c1cnc(-c2ccccc2)nc1Oc1ccc(C)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5310316,CCc1nc(SCC(=O)N2CCOCC2)c2c(=O)n(C)c(=O)n(C)c2n1
+0.0,,,,,,,,,,,,,,,,0.0,CID3240277,O=C1c2cccnc2C(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)N1Cc1ccccc1
+,,,,,0.0,,,,,,,0.0,0.0,,,,CID889093,C=CCn1c(NCc2cc(C)ccc2O)nc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID937062,Cn1nnc2sc3c(c2c1=O)CCCC3
+,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,0.0,CID655782,CCn1nnnc1SCC(=O)Nc1cc(OC)cc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2799110,NC(=O)NCc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID3767524,CCC(CC)C(=O)c1c[nH]c(C(=O)NCC2CCCO2)c1
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID762661,CCOC(=O)N1CCN(C(=O)Cc2cccs2)CC1
+,,,,,,,,,,,0.0,,,,,0.0,CID649110,O=C(Cn1c(-c2ccccc2)noc1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1485215,CN1C(=O)C(=Cc2c(OCc3cnc(Cl)s3)ccc3ccccc23)C(=O)N(C)C1=O
+,,,,0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,CID2905735,O=C(CCc1ccccc1)NC1CCSC1=O
+,0.0,,,,,,0.0,,,0.0,,,,,0.0,,CID5308946,CCOC(=O)N1CCC(NC(=O)CN2C(=O)CSc3nc(C)cc(C)c32)CC1
+0.0,,,,0.0,,,,,,,,,0.0,,,0.0,CID3244409,Cc1cc(C)n(CNc2nc(C(F)(F)F)cs2)n1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,0.0,CID2202990,Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID800918,CC(=O)c1ccc(OCC(O)COc2ccc(C(C)=O)cc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID647812,CCOC(=O)c1cnc(SCC(=O)Nc2ccc3c(c2)OCCO3)nc1N
+,,,,,,,,,,,,,0.0,,,,CID16189457,CCOC(=O)c1ccc(NC(=O)CC2C(=O)OCCN2CC)cc1
+,,,,,,,0.0,,,,,,0.0,,,,CID3237383,O=C1c2ccccc2C(=O)N1CC(O)Cn1nnc2ccccc21
+,,,,,,,,,,0.0,0.0,,,,,,CID254510,CCOC(=O)c1cccc(C(=O)OCC)n1
+0.0,,,,,,0.0,,,0.0,,,,,,0.0,,CID663756,CC(C)C(NC(=O)NCCc1ccc(Cl)cc1)C(=O)O
+,,,0.0,,,,,,,,,,,,,,CID2928665,O=C(C1COc2ccccc2O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,0.0,,,,,,,,,,,,0.0,,CID2838767,COc1ccc(OC)c(C2C(C#N)=C(N)Oc3cc(N)ccc32)c1
+,,,,,,,,,,,0.0,,,,0.0,,CID648467,CN1CCN(C(=O)C2(NC(=O)Nc3cccc(F)c3)CCCCC2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3245440,CCCCNC(=O)CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID9551465,CCOc1ccccc1NC(=O)C1CCCCN1S(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1299744,COc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2173682,O=C(O)c1ccccc1OCCOc1ccccc1C(=O)O
+,,,,,,,,0.0,,,,,,,,,CID749632,Cc1cc(C(F)(F)F)nn1CC(=O)N(C)C1CCCCC1
+0.0,,,,,,,,,,,,0.0,,,,,CID1177170,COc1ccc(N2C(=O)C(Cl)=C(Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID3114902,CCCCC(=O)NC(NC(=S)N1CCOCC1)C(Cl)(Cl)Cl
+,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID1882779,N#Cc1c2n(c3c(=O)n(CC(=O)c4ccc(Br)cc4)cnc13)CCCC2
+,,,,,,,,,,,,,,0.0,,,CID563780,CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID3148954,OC(CNCc1ccco1)COc1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID3235808,COCCn1c(=S)[nH]c2cc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)ccc2c1=O
+0.0,,,,,,,,,,,,0.0,0.0,,0.0,,CID3000128,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1CCCN1S(=O)(=O)c1ccccc1F
+0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID3245543,Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccco3)c2N)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID3240690,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCCN1CCCc2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID667286,Cc1ccc(N2CCCCn3c2nc2c3c(=O)n(CC(=O)O)c(=O)n2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID4183052,COc1cccc(NC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)c1
+,,,0.0,,0.0,,0.0,,0.0,,0.0,,,,,,CID646390,O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1)c1ccco1
+,,0.0,,0.0,,,,,,0.0,,0.0,,0.0,0.0,0.0,CID1084421,CCOC(=O)Cc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)cc2n1
+,,,,,0.0,,,,,,0.0,,,,,,CID2922113,COc1ccccc1/C=N/N/C(=N\c1ccc(C)cc1)c1nc2ccccc2s1
+,,,,,0.0,,,,,,,,,0.0,,,CID9551501,CC(=O)c1cccc(NC(=O)C2CC(c3ccc(F)cc3)=NO2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID3737946,CC12CCC(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)(OC1=O)C2(C)C
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID3239457,CSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(C)c1
+,,,,,0.0,,,,,,,,,,,,CID1906613,CCOC(=O)CCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)SC1=S
+,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID759097,Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2388852,CCCN1C2=NS(=O)(=O)CCN2c2ccccc21
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID2999374,CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(=O)N3)ccc21
+0.0,,,,,,0.0,,,0.0,,,,,0.0,0.0,,CID656351,O=C(NC1CCCCNC1=O)c1ccc(Cl)cc1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID846055,CC(C)C(=O)Nc1cccc(C(=O)Nc2ccccc2C(=O)O)c1
+,,,,,,,,,,,,,0.0,,,,CID1450138,O=C(CN1CCN(S(=O)(=O)c2ccccc2F)CC1)NC1CCCC1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID3243461,O=C(NC1CCCCCC1)c1cccc(N2CCCC2=O)c1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID650649,OC(CNc1nc2ccccc2s1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID626653,CCSc1c(C(=O)NC)ccc2c1C(=O)c1ccccc1C2=O
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,0.0,0.0,,,CID1236382,Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID2970735,CC(NC(=O)c1ccc2c(c1)OCO2)C1CCCO1
+,,0.0,,,,,,,0.0,0.0,,,,,0.0,,CID3238852,CCCOc1ccc(C(=O)NCCCn2ccnc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID776048,Cc1cc(C)nc(Oc2ccc([N+](=O)[O-])cc2)n1
+,,,,0.0,,,0.0,,0.0,,,,,,,,CID1305492,CCCC12CN(C(=O)c3ccc(OC)cc3)CC(C)(CN(C(=O)c3ccc(OC)cc3)C1)C2=O
+,,,,,0.0,,,,,,,,,,,,CID3218176,Cc1ccc(NC(=S)NC2CC3CCCC(C2)N3Cc2cccs2)cc1
+,,,,,,,,,0.0,,,,,,,,CID809610,CCOc1ccc(CC(C(=O)NN)C(=O)NN)cc1CN(C)C
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID773480,COc1ccc(CSc2nnnn2-c2ccccc2)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID3238099,O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1cccnc1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID3242016,Cc1cc(C)cc(-n2nnc(C(=O)NCc3ccc(Cl)cc3)c2N)c1
+,,,,,,,,,,,,,0.0,,,,CID5207470,Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)NCc2ccco2)c1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID645132,Cc1ccc2cc(C#N)c(N3CCCC3)nc2c1C
+,,,0.0,0.0,,,,,,,,,,,,,CID3245194,CCOc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1c(C)n[nH]c1C
+,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,0.0,,CID2411866,CC(C)CC(=O)Nc1ccccc1N1CCOCC1
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID664005,CCCn1/c(=N/C(=O)c2ccncc2)c(C#N)cc2c(=O)n3cccc(C)c3nc21
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID5771342,O=C1Nc2ccccc2/C1=C/NCC1CCCO1
+,,,,,,,,,0.0,,,,,,,,CID3149068,COCCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCCCC1C
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID3239586,O=C(CCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccc(F)cc1
+,,0.0,0.0,,,,,0.0,,,,,,,,0.0,CID3236865,CCOc1ccc(OCC)c(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
+,,,,,,0.0,,,0.0,,,,,,,,CID5389188,CN(C)CCN/C=C1\C(=O)NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O
+,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID3235674,CCCNC(=O)c1ccc(CNc2c(N3CCC(C(=O)OCC)CC3)c(=O)c2=O)cc1
+0.0,0.0,,,,,,0.0,,,,,0.0,,,,,CID3242279,CCCC(=O)Nc1c2c(nn1-c1ccc(C)cc1C)CSC2
+,,,,,,,,0.0,,,,,,,,,CID2233212,O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Br)cc1)N1C(=O)CCCC1=O
+,0.0,0.0,,,,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,CID743799,COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID2231259,Cc1sc2nc(SCc3nc(-c4cccs4)no3)n(-c3ccccc3)c(=O)c2c1C
+,,,,,0.0,,,,,,,,,,,,CID2863873,COc1ccc(N(CC(=O)NCc2ccccc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID6400908,C/C(=N\O)C(=O)NCCN1CCCCC1
+,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,,CID658583,COC(=O)CN1C(=O)N(c2ccccc2)C(N(O)C(=O)Nc2ccccc2)C1(C)C
+,,,,,,,,0.0,,0.0,,,,,,,CID2217788,C=CCNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID2153102,Cc1ccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CCOCC4)nc2-3)cc1
+,,,,,,,,,,,,0.0,,0.0,,,CID5308213,Cc1cccc(N2CCN(c3nc4ccc(Cl)cc4n4cnnc34)CC2)c1C
+0.0,,,0.0,,,,,,,,,,,,,,CID3237087,COc1ccc(-c2cc(C(=O)NCc3ccccc3)no2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID4556124,CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1cccc(Cl)c1)C1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID2301372,CCc1cccc(CC)c1NC(=O)c1cccc(N)c1
+,,,,,,,,,,,,,0.0,,,,CID5389640,CC/C(NCC1CCCO1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
+,,,,,0.0,,,,,,,,,,,,CID722885,COc1ccc(-n2c(-c3ccccc3F)nc3ccccc3c2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID2876251,COCCCNC(=O)C(=O)NCCc1ccc(OC)cc1
+,,,,,,,,,,,,,,,,0.0,CID1958069,CC(/C=C/c1ccc(Cl)o1)=C\C(=O)O
+,,,,,,,,,0.0,,,,0.0,,,,CID751507,CCOc1ccc(C(=O)N2CCSC2=S)cc1
+,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,CID1094286,Cc1ccc(OCC(=O)Nc2ccc(-c3nc4ncccc4o3)cc2)cc1
+,,,,,,0.0,,,,,,,,,,,CID657536,CCCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID652707,Cc1occc1-c1nnc(SCC(=O)NCc2ccco2)n1CC(C)C
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+,,,,0.0,,,0.0,,,,,,,,0.0,0.0,CID2159407,COC(=O)CSc1nnc(CNC(=O)c2ccccc2OC)n1-c1ccc(OC)cc1
+,,,,,,,,,,,0.0,,,,,,CID2364229,COc1ccccc1OCC(=O)Nc1ccc(C(N)=O)cc1
+,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,,CID662580,C/C(NC1CCCC1)=C(/C#N)C(N)=O
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+,,,,,,,,,,,,,0.0,,,,CID4370262,N#CC1=C(N)OC2=C(CCc3ccccc32)C1c1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID805957,COc1ccc(C(=O)COC(=O)c2ccc3ccccc3n2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1250927,Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CCC(C)C)C3=O)s1
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+,,,,,,,,,,,0.0,,,,,0.0,CID2548881,COc1ccc(C)cc1-n1nnnc1SCC(=O)c1ccc2c(c1)OCCO2
+,,0.0,,,,0.0,0.0,,,,,0.0,,,,,CID5307874,CCOC(=O)N1CCN(c2c(NCC3CCN(Cc4cccc(C)c4)CC3)c(=O)c2=O)CC1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID2226285,CSc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1
+,,0.0,,,0.0,,,,,,,0.0,,,,,CID644602,COC(=O)C1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1
+0.0,,,,0.0,,,,,0.0,,,,,,,,CID662163,Nn1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1C1CCCCC1
+0.0,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,CID661001,COC(=O)c1cc(Br)c(=O)n(Cc2ccncc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2339719,COc1cccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c1
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID786607,CC(=O)c1ccc(OC(=O)c2ccc(Br)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID15945065,C=C1CCC2C(C)(C)C(O)CCC2(C)C1COc1cc(=O)oc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID771147,COC(=O)c1sccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3675771,COc1ccc(NC(=O)N(CCC(C)C)C(C)c2ccccn2)c(OC)c1
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+0.0,,,,,,,0.0,,,0.0,,,,,,,CID2942001,C=CCn1c(N)cc(=O)nc1SCC(=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2121575,CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)CCC(=O)O
+,,,,,,,,,,0.0,,,,,,,CID1096408,Cc1ccc(=O)n(CC(=O)O)c1
+,,,0.0,,,,0.0,,,0.0,,,,0.0,0.0,,CID659625,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCSCC1)CC3
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID647858,COCCc1nnc(NC(=O)Cc2ccccc2)s1
+,0.0,,0.0,,,,,,,0.0,,0.0,,,,,CID666528,Clc1ccc(Cc2nn3c(-c4ccncc4)nnc3s2)cc1
+,,0.0,,,1.0,0.0,,,,,,,,,,,CID5310789,CSc1ccccc1N/C=C1\N=C(c2ccccc2)OC1=O
+,,,,,,,,,,,,,,0.0,,,CID781397,CC(C)(C)c1cnnn1-c1ccc(C=O)cc1
+,,,,0.0,,,,,,,,,,,,,CID3240379,O=C(NCC1CCCO1)c1csc2c1CCCC2
+,,,,,0.0,,,,,,,,,,,,CID698275,O=C(CSc1n[nH]c(-c2ccccc2)n1)c1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID2840223,COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CC(C)C)c3ccccc32)S1
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+,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0,CID786051,COc1ccc(Cl)cc1S(=O)(=O)n1ccnc1C(C)C
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID2029949,c1ccc(OCCCc2nc(-c3ccccn3)no2)cc1
+0.0,,0.0,,,0.0,,,0.0,,0.0,,,,,,,CID2999903,CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)c1
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+,,,,,,,,,,,0.0,0.0,,,0.0,,CID647852,CC1CCN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,,CID1263930,O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1cncc(Br)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2077952,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID889595,O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID646091,COc1ccc(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1C
+,,,,,,,,,,,,,,0.0,,,CID2213626,COc1ccc2oc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)nc2c1
+,,,,,,,,,0.0,,,,,0.0,,,CID650089,O=C(C1CCCO1)N1CCN(Cc2nc(=O)c3ccccc3[nH]2)CC1
+,,,,,,,,,,,,,,0.0,,,CID16189987,OCCC1CN(Cc2cccn2-c2ncccn2)CCN1CCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1068314,COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2nccs2)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID1712641,CCCCOC(=O)c1cccc(NC(=O)CCC(=O)O)c1
+0.0,,,,0.0,,,,,,1.0,,0.0,,,0.0,,CID1309539,CCOC(=O)c1cc2c(c(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c1)OCOC2
+,,,,,0.0,,,,,,,,,,,,CID4030511,CCOC(=O)CC(NC(=O)c1ccco1)c1ccc(C)cc1
+,,0.0,0.0,,,,0.0,,0.0,,,,,,,,CID1248444,Cc1cc(S(=O)(=O)NCC(C)C)ccc1OCC(=O)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID824082,Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1
+,,,0.0,0.0,,,0.0,0.0,0.0,0.0,,,,,,,CID646937,Cc1ccc(NC(=O)CN2C(=O)C(C)Oc3ccccc32)nc1
+,,,,,0.0,,,,,,,,,,,,CID5346112,Cc1ccc(/C(N)=N/OC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1
+,,,0.0,,,,,0.0,,0.0,,,,,,,CID2296926,Cn1c(SCC(=O)Nc2cc(=O)n(C)c(=O)n2C)nnc1-c1cccs1
+,0.0,,,0.0,,,0.0,,,0.0,,,,0.0,0.0,,CID2586158,O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)NC(=O)NCc1ccco1
+,,,,,,,,,,,0.0,,,,,,CID4561015,COc1ccc(/C=N/c2oc(-c3ccccc3)cc2C#N)cc1
+,,,,,,,,,,,,,,0.0,,,CID748227,O=C(Nc1ccccc1)Nc1cccc2nsnc12
+,,,,,0.0,,,,,,,,,,,,CID5073263,Cc1ccc(CNC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1734258,CC(=O)Nc1ccc(OS(=O)(=O)c2ccccc2C)cc1
+,,,,,,,,,,,,,,,0.0,,CID264006,C=CCNc1ncnc2c1ncn2C1OC(CO)C(O)C1O
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID1265297,Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2
+,,,,,,,,0.0,,,,,,0.0,,,CID668455,C(=N/N1CCN(Cc2cccc3ccccc23)CC1)\c1ccco1
+,0.0,,0.0,,,,,,,,,,,,,,CID663313,Nc1nnnn1/N=C/c1cccs1
+,,,,,,,,,,,,,,,,0.0,CID654075,CCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,0.0,,,,,,,,0.0,,,,,CID2999355,CCn1c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2cc(S(=O)(=O)N(C)C)ccc21
+,,,,,,,,,0.0,,,,,,,,CID2227749,Cc1cccc(-c2nc(=S)c3c(o2)CCCC3)c1
+,,,,,,,,,,,0.0,,,,,,CID1459136,COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(C)=O)cc2c1
+,0.0,,,,0.0,,,0.0,,0.0,0.0,,0.0,,0.0,,CID664483,CCc1nnc(NC(=O)CCC(=O)NC2CCCCC2)s1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID990946,CSc1nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2s1
+,0.0,,0.0,,,0.0,,0.0,,,,,,,,,CID848405,CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccn1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID648967,CCN(CC)C(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)o1
+0.0,0.0,,,,0.0,,,,,,,0.0,0.0,,,0.0,CID673609,CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,,0.0,,,,CID658711,Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)CCCC3
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID661854,CCCCn1c2nc3ccccc3nc2c2c(=O)n(CC(C)C)cnc21
+,,,,,,,,,,0.0,,,0.0,,,,CID646858,COc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2Cc2ccco2)cc1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID654793,Cc1[nH]n(-c2ccccc2)c2nc(=O)c(CNCc3ccc4c(c3)OCO4)cc1-2
+0.0,0.0,,,,,0.0,,,,,,,,0.0,0.0,,CID1367800,Cc1c(NC(=O)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C
+,0.0,,,0.0,0.0,,,,,0.0,,0.0,,,,,CID2913340,COc1ccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2c2nnc(C)s2)cc1OC
+,0.0,,,,,,,0.0,0.0,0.0,,,,,0.0,,CID951578,CN(c1ccc(C(=O)NCc2cccnc2)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID16190965,CC1=C(C(=O)N2CCCC(C(=O)c3cccc4ccccc34)C2)OCCO1
+,,,,,,0.0,,,,,,,,,,,CID662246,c1ccc(-c2nn3c(C4CCCCC4)nnc3s2)cc1
+0.0,,,0.0,,,,,,,,,,,,,,CID3244431,COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)C(C)(C)C)c1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2250232,OCCNCCCCOc1ccccc1F
+,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,0.0,CID666678,CCCc1nc2oc3c(NCCN4CCOCC4)ncnc3c2c2c1CCCC2
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2997912,COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID944687,CCCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2991012,Fc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID3240958,CN(CC(=O)Nc1ccc(F)c(F)c1)S(=O)(=O)c1cccc2nsnc12
+,,,,,,,,0.0,,,,,,,0.0,,CID2980753,NC(=O)C1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1
+,,,,,,,,,,,,,0.0,,,,CID618848,O=c1c2ccccc2sc2ccc(Cl)cc12
+0.0,,,,,,,,,,,,0.0,,,,,CID1005075,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(c2cccc(Cl)c2)CC1
+0.0,,0.0,,,,0.0,,0.0,0.0,,,,,,,0.0,CID2206273,O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccco1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3238366,CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2763801,Cn1c(Oc2ccc(Cl)cc2)c(C=O)c2ccccc21
+,0.0,,,,,,,0.0,,,,,,,,,CID91332,O=C(O)C(c1ccccc1)C1(O)CCCC1
+,,,,,,0.0,,,,,,,,,,,CID3241863,CC12CC(NC(=O)N1c1cccc(C(=O)NCc3ccc4c(c3)OCO4)c1)c1cc(Cl)ccc1O2
+,0.0,,,,,0.0,,,,,,,,,,,CID661467,Fc1ccccc1-c1nc(N2CCCCC2)c2ccccc2n1
+,,,0.0,,,,0.0,,0.0,,0.0,,0.0,,,0.0,CID982320,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1
+,,,0.0,,,0.0,,,0.0,,0.0,0.0,,,,0.0,CID646778,COC(=O)c1oc2nc(C)cc(C)c2c1N
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID2111128,CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1
+,,,,,,,,,,,,0.0,,,,,CID2219826,NC(=O)c1ccccc1NC(=O)CCCN1C(=O)CCC1=O
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,0.0,CID651446,CCCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccco1
+,0.0,,0.0,,,,,,,,,,,,,,CID653800,CC(=O)N(Cc1cc2cc(C)c(C)cc2n2nnnc12)CC1COCCO1
+,,,,,0.0,,,,,,,,,,,,CID2885897,Cc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID3243565,Cn1c(C(=O)N2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc2sccc21
+,,,,,,,,,,,,,,,,0.0,CID1251780,Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1nc(=O)c2ccccc2[nH]1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID1284327,O=C(Nc1c(C(=O)Nc2cccc3ccccc23)cnn1-c1ccccc1)c1ccco1
+0.0,,0.0,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,CID654907,COc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID5309654,CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID5071363,COc1ccc(OCC(=O)N/N=C2\CCCCc3ccccc32)cc1
+,,,,,0.0,0.0,,,,,,,,0.0,,,CID661231,Cc1ccc(-n2ncc3c(N4CCN(c5ccccc5)CC4)ncnc32)c(C)c1
+,,0.0,,,,,,,,,,,,,,,CID5307747,CCOC(=O)N1CCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)CC1
+,,,,,,,,,,0.0,,,,,0.0,,CID3242121,Cc1cc(=O)n2nc(N3CCCC(C(=O)NCCc4ccccc4)C3)sc2n1
+,,,0.0,,,,,,,0.0,,,,,,,CID396186,N#CC1=C2SCCN2C(=O)C(C#N)C12CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID2101805,Cc1ccc(NC(=O)COc2ccc(CCO)cc2-n2nc3ccccc3n2)cc1C
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID2186038,O=C1NC(=O)N(Cc2ccccc2Cl)C(=O)/C1=C/N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID3239497,O=C(CNS(=O)(=O)c1ccc(Br)s1)N1CCN(c2ncccn2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2955435,CC(C)(C)C(=O)CC1(O)C(=O)N(Cc2ccccc2)c2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID3235724,Cc1nonc1NC(=O)OCCN1CCOC1=O
+0.0,0.0,,0.0,,0.0,,,,,,,,,,,,CID649160,O=C1C(=CNCCCN2CCCC2=O)C(=O)c2ccccc21
+,,,,,,0.0,0.0,,,,,,,,,,CID644733,O=C1Nc2ccccc2C12OCC1(CO2)COC2(OC1)C(=O)Nc1ccccc12
+0.0,,,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,CID2886838,C=CCn1c(SCC(=O)NCc2ccco2)nc2sc3c(c2c1=O)CCC3
+0.0,,,,,,,,0.0,,,,,,,,,CID1253909,O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Br)o1
+,,,,,0.0,,,,,,,,,,,,CID1440330,COc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1
+,,,,,,,,,,,0.0,0.0,,,,,CID2973742,C1CCC(OCCN2CCN(CCOC3CCCCC3)CC2)CC1
+,,0.0,,,0.0,,0.0,,,,,0.0,,,0.0,,CID2969940,CCCCCC(C)n1[nH]c(=O)c2c(C)cc(C)nc21
+,,,,,,,,,,,,,0.0,,,,CID1984741,COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)/C(=C/c2ccco2)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3157644,O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID875190,COC(=O)COc1ccc2ccc(=O)oc2c1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID3243324,Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(CCN4CCOCC4)c3nc12
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+,,,,,,,,,,,,,,0.0,,,CID2927213,CCOc1ccc(N2C(=O)CC(Sc3nnnn3-c3ccccc3)C2=O)cc1
+,,,0.0,0.0,0.0,,,,,,,0.0,,,,,CID3236604,CC1Cc2ccccc2N1C(=O)c1cc2c(=O)n3ccccc3nc2n1C
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+,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID5308097,Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)CC3)sc2c1
+,,,,,,,0.0,,,,,,,,,,CID3245704,CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1ccc(OC)c(O)c1)N(C)C2=O
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+,0.0,,,,,,,,0.0,,,,,,,,CID650469,CCOc1ccc(C(C#N)N2CCOCC2)cc1OC
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+,0.0,,0.0,0.0,,0.0,,,,,,,,0.0,,,CID1264460,CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1
+,,,,0.0,,,,,,,,,,,,0.0,CID3240821,O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(C(=O)c2ccco2)CC1
+0.0,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID645551,N#Cc1nc(COc2ccc(Cl)cc2)oc1N1CCCC1
+,,,,,,0.0,,,,,,0.0,,,,,CID647936,CCc1ccccc1N(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC1CCCC1)c1ccco1
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+,,0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,CID103958,CS(=O)(=O)Nc1ccccc1Oc1ccccc1
+,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,CID5307289,COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3cnc[nH]3)C2)cc1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID2320017,COc1ccc(N2C(C)=CS/C2=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID9551678,CC(=O)C1C2C(=O)N(C3CCCCC3)C(=O)C2C2c3ccccc3C=CN12
+,,,,,0.0,,,,,,,,0.0,,,,CID2800329,COc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID5409786,COc1ccccc1N/C=C1\C(=O)N(c2ccc(C)cc2C)N=C1C
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID2221587,COc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)O)C3=O)cc(OC)c1OC
+,,,,,,,,0.0,,,,,,,,,CID730507,COc1ccc(C(=O)Nc2cc(OC)nc(OC)n2)cc1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID2298646,O=C(NCCCN1CCOCC1)c1ccc(Br)cc1
+0.0,,,,,,,,,,,,,,,,,CID2911999,Cc1ccc(OCC(O)CN2CCN(CC(O)COc3ccc(C)cc3Cl)CC2)c(Cl)c1
+,,,,,,,,,,0.0,,,,,,,CID1094858,CCn1c(Cc2c(C)[nH]c3ccccc23)nnc1SCC(=O)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2458017,Cc1cnc(C(=O)OCc2ccc(COC(=O)c3cnc(C)cn3)cc2)cn1
+,0.0,0.0,,,,,,,,,,,0.0,,,,CID659911,COc1ccc(CNC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(C)CC2)cc1
+,,,,,,,0.0,,0.0,,0.0,,,0.0,,,CID828796,O=C(Cc1ccccc1)N1CCN(C2CCCC2)CC1
+,,,,,0.0,,0.0,,,,,,,,,,CID5389615,CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3237222,Cc1cc2ccccc2c(=O)n1CC(=O)NC1CCCCCC1
+,,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,CID652039,COc1ccc(NC(=O)CCN2CCCCC2)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2999577,CN(CC1COc2ccccc2O1)c1nc(-c2cccnc2)nc2ccccc12
+,,,0.0,0.0,,,,,0.0,0.0,,,,,,,CID3240787,COc1cc(-c2nnc(SCC(=O)c3ccc(C)cc3)o2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID2232382,COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2C)c1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID3244844,Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)c1ccco1
+,,,,,,,,,,,,,,,,0.0,CID662876,COCCN(CCOC)C(=O)C12CCC(C)(C(=O)C1)C2(C)C
+,,,,,0.0,0.0,,0.0,0.0,,,,,,,,CID2106152,Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1ccccc1
+,,,,,,,,,0.0,0.0,,,,,,,CID3151547,COc1ccc(OC)c(C2SCCN2S(C)(=O)=O)c1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID936901,CCOC(=O)c1ccccc1N/C=C1\CCCC1=O
+,,0.0,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,,,,CID645703,CC(=O)Nc1ccc(S(=O)(=O)N2CCSC2c2ccc(C)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1731114,O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2499805,CCc1ccc(OCC(=O)NNC(=O)c2nn(CC)c(=O)c3ccccc23)cc1
+,,,,,,,,,0.0,,,,,,,,CID9549663,CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2ccncn2)cc1)C(F)(F)F
+,,,,,,,,0.0,,,,0.0,,,,,CID3240817,CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)NCCC(C)C)cc3)c(=O)c2=O)CC1
+,,,,,,,,,,0.0,,,,,0.0,0.0,CID655375,Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)c3cnccn3)s2)cc1
+,,0.0,,0.0,,,,,,,0.0,,,,0.0,,CID651352,NS(=O)(=O)c1ccc(S(=O)(=O)N(Cc2ccccc2F)CC2CCCO2)cc1
+,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,,CID664785,CC(C)(C)NCc1cc2ccccc2[nH]c1=O
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID3241048,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C#N)cc2)c1
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID3245658,CC1(C)CC(=O)C(=CNc2ccc(O)cc2)C(=O)C1
+0.0,,,,,,,,,,,0.0,,,0.0,,0.0,CID1991468,Cc1ccc(OCCNC(=O)c2ccccc2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID1261311,CCCc1ccc(-c2cc(C(=O)NCCc3ccc(S(N)(=O)=O)cc3)c3ccccc3n2)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,,CID662130,COc1ccc(OC)c(C2=Nn3c(nnc3C3CCCCC3)SC2)c1
+,0.0,0.0,,,0.0,,,,,,,,,,,0.0,CID2124800,NC(=O)c1c(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)sc2c1CCC2
+,,,,,,,,0.0,,,0.0,,0.0,0.0,,,CID665993,Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1C
+,,0.0,,,,,,,,,,,,,0.0,,CID893547,Cc1cccc(Nc2nc(N)nc(CN3CCC(C)CC3)n2)c1C
+,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID970060,CN(c1ccccc1C(=O)NCc1ccccn1)S(C)(=O)=O
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID3238918,COC(=O)CNC(=O)Cn1ccc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID5192558,CCCCC(=O)C1=C(N2CCCC2)CC(C)(C)CC1=O
+0.0,,,,,0.0,,0.0,,,,,,,,,,CID3245283,Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4ccc5c(c4)OCO5)on3)c2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID2254717,COc1ccc(NC(=O)C(=O)N/N=C/c2cccnc2)c(OC)c1
+,,,,,,,,,,,,,,,0.0,,CID3242917,O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)CC1
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID3242861,CCOC(=O)c1cccnc1SCc1cc(=O)n2ccccc2n1
+,0.0,,0.0,,,,,,,,,,,,,,CID846442,Cc1ccc(C)c(N(CC(N)=O)S(C)(=O)=O)c1
+,,,,,,,,,,0.0,,,,,,,CID2578454,CC(C)N(C(=O)CN1C(=O)NC2(CCCCCC2)C1=O)C(C)C
+,,0.0,,,,,,,,,,0.0,,,0.0,0.0,CID893083,COc1ccccc1OCc1ccc(C(=O)NCc2ccco2)o1
+,,,,,,,,,,,0.0,,,,,,CID9587730,Cc1ccc(S(=O)(=O)N(C)CC(=O)O/N=C(\N)c2ccccn2)cc1
+,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,CID645272,Cc1cc(NC(=O)CCCC(=O)N(CC(=O)NC2CCCCC2)c2ccccc2)no1
+0.0,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,,0.0,CID1256078,COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1
+,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID3238646,COc1cc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C)c3)o2)cc(OC)c1OC
+,,0.0,,0.0,,,,,0.0,,0.0,0.0,,,,,CID2367131,O=C1CN(C(=O)OCc2ccccc2)c2ccccc2N1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID658001,O=C(O)c1sccc1S(=O)(=O)c1ccccc1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID2194474,C=CCNS(=O)(=O)c1ccc(OCC(=O)OC)cc1
+0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID647573,CCOC(=O)CSc1nnc(CSc2nc(C)cc(C)n2)n1Cc1ccco1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID655755,Cc1cc(C)cc(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID2104100,Cc1cc(C)c(-c2cc(NC(=O)CSc3nncn3C)n(-c3ccccc3)n2)cc1C
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID3236051,Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NC3CCCC3)ccc21
+,,,,,,0.0,,,,,,,,,,,CID649652,O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCOCC1
+0.0,,,,,,,,,,,,,0.0,,,,CID3235854,CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)sc2nc(-c4ccc(OC)cc4)cn23)CC1
+0.0,,,,,,,,,,0.0,,,,,,,CID651857,COCCOC(=O)C1=C(C)NC(=O)CC1c1cc2c(cc1Br)OCO2
+,,,,,,,,,0.0,,,,,,,,CID2832907,CC1OC(Nc2cccc3ccccc23)C(O)C(O)C1O
+,,,,,,,0.0,,,,,,,,,,CID5307909,Cc1noc(C)c1S(=O)(=O)N(CC(=O)NCc1ccc2c(c1)OCO2)c1ccc(C(C)C)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1481697,Cc1ccccc1Cn1ccc(-c2ccc3c(c2)OCO3)n1
+,,,,,,,,,,,,,,0.0,,,CID2155633,COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1
+0.0,,0.0,,0.0,,,,,0.0,,,0.0,0.0,,,,CID1324653,O=C(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+0.0,,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,0.0,,,CID2754497,COc1ccc(/C(CC2(O)C(=O)Nc3ccccc32)=N\O)cc1
+,,,,,,,,,,,0.0,,,,,,CID783142,CCCN(CCO)Cc1ccc(Br)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID815028,CC(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1474148,COc1cnc(-c2ccccn2)nc1Oc1ccc(Cl)c2ccccc12
+0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,CID1010739,Cc1onc(-c2ccccc2)c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,0.0,,,,,,,,,0.0,,,0.0,,,,CID1315303,Cc1c(Nc2ncnc3c2cnn3-c2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,0.0,,,,,CID5192235,CC(=O)c1cccc(NC(=O)C2CC(=O)N(c3cccc(C)c3C)C2)c1
+,,0.0,0.0,,,,,,,,0.0,,,,,,CID976717,CC(C)NS(=O)(=O)c1ccc(CCC(=O)O)cc1
+,,,,,,,,,0.0,,,,,,,,CID650318,CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,,0.0,,,CID667680,Nc1ccccc1-c1nc2ccccc2s1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID665539,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccc(F)cc1
+,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID894322,CCOc1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)cc1
+,,,,,,,,,,0.0,,,,,,,CID1391391,CC1(C)CC(=O)c2cc3c(N)c(C(=O)NCc4ccccc4)sc3nc2C1
+,,,,,0.0,,,,,,,,0.0,,,,CID2452036,CCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1
+,,,0.0,,,,,,,,,,,0.0,,,CID5428487,CSC1=C(C#N)C(=C2C=CC(=O)C=C2)C2=C(CCC2)N1
+,,,,,,,,0.0,,,,,,,,,CID6401665,Cc1cnnc2ccc3c(no[n+]3[O-])c12
+,,,,,,,,,,,,,0.0,,,,CID6515898,COc1cccc(/C=C(/C(=O)OCC(=O)NC2CCCCCCC2)c2ccccc2)c1
+,0.0,,,,,,,,,,,,,0.0,,,CID2149949,O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCC(Cc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID826234,Cn1c(-c2ccc3c(c2)OCO3)c(C(=O)O)c(=O)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2878648,OC(COc1ccccc1Cl)Cn1c2ccccc2c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID7315332,CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1
+,,,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,CID663483,CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1cccnc1
+,0.0,0.0,,,,,,,,,,,,,,,CID5757303,C=CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl
+0.0,0.0,,,,,,,,0.0,,,,,,0.0,,CID846928,CCOC(=O)N1CCN(C(=O)Nc2ccc(Cl)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1474810,CCn1c(-c2cc3c(C(F)(F)F)nn(C)c3s2)n[nH]c1=S
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID565846,C=CCN(CC=C)S(=O)(=O)c1ncn[nH]1
+,0.0,0.0,0.0,,,,,,0.0,,0.0,,,,,,CID653705,COc1ccc(Cn2nnnc2C(c2cc3cc(C)cc(C)c3[nH]c2=O)N2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID2998781,N#Cc1ccccc1S(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1328800,N#Cc1ccccc1Sc1ccccc1C(=O)Nc1ccc(Br)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2975312,Cc1c(C#N)c2ccccc2n1CC(=O)NC(C)c1ccccc1
+,,,,0.0,,0.0,,,,,,,,,,0.0,CID2114208,O=C(CN(Cc1ccco1)S(=O)(=O)c1cccs1)Nc1ccccc1C(F)(F)F
+0.0,0.0,0.0,,,,,,,0.0,,,,,0.0,,0.0,CID661074,CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cc3ccccc3o2)C1c1ccccc1
+0.0,,,0.0,,,,0.0,0.0,,0.0,,0.0,0.0,,,,CID976075,CCOC(=O)N1CCN(C(=O)c2ccccc2-c2ccccc2)CC1
+0.0,,,,,,,,,,0.0,0.0,0.0,,,,,CID646268,Cc1nc2cc(N3CCCCC3)c(NC(=O)c3cccnc3)cc2c(=O)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2426577,CCOc1ccc(-c2csc(NC(=O)CSC3=NC(=O)CN3C(C)=O)n2)c2ccccc12
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID814682,COc1ccc(C(=O)Nn2cnnc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2857205,Cc1cccc(N(C(=O)c2ccc(Cl)cc2)C2CS(=O)(=O)CC2OC(=O)c2ccc(Cl)cc2)c1
+,,,,,,,,,,,,,,0.0,,,CID3644807,CCCCn1c(SCC(=O)N2CCC(C)CC2)nc2ccsc2c1=O
+,,,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID120432,C=CCN1C(=O)NC2(CCCCC2)C1=O
+,,,0.0,,0.0,0.0,,0.0,,,,,,0.0,0.0,,CID2307665,CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)c3ccoc3)cc12
+,,,,,0.0,,,,,,0.0,,,,,,CID1446268,CCN(CC)c1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID1072930,COc1ccc(NC(=O)c2ccc3snnc3c2)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,CID1093251,Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2nc3ccccc3s2)cc1
+,,,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,CID2865030,CCCCC(CCC(=O)O)(C(=O)OCC)c1csc(N)n1
+,,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID659825,N#Cc1c(N)n(CCOC(=O)c2cccc(Br)c2)c2nc3ccccc3nc12
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,CID990902,COC(=O)c1ccc(CNC(=O)CSc2nnc(COc3ccccc3)n2C)o1
+,,,,,,,,,,,,,0.0,,,,CID2901255,O=C(Nc1ccc([N+](=O)[O-])cc1)C1(c2ccccc2)CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID5333091,C=CCC1=CC=C/C(=C\Nn2cnnc2)C1=O
+,,,,,,,,0.0,,,,,,,,,CID1095808,COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCC(C)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID821135,CCOn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
+,0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,,,,CID976966,Cc1c(=O)n(OCc2ccccn2)c2ccccc2[n+]1[O-]
+,,,0.0,0.0,,,,,,,0.0,,,,0.0,0.0,CID648599,CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID800700,CN(C)S(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2544132,N#Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID3818185,CCOC(=O)C(C)/C(C)=N/NC(N)=S
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID3491242,CCOCCn1c(CN2CCN(CC)CC2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,,,,,0.0,,,,,,,,,CID661652,CN(C)c1ccc(C2C3C(=O)N(c4ccc(C(=O)O)cc4)C(=O)C3ON2c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5912510,COC(=O)c1c(C)[nH]c(C(=O)/C=C/c2cccc(Cl)c2)c1C
+,,,,,0.0,,,,,,,,,,,,CID793623,CCc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])cc1
+,,0.0,,0.0,,0.0,,,0.0,,0.0,,,,,,CID1292973,O=C(NCc1cccs1)c1ccccc1C(=O)NCc1cccs1
+,,,,0.0,,,,,,,,,,,,0.0,CID655870,COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID2855880,COCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID975688,Cc1nnc(Sc2c(N)n(C)c(=O)n(C)c2=O)s1
+,,,0.0,,,,,,,,,,,,,0.0,CID663088,CCN(CC)C(=O)COn1c(SCC(=O)N(CC)CC)nc2ccccc2c1=O
+,,0.0,,,,,0.0,,0.0,,,,,,,,CID2969019,COc1ccc(N2CCN(C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)CC2)cc1
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,CID4754282,CCCn1c(C2CC(=O)N(c3cc(OC)ccc3OC)C2)nc2ccccc21
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID941326,COc1ccccc1Nc1nc(N)nc(CN2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID2481587,CCOc1ncccc1C(=O)OCc1c(F)cccc1Cl
+,,0.0,,,,0.0,0.0,,0.0,,0.0,,,,,,CID655318,O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)NC1CCCCC1
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID664743,COc1cc(C2c3c(oc4ccccc4c3=O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC
+,0.0,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID1017296,Fc1ccc(CSc2nncn2NCc2ccc3c(c2)OCO3)cc1
+,0.0,0.0,,0.0,,,,,,,0.0,,,,,,CID2981931,CCN1CCN(CC(=O)n2c3c(c4ccccc42)CC(C)CC3)CC1
+,,,,,0.0,,,,,,,,,,,,CID573971,O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccs1
+,,,,,,0.0,,,,,,,,,,0.0,CID654878,CC(C)CC(OC(=O)c1ccco1)C(=O)NCC1CCCO1
+,,,,,,,,,0.0,,0.0,,,,,,CID327121,COc1ccc(C(=O)Nc2cccnc2)cc1
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID3237449,CCCCCn1c(CNC(=O)c2cccs2)nc2ccccc21
+0.0,,,,,,,,,,,,0.0,,,,,CID667309,CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cc(C)ccc2C)CC1
+,,,,,0.0,,,,,,,,,,,,CID5342621,CC(/C=C1\SC(=S)N(C(C(=O)O)c2ccccc2)C1=O)=C\c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID859598,Cc1cc(C)cc(-c2nnc(SCc3ccc(C(=O)O)cc3)o2)c1
+,,,,,0.0,,,,,,,,,,,,CID2852643,CCCCCCCC1(C)NC(=O)N(c2ccccc2)N1
+,,,,,,,,,,,0.0,0.0,,,,,CID658344,C/C(N)=C(\C#N)C(=O)NCCc1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID16195616,COc1ccc(CCNC(=O)Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3sccc32)cc1OC
+,,,,,0.0,,0.0,,,,,,,,,,CID5307277,CC1CCCC(C)N1CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,0.0,0.0,,,,0.0,,,,,,,0.0,0.0,CID1257172,Cc1ccc(-c2cn(S(=O)(=O)c3cccc4nsnc34)nc2N)cc1
+,,,,,,,,0.0,,,,,,,,,CID9551082,Cc1nc2c(C(=O)NCCC(C)C)c[nH]n2c(=O)c1Cc1ccccc1F
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID665712,O=C(NCCc1ccccc1F)C1CSC2c3ccccc3C(=O)N12
+,,0.0,0.0,,,,,,,,,,,,,,CID5309615,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCCCC2)C3C1=O
+,,,,,,0.0,,0.0,0.0,,,,0.0,,0.0,,CID659194,COC(=O)c1ccc(=O)n(Cc2ccco2)c1
+,0.0,,,0.0,,,,,,,,,,,,,CID2049502,Cc1ccc(Sc2c(C)[nH]n(C(C)(C)C)c2=O)cc1
+,,,,,0.0,,,0.0,,,,,,,,,CID136765,CC1=NN(c2ccccc2)C(=O)C1(C)C
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID663696,CCCCOCCCNC(=O)NC(CCSC)C(=O)OC
+,,,,,0.0,,,,,,0.0,,,,,,CID9551325,CN(Cc1ccccc1)C(=O)COc1cc(=O)n(C)c2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID860465,CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,,,,0.0,CID3239636,Nc1cc(C(=O)O)ccc1Nc1ccc(F)c(F)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID808137,CCN(CC)C(=O)COc1cc(C)c(Cl)c(C)c1
+,,,,,0.0,,0.0,0.0,0.0,,,,,,0.0,,CID2576697,CCCn1c(SCCN2C(=O)c3ccccc3C2=O)n[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID5107376,C/N=C1\SC(CC(=O)Nc2c(C)cccc2C)C(=O)N1/N=C/c1cccs1
+,,,,,,,,,,,,0.0,0.0,,,,CID655004,CCc1ccc2[nH]c(=O)c(C(c3nnnn3CCOC)N3CCN(c4ccccc4F)CC3)cc2c1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID702091,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2213353,Cc1ccccc1NC(=O)/C(C#N)=C\c1cccnc1
+,,,,,,,,,,,,0.0,,,,0.0,CID2113884,CSc1ncc(C(=O)O)n1-c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1287122,COC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccccc2)cc1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID5308223,CC1CCCCN1CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,,,,,,,,,,,,,0.0,,,,CID1483615,O=C1Cc2ccccc2C(=O)N1OCc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID4360584,Cc1nc(SCC(=O)NCCc2ccc(Cl)cc2)nc(C)c1C
+,,,,,,,,,,0.0,,0.0,,0.0,,,CID3244126,O=C(CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1)NCC1CCCO1
+,0.0,0.0,,,,,,,,,,,,,,,CID5742496,CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1
+,,,,,,,,,,,,,0.0,,,,CID2879574,COc1ccc(N2C(=O)CC(Sc3nc4ccccc4s3)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID9551773,CSCCC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,0.0,,,,,0.0,,,CID691928,O=C(NCc1cccnc1)c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID573174,CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C
+,,,,0.0,,,,,,,0.0,,,,,,CID3245249,O=S(=O)(NCc1cn2ccsc2n1)c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID5455413,CCN1C(=O)/C(=C\c2c[nH]c3ccccc23)S/C1=N\c1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,,CID5389582,CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCOCCO)C2c2ccc(F)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID7309396,O=C1Nn2c(nc3c(c2=O)CCCC3)/C1=N/Nc1cccc(C(F)(F)F)c1
+0.0,,,,,,,0.0,,,,,0.0,,,0.0,,CID651468,COc1ccc(CNc2ccc3c(c2)nc(C)n3C)cc1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID886703,COc1ccccc1N(C(C)=O)c1nc(C)cc(C)c1C#N
+,,,,,,,,,,,,,0.0,,,,CID313633,Clc1nn2cnnc2c2ccccc12
+,0.0,,,,,0.0,0.0,,,,0.0,0.0,,,0.0,,CID2655002,CC1CCN(CC(=O)Nc2ccccc2C#N)CC1
+,,,,,0.0,,,,,,,,,,,,CID3886109,COC(=O)C1(O)CC(C(C)C)=NN1C(=O)c1ccc(Cl)cc1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID751934,O=C1CNCc2[nH]c3ccccc3c2N1c1ccccc1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID3245802,O=C(O)CCc1nc2cccnc2n1Cc1ccccc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1923815,COc1ccc(/C=N/n2cnc3c([nH]c4ccc(Br)cc43)c2=O)cc1CN1CCOCC1
+,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID3240565,CCn1c(=O)n(CC(=O)Nc2cccc(OC)c2)c(=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1160385,O=C(Nc1nc2ccc(C(=O)N3CCCCC3)cc2s1)C1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1346546,O=C(/C=C/c1ccco1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1
+,,,,,,,,,0.0,,,,,,,,CID2841264,COC(=O)C1C(=O)NCC1c1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID2641974,COc1cccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID3571207,CC1CCCC(n2c(=S)[nH]c3ccccc3c2=O)C1C
+,,,,,0.0,,,,,,,,,0.0,0.0,0.0,CID3240662,COCCn1c(=S)[nH]c2cc(C(=O)N3CCN(c4ccccc4OC)CC3)ccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1045669,CCOc1ccc2nc(SCC(=O)Nc3cc4c(cc3C(C)=O)OCO4)[nH]c2c1
+,,0.0,,,,,,,,,,,,,,,CID3246799,COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)nn1
+,,,0.0,,,,0.0,,,,,,0.0,,,,CID655951,COc1ccccc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID936743,COC(=O)CCc1c(C)[nH]c(N)nc1=O
+,,,,,,,,,,,,0.0,,,,,CID5308392,Cc1cc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)on1
+,,,,,,,,,,,0.0,,,,,0.0,CID870370,O=C(c1cccc(Cl)c1)N1CCN(c2ccccn2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2284918,Cc1ccc(C(=O)NCCSC(C)(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1177881,Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3)sc2Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID2981137,O=C(CN1CCN(c2ccc(F)cc2)CC1)N1N=CCC1c1ccccc1
+,,,,,,,,0.0,,,,,0.0,,0.0,,CID1259590,CCOc1cc(S(=O)(=O)NCc2cccs2)ccc1Cl
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2914368,CC(CC(=O)N1CCc2ccccc21)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1111773,O=C(Nc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccccc1
+,,,0.0,,,0.0,0.0,,,0.0,,,,,,,CID1255988,COc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)n2)cc1OC
+,,,,,,,0.0,,,,,,,,,,CID658617,COC(=O)C1C2CCC(C(=O)OC)(CC2)C1C(=O)OC
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID654073,O=C(c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3999902,CN(C)C(CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1
+,0.0,,1.0,,,,0.0,,,,,0.0,,,0.0,,CID973172,c1cncc(Nc2nc(-c3ccncc3)cs2)c1
+,,,,,,,,,,,0.0,,,,,,CID2838777,CCOc1ccc(C2C(C#N)=C(N)Oc3c2c(=O)oc2ccccc32)cc1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1365756,O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2c(c1)OCO2
+,0.0,,,,,,0.0,,,,0.0,0.0,,,0.0,,CID3237802,Cc1csc(NC(=O)Cc2nn(C)c(=O)c3ccccc23)n1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID5308754,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2649934,CC(=O)c1ccc(S(=O)(=O)Nc2cc3c(cc2C(C)=O)OCO3)cc1
+,,,0.0,,,,,,,,,,,,,0.0,CID3240727,COC(=O)c1cc2occc2n1Cc1c(F)cccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID3593895,COc1cc(C(=O)NCCC(=O)NCCc2ccc(Cl)cc2)cc(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID9550933,CCCCCCCCNc1ncnc2ccccc12
+,,0.0,,,,,,,,,0.0,,,,,,CID645983,CCC(C)(C)n1nnnc1CN(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)C1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID884886,CCN(C(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID3101955,CCOC(=O)c1c(NC(NC(C)=O)C(Cl)(Cl)Cl)sc(C(C)=O)c1C
+0.0,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID3237986,O=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1
+,,0.0,,,,,0.0,,,,,,,,,,CID873004,O=C(Oc1ccccc1)c1cccc(N2C(=O)CCC2=O)c1
+,,0.0,0.0,0.0,,,,0.0,,,,,,,,,CID741450,COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2)c1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2764237,COC(=O)c1ccc(CON2C(=O)c3ccccc3C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID1116953,CC(C)Nc1nc(NC(C)C)nc(N(C#N)CCOc2ccc(Cl)cc2Cl)n1
+0.0,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,0.0,CID1299513,COc1ccc(N2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID4367749,CC1(C)CC(=O)C2=C(C1)N(Cc1cccnc1)C(=O)C2(NC(=O)c1ccc(F)cc1)C(F)(F)F
+,,,,,0.0,,,,,,,,,,,,CID2890554,COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4089972,Cc1sc(NC(=O)c2ccco2)c(C(Nc2ccccn2)c2ccccc2)c1C
+,,,,,,,,0.0,,,,,,,,,CID1246541,CCc1sc(C(=O)Nc2ccsc2C(=O)OC)cc1Br
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID265711,Cc1ccc(-c2oc3ccccc3c(=O)c2O)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID646763,CC(C)(C)NC(=O)C(c1ccco1)N(C(=O)c1ccc(CN2CCOCC2)o1)c1ccccc1
+0.0,,0.0,,0.0,,,,,0.0,,,,,,,,CID2998179,O=S1(=O)N=C2CCCN2C(c2ccc(Cl)cc2)N1
+,,,,,,,,,0.0,,,,0.0,,,,CID826557,O=C(c1ccccc1Sc1cccc2ccccc12)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID1791766,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID9550167,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)NCc1ccc(F)cc1
+,,,,,0.0,,0.0,,,,,0.0,,,0.0,,CID705218,CCOC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12
+,,,,,,,,0.0,,,,,,,,,CID667061,Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC43)C2=O)cc1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID2219854,O=C(CCCCCN1C(=O)CCC1=O)Nc1ccc(Br)cc1F
+,,,,,0.0,,,,,,,,,,,,CID2500823,COc1ccc(OC)c(NC(=O)CSc2ccc3ccccc3c2)c1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID853196,COc1ccc(C(=O)NCc2ccccn2)cc1
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,CID1339710,COc1ccccc1CC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
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+,,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID2208079,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCO2
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+,,,,,,,,,,,,,0.0,,,,CID3593595,O=C(Nc1nnc(C2=COCCO2)o1)c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID756248,CC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)CS(=O)C2
+,,,,,,,,,,,,,,0.0,,,CID2151869,COC(=O)c1ccc(C(=O)OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1
+,,,,,,,,,,,0.0,,,,,,CID3212603,COc1ccc(C(=O)Nc2nnc(-c3cccs3)s2)cc1
+,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,CID3239104,CCC(=O)N(c1ccc(F)cc1)C1C=CS(=O)(=O)C1
+0.0,,0.0,0.0,,0.0,,,,,,,,,,,0.0,CID3238049,O=C(CCn1nc(-c2ccc(Cl)cc2)ccc1=O)NCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2768366,COc1ccc(-c2ccc(C(=O)O)c(=O)[nH]2)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID3336951,CC(=O)Nc1c(-c2ccccc2)nc2ncccn12
+,,,,,,0.0,,,,,,,,,,,CID5389317,COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCN(C)C)C2c2cccc(Cl)c2)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID5706980,CON/C=C(\C=N\c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,,,0.0,,,,,,,CID5308661,Cc1ccc(C)c(N2CCN(CCCNC(=O)Cn3cc4c(n3)CCCCC4)CC2)c1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1488426,COC(=O)c1c(C(=O)OC)c(-c2ccccc2)n2c1CS(=O)(=O)C2
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2979895,COc1c(F)c(F)c(C(=O)Nc2ccccc2N2CCN(C(C)=O)CC2)c(F)c1F
+,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,,,,CID2292963,O=C(NCCCN1CCOCC1)c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID2896605,CCC(C)C12CN3CCN(CC(C)(C3)C1=O)C2
+,,,0.0,,,,,,,,,,,,,,CID658470,OCC(CO)(CO)n1cnnn1
+,,,,,,,,,,,,,0.0,,,,CID3736219,COCCOc1cc(Nc2nnc(C(F)(F)F)s2)c(Cl)cc1Cl
+,,0.0,,,,,0.0,,,,,,,,,,CID6398916,CCOC(=O)CN(C(=O)CSc1nnc2c(n1)[nH]c1ccccc12)c1ccccc1
+,0.0,,,,,0.0,,,0.0,0.0,,,,,,0.0,CID961784,CS(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID890727,O=C(/C=C/c1ccco1)Nc1ccccc1N1CCCC1
+,,,,,,,0.0,,,,,0.0,,,,,CID251561,COC(=O)C1=COC(C)C2CN3CCc4c([nH]c5ccccc45)C3CC12
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID900483,Cc1ccc(Cl)cc1N1CCN(S(C)(=O)=O)CC1
+,,,,,,,,,,,,0.0,,,,,CID606904,COc1ccc(/C=N/n2nnc3ccccc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID5394858,O=C1Oc2ccccc2C(=O)/C1=C/Nc1ncccn1
+,,,,,0.0,,,,,,,,,,,,CID1079402,O=C(Nc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,0.0,,,,,,,,,,,,,,,CID655394,O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCC(c3nc(-c4cccnc4)no3)C2)cc1
+,,,,,0.0,,,0.0,,,,,0.0,,,,CID1079385,CCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cccs3)cc12
+,,,0.0,,,,,,0.0,,0.0,0.0,,,0.0,,CID718726,CCc1ccccc1NC(=O)CSc1ncn[nH]1
+,,,,,,,,,0.0,,,,,0.0,,,CID807603,COc1ccc(NC=C2C(=O)c3ccccc3C2=O)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID4168223,Cc1cc(NC(=S)N(CCCN2CCN(C)CC2)Cc2ccco2)ccc1Cl
+,,,,,,,,,,,0.0,,,0.0,,,CID3192794,Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID976213,CC(C)NC(=O)c1ccccc1-c1ccccc1
+,0.0,,,,,,,0.0,0.0,,,,,,0.0,,CID2192919,CC(C)CNC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
+,,,,,,,0.0,,,,,,,,,,CID5310821,O=C(/C=C\Nc1ccccn1)c1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID662636,CC12CN3CC(C)(CN(C1)C3c1cccs1)C2
+,,,,,,,,0.0,,,,,,,,,CID9550288,CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)cc1
+,0.0,,0.0,,,,0.0,,,0.0,,,,,,,CID3245160,CC1CN(C(=O)CCn2c(=O)oc3ccccc32)CC(C)O1
+,,,,,,,0.0,,,,,0.0,,,,,CID3238329,CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC2CCCO2)/c1=N/C(C)=O
+0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID652729,Cc1ccc(S(=O)(=O)N2CCN(Cc3cccc(C)c3O)CC2)cc1
+,,0.0,,,,,,,,,,,,0.0,0.0,,CID3236456,CCOC(=O)CNC(=O)c1cn(CC(C)C)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,0.0,,,,CID895943,CC(C)OC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2
+,,,,,,,0.0,,,,,0.0,,,,,CID738906,CC(=O)N1CC2(C)CN(C(C)=O)CC(C)(C1)C2O
+,,,,,,,,,,,,,0.0,,,,CID978222,Cc1nnc(SCc2cccc([N+](=O)[O-])c2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID519685,CN(C)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3478721,CC(=O)NCc1c(Cl)cccc1-n1cccc1
+,,,,0.0,,,,,,,,,,,,,CID3238659,COc1ccc(C(=O)NCc2cn3c(C)csc3n2)cc1OC
+,,,0.0,,,,,,,,,,,,0.0,,CID1897249,COC(=O)/C(C(C)=O)=C(\C=C\C=C\N(C)C)N(C)C
+,,,,,,0.0,0.0,,,,,0.0,,0.0,,,CID3236271,CCOC(=O)N1CCN(c2c(-c3ccc(C)cc3)c(=O)c2=O)CC1
+,,,,,,,,,,,,0.0,0.0,,0.0,,CID2106397,Cc1ccc(CNC(=O)CN2CCC(C(N)=O)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID5739221,CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccc(OC)c2OC)cc1Cl
+,0.0,,0.0,,,,,,,,,,,,,,CID4896074,CN1CCN(Cc2nc3c(c(=O)[nH]c(=O)n3C)n2CCc2ccccc2)CC1
+0.0,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID1164173,CCOc1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c1
+0.0,0.0,,,0.0,,,,,,,,,0.0,,0.0,,CID2111848,COc1ccc(OCCSc2nnc(-c3ccoc3C)n2C)cc1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID1798129,CCCC(=O)N1CC2(C)CN(C(=O)CCC)CC(CCC)(C1)C2=O
+,,0.0,,,0.0,,,0.0,0.0,,0.0,,,,,0.0,CID653606,COc1ccc(CCNC(=O)C2CCCN2C(=O)Nc2cccc(C(C)=O)c2)cc1OC
+,,,,,,,,0.0,0.0,,,,,,,,CID5389910,CCOC1=CC(=O)/C(=C2\NNC(C)=C2Oc2ccc(OC)cc2)C=C1
+,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0,CID2999848,O=C(NC12CC3CC(CC(C3)C1)C2)C1=COCCO1
+,,,,,,,,,,,,,,0.0,,,CID1562744,CCCCOC(=O)Nc1ccc(N(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID2434486,CCOc1ccc(C(=O)NCC(=O)OCc2c(C)noc2C)cc1
+,,,,,,,,,,,,0.0,,,,,CID3239556,CC1(C)CC(=O)C(C(=O)CCCCC(=O)C2C(=O)CC(C)(C)CC2=O)C(=O)C1
+,,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID885464,CC(C)=C1SC(N2CCN(Cc3ccccc3)CC2)=NC1=O
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID655192,CCCN1CCN(c2ncnc3c2nnn3Cc2ccccc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID702070,Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccccc2)o1
+0.0,0.0,0.0,,,,,,,,,,0.0,,,,,CID1588954,CCCCNc1ncnc2c1cnn2-c1ccc(Cl)cc1
+0.0,0.0,,1.0,,,,,,0.0,,0.0,,,,,0.0,CID1316845,O=C(Nc1ccc(O)cc1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
+,,,,,0.0,,,,,,,,,,,,CID2273921,COCCCNC(=O)C(=O)NCCc1ccc(OC)c(OC)c1
+,,,0.0,,,,,0.0,,,,,0.0,,,,CID6324540,Cc1cc(N2CCC(N(C)C3CCCC3)CC2)[nH]c2cc(=O)ccc1-2
+,,,,,,0.0,,,,,,0.0,,,,,CID752257,O=C1c2ccccc2C(=O)N1CCn1c(=O)oc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID3116400,O=[N+]([O-])c1ccc(O)c(NC(=S)Nc2ccccc2)c1
+,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID659272,C=CCn1c(O)cc(=O)nc1SCC(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,0.0,,,,,,,,,0.0,CID644903,CC(C)n1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID605552,Cc1nc(NC(CC(C)C)C(=O)O)c2nc(C)oc2n1
+,,,,,,,,,,,0.0,,,,,,CID3150881,CCC(C)n1c(O)c(C(c2ccccn2)c2c(O)n(C(C)CC)c(=S)[nH]c2=O)c(=O)[nH]c1=S
+,,0.0,,,,,,,,,,,,,,,CID2997714,COCCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1
+,0.0,,,,,,,,,,,,,,,,CID2090539,Cc1cc(C)n2c(SCC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)nnc2n1
+,,,,,,,,0.0,,,,,,,,,CID2490732,Cc1cc(NC(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)no1
+,,,0.0,,,,,0.0,,,,,,,,,CID664851,COC(=O)C(C)NC(=O)Nc1ccc(OC(F)(F)F)cc1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,,CID666238,O=C(CCCc1nc(-c2ccccc2Cl)no1)NCc1cccnc1
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID709881,CCOc1ccccc1N1C(=O)c2cccnc2C1=O
+0.0,,,,,,,,,,,,,,,0.0,,CID1248570,COc1ccc(NC(=O)NCCN2CCc3ccccc3C2)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID662424,Cc1nc(SC2CC(=O)N(c3ccccc3)C2=O)nc2c1CCCC2
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID807071,O=C(c1ccccc1)c1ccc(OC(=O)N2CCOCC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2948303,Cc1ccccc1C(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2857128,O=C(CSCc1cccc(Cl)c1)N/N=C/c1ccc(OCC(=O)N2CCCCC2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID730903,Cc1ccccc1NC1=NS(=O)(=O)c2ccccc21
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID2859981,CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCN(C(=O)OCC)C2
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID679762,Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccccc1
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3919688,COc1ccc2[nH]c(C)c(CCN3C(=O)C4CC=CCC4C3=O)c2c1
+,,,,,,,,0.0,,,,,,,,0.0,CID2998454,Cc1cc(=S)cc(C)n1CCCn1ccnc1
+,,,,,,,,,,,0.0,,,,,,CID5918495,[O-]C1=N/[N+](=C/c2ccc(Cl)c(Cl)c2)CC1
+0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,0.0,0.0,,CID652548,CCN(CC)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cn2)c1
+,,0.0,,,,0.0,,,0.0,,,,,,,,CID3238748,O=C(Nc1ccc2c(c1)OCO2)C(c1ccccc1)N1CCC2(CC1)OCCO2
+,,0.0,,,,0.0,,,,,,,,,,,CID5309705,COc1ccc(CCNC(=O)c2cnn3ccccc23)c(OC)c1OC
+0.0,0.0,,0.0,,,,,,0.0,,,,,,,,CID5308628,C=CCSc1nnc(Cn2c(=O)sc3ccccc32)n1C
+,,,,,0.0,,,,,,,,,,,,CID1364769,COc1ccc(-c2nnc(NC(=O)c3ccccc3F)s2)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID2155775,O=C(CSc1nnc(-c2ccc(Cl)s2)o1)N1CCc2ccccc21
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID665041,CCC(=O)NCCC(c1ccco1)c1ccccc1OC
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID2453350,O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccco1
+,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID603066,Cc1cc(=O)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)[nH]1
+0.0,,0.0,,,,,,,0.0,,0.0,0.0,,,,,CID2998412,CCN(CC(=O)Nc1cccc(OC)c1)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
+,,0.0,,,,,,,,,,,,,,,CID1258272,CCOC(=O)C1CCN(S(=O)(=O)c2cc(Cl)c(C)cc2OC)CC1
+,0.0,,,,0.0,0.0,,0.0,,,0.0,0.0,,,,,CID626848,CCCCn1c(-c2ccccc2)nc2c(=O)n(C)c(=O)[nH]c21
+,,,,,,,,0.0,0.0,,,,,,,,CID531884,Cc1cccc(NC(=O)C2CCCC2)c1
+,,,,,,,,0.0,,,,,,,,,CID722801,Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID804518,COc1ccc(C(=O)c2ccccc2)cc1Br
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID3235751,Cc1cccc(N2CCN(S(=O)(=O)c3ccc4c(c3)CCN4C(=O)CCC(=O)O)CC2)c1C
+,,0.0,,,,0.0,,,,,,,,,,,CID5771482,COc1ccc(C2C=C(c3cccs3)N=C3N=C(CCCO)NN32)cc1
+,,,,,,,,,,,0.0,,,,,,CID975401,Cc1cc(C)nc(SCC(=O)c2ccc3c(c2)OCCO3)n1
+0.0,,,,,,,,,,,0.0,,,,,,CID782774,CN1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1
+,,0.0,,,,,,,,,,0.0,,,,,CID1292507,Cc1ccc(-n2c(SCC(=O)NCc3ccco3)nc3sc(C)c(C)c3c2=O)cc1
+,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID1518588,Cc1cc(C)n2c(SCCN3C(=O)c4ccccc4C3=O)nnc2n1
+0.0,0.0,,,0.0,,,,0.0,,0.0,,0.0,,,,0.0,CID1261934,CS(=O)(=O)N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1
+,,,,,,0.0,,,,,,,,,,,CID646339,O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1
+,,,,,0.0,,,,,,,,,,,,CID760274,Cc1ccc2oc(Nc3nc(=O)cc(C)[nH]3)nc2c1
+,,,0.0,,,,,,,,,,,,,,CID664390,N=c1c(C(=O)NCc2ccc(F)cc2)cc2c(=O)n3ccccc3nc2n1CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID990668,Cc1ccc(C(=O)Cn2nnc3c(sc4nc5c(c(-c6ccccc6)c43)CCC5)c2=O)cc1
+,,,,,,,,,0.0,,,0.0,,,,,CID790847,CSc1nnc(-c2ccco2)n1-c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID9550357,COc1ccc2cc3cc(C(=O)N4CCN(c5ccccc5)CC4)oc3nc2c1
+,,,,,,,,,,,0.0,,,,,,CID4090887,COc1ccc(OC)c(-n2c(=S)[nH]c3cc(C(=O)N4CCC(C(N)=O)CC4)ccc3c2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID5629536,O=C1NC(=S)NC(=O)C1=NNc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID711478,O=C(CCC1CCCCC1)Nc1nccs1
+,,,,,0.0,,,0.0,,,,,,,,,CID2379693,CC(=O)Nc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5346289,Cc1ccc(C(=O)/C=C/c2ccccc2OCc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2025244,COc1ccc(-c2nc(C#N)c(N3CCC(C(N)=O)CC3)o2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID901880,Cc1ccc(-n2c(Cn3c(C)nc4ccccc43)n[nH]c2=S)cc1
+,,,,,,,,,,,,,0.0,,,,CID9550809,Cc1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)C2CCCCC2)c(C)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID1247465,Cc1onc(-c2ccccc2)c1C(=O)N1CCC2(CC1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID1865793,Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1382379,O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)NNC(=O)c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID1132508,Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl
+,,,,,,,,,,,,,,0.0,,,CID16187641,CSc1ccc(C(=O)C2CCCN(C(=O)c3cccc(N4CCOCC4)c3)C2)cc1
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID775360,Cc1nc2ccc(NC(=O)c3ccc(Cl)s3)cc2s1
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID790290,O=C(Nc1cccc2ccccc12)c1ccc(Br)o1
+,,,,,,,,,0.0,,,,,0.0,,,CID2062923,Cc1sc2ncnc(NCc3cccs3)c2c1C
+,,,,,,,,,,,,,,,0.0,,CID3245397,O=C(NCCN1CCCC1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
+,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,,CID2186745,CCOc1ccccc1N/C=C/C(=O)C(C)(C)C
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID3244824,Cc1cc(C)n2nc(SCc3cc(=O)n4c(C)cccc4n3)nc2n1
+,,,,,,,,,,,0.0,,,,,,CID915006,Cc1c(C(=O)CN2CCSCC2)c2ccccc2n1C
+,,,,,,,,,,,0.0,,,,,,CID4265899,CS(=O)(=O)c1ccccc1COC(=O)Nc1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1076781,Cc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2
+0.0,,0.0,,,,,,,,,,,0.0,,,,CID657891,C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1Cl
+,0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,CID2363388,O=c1c2ccccc2n2cnnc2n1-c1ccccc1
+,0.0,,,,,0.0,,0.0,,,,0.0,,,0.0,,CID2941117,O=C(Nc1ccc(Cl)cc1C(=O)NCC1CCCO1)c1ccco1
+0.0,,,0.0,0.0,,,,0.0,,,,,,,,0.0,CID655021,COc1ccc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1
+,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID3236247,COc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC
+0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID653450,NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1CC1CCCO1
+,,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,,CID665251,CCc1nc(Sc2nc(C)cc(C)n2)c2oc3ccccc3c2n1
+,,,,,,0.0,,,,,,,,,,0.0,CID699697,CCC(=O)Nc1ccc(F)c(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID3405291,CC1=C(C(=O)Nc2ccccc2)C(c2ccc(Cl)cc2)n2c(s/c(=C\c3cccc(OCC(=O)O)c3)c2=O)=N1
+0.0,,0.0,,,,,,0.0,,0.0,,,0.0,,,,CID659898,COc1ccc(OC(=O)c2cc3ccccc3o2)cc1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID895406,Cc1ccc(C)n1NC(=O)c1ccc(O)cc1
+,,,,,,,,0.0,0.0,,,0.0,0.0,,0.0,,CID644783,O=C(CC12CC3CC(CC(C3)C1)C2)N1CCCOC1
+0.0,,,,,,,0.0,,0.0,,0.0,,,,,,CID1290444,CC(C)CC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID649142,CC1CCCN(S(=O)(=O)c2ccc(NC(=O)c3cccc(-n4cnnn4)c3)cc2)C1
+,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,,,0.0,CID2216210,CC1(C)NC(=O)N(CCCCOc2ccc3c(c2)CCC3)C1=O
+,,,,,,,,,,,,,0.0,,,,CID112609,Cc1sc2ccccc2[n+]1CCC(C)S(=O)(=O)[O-]
+,,,,,0.0,,,,,,0.0,,,,,,CID2933620,CC(Nc1cc(N2CCN(C(=O)C(C)(C)C)CC2)ccc1[N+](=O)[O-])c1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID5308644,COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl
+,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID729460,COC(=O)CSc1ccc2c(N)c(C(=O)OC)sc2c1
+,,,,,,,,,,,0.0,,,,,,CID9551293,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NC(C)c3ccccc3)ccc21
+,,,,,,0.0,,,,,,,,,,,CID5333974,CC1=CC(=O)/C(=C2/C=C(c3ccccc3Cl)NN2)C=C1
+,,,,,,,,,,,0.0,,,,,,CID1474461,O=C(OCn1ncc(Cl)c(Cl)c1=O)c1ccccc1Cl
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID2857324,COc1cc(CN2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID16188317,CCCCN(C)C(=O)c1nc2ccccn2c1CNCCCn1nnc2ccccc21
+,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID980323,O=C(Nc1nccs1)c1ccc(CSc2nnnn2-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID889285,COc1cc(C=O)ccc1OC(=O)c1ccncc1
+,,,,,,0.0,,0.0,,,0.0,0.0,,,,,CID2917778,COc1ccc(OC)c(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID5308923,Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)N3CCCC3)o2)cc1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3238625,CC(=O)c1sc(Nc2nc3ccc(F)cc3s2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID5338585,CCc1ccc(/C=N/n2cnnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID726201,CC(=O)Nc1ncc(Cc2cccc(Cl)c2)s1
+,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,CID2273146,Cc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1C
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID3244053,O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc2cccnc12
+,,,0.0,0.0,,,,,,,,,,,,,CID652103,CCOc1ccc(NC(=O)C2CC(=O)N(CC)/C(=N\c3ccc4c(c3)OCO4)S2)cc1
+,,,,,,,,,,0.0,,,,,,,CID9550738,Cc1c(NC(=O)c2noc(C(C)C)c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,0.0,,,0.0,,,,,CID5310010,O=C(Cn1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O)NC1CCCCC1
+,0.0,,,,,0.0,,,,,,0.0,,0.0,,,CID656032,CCCC(=O)Nc1cc(C)c(NC(=O)c2ccccn2)cn1
+0.0,,,,,,,,,0.0,0.0,,0.0,,,,,CID2997853,O=C(OCc1ccccc1)C1CCCN1C(=O)c1cccs1
+,0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,0.0,CID1102806,CCOC(=O)Nc1sc(C)nc1-c1ccccc1
+,0.0,0.0,0.0,,,,,,,0.0,,,0.0,,0.0,,CID1244933,CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccco3)c2CO1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID571582,CCOC(=O)C(O)(NC(=O)c1cccnc1)C(F)(F)F
+,,,,,,,,,,0.0,,,,,,,CID4109606,CCOc1cc2[nH]c(=O)n(CCC(=O)NCc3ccc(OC)cc3)c(=O)c2cc1OCC
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID2862170,Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C3CCCO3)cc2)n1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID2221285,COCCNC(=O)c1cc(-c2cccnc2)nc2ccc(Br)cc12
+,,,,,,,,,,,,,,0.0,,,CID16190830,CN(Cc1nc(Cc2cccc(F)c2)no1)CC1CCOCC1
+,0.0,0.0,,,0.0,,,,,,,0.0,,,,,CID2997705,N#Cc1cccc(NC(=O)COc2ccc(-n3ccnc3)cc2)c1
+0.0,,0.0,,0.0,,,,,,,,,,,,0.0,CID3243466,Cc1ccccc1Cn1cc(NC(=O)c2noc3c2CC(C(C)(C)C)CC3)cn1
+,,0.0,,,,,,,,,,,,,,0.0,CID664235,CC1(C)Cc2c(c(=S)nc(-c3ccccc3)n2CCCN2CCOCC2)CO1
+,,,,,,,,,,0.0,,,0.0,,,,CID2696880,CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccc(C)c(C)c3)ccc21
+,,,,,,,,0.0,,0.0,,,,,,,CID2196063,O=C(NCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3243723,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C
+,,0.0,,,,,,,,,,0.0,,,,,CID2933488,O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1
+,,,0.0,0.0,,,,,,,,,,,,,CID660066,CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(O)c(OC)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2354375,COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1
+,,,,,,0.0,,,,0.0,,,,,,,CID645332,CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1
+,,,0.0,0.0,,,0.0,,,,,,,,0.0,,CID874518,Cc1occc1C(=O)Nc1nccs1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID5308676,COCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID5742523,CCCn1c(SCC(=O)/C(C#N)=C(\C)N)n[nH]c1=O
+,,,,,0.0,,,,,,,,,,,0.0,CID3240955,COc1ccccc1CN1CC(C(=O)NC2CCCCC2)CC1=O
+0.0,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID3242741,Cc1nnc(C)n1/N=C/c1cccc(Oc2ccccc2)c1
+,,0.0,,,,0.0,,0.0,,,,,,,,,CID2187415,O=C1CC(=O)N(CCc2ccccc2)C(=O)N1CCc1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID5309723,Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n(C)c3ccccc3c21
+,,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID79869,Nc1ccccc1-c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID4918925,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)NCCOc3ccccc3Cl)ccc21
+,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,,CID2197691,C=CCNC(=O)c1ccccc1NS(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2117898,COc1ccccc1NC(=O)/C=C/c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID2192244,Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3810882,COC(=O)C(C)(C(=O)OC)c1ccc([N+](=O)[O-])cn1
+,,,,,0.0,,,,,,,,,,,,CID902922,O=C(N/N=C/c1ccccn1)C1CC1
+,,,,,,,,,,,,,,0.0,,,CID2829597,CN(C)CCNc1ccc(Cl)cc1[N+](=O)[O-]
+,,,,,,,,0.0,,0.0,,,,,,,CID1482779,Fc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1
+,,,0.0,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,CID706115,Cc1ccc(C)n1-n1c(C)nc2scc(-c3cccs3)c2c1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID2290378,N#Cc1c(NCCN)nc(-c2ccccc2)c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2882008,CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\N(C)C
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID976409,Cc1ccc(C)c(S(=O)(=O)Nc2ccc3scnc3c2)c1
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,0.0,CID2978211,Cc1ccccc1NC(=O)Cc1nnc(SCC(=O)N2CCN(c3ccccc3)CC2)n1C
+,,,,,,,,,0.0,,,,,,,,CID604735,Cc1ccc(-c2cc(=O)[nH][nH]2)c(C)c1
+,,,,,,,,0.0,,,,,,,,,CID3220527,CCCC(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
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+,,,,,,,,0.0,,,,,,,,,CID4882951,Clc1ccc(-n2nnnc2SCc2cn3ccccc3n2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID987913,Cc1csc(-c2cc3ccc(OCc4c(F)cccc4Cl)cc3oc2=O)n1
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+,0.0,,0.0,,,,,,,,,,,,,,CID644844,Cc1onc(-c2ccccc2)c1C(N)=O
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+,,,,,,,0.0,,,,,,,,,,CID3247968,CCC(=O)NCCc1cc2ccc(C)cc2[nH]c1=O
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+,,,0.0,,,0.0,0.0,,,,,,,,,,CID2999134,Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)Nc2ccc3c(c2)CCC3)cc1
+,,0.0,,,,,,,0.0,,,0.0,0.0,,0.0,0.0,CID2892989,O=C1CC(Cc2ccc(Cl)cc2)C(=O)N1c1ccccn1
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+,0.0,,,,,0.0,0.0,,,,,,,,,,CID3240229,CCn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21
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+,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID935979,Clc1cccc(-c2nn3c(-c4ccncc4)nnc3s2)c1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID645675,O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1C1CCCC1)N1CCSCC1)OCCO3
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+,,,,,0.0,,,0.0,,,,,,,0.0,0.0,CID3154282,COC(=O)C(Cc1ccccc1)NC(=O)CSc1nc(=O)cc(C)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID739039,O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccs1
+,,,,,,,,,,0.0,,,,,0.0,,CID2290248,CCCCOCCCNC(=O)c1ccccc1OCC
+,0.0,,0.0,,,,,,,,0.0,,0.0,,,,CID658698,Cc1ccc(Nc2nc3no[nH]c-3nc2=O)cc1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID2256111,O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCOCC1
+,,0.0,,,,,,,,,,,,,,,CID881441,COc1cc(/C=N/n2cnnc2)ccc1OC(=O)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID4576339,O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID909516,COC(=O)N/N=C(\C)c1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID776448,O=C(O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID850749,O=C(Cc1noc2ccccc12)Nc1ccc2ccccc2c1
+,,,,,,,,,,,,,,0.0,,,CID2172543,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1
+,,,,,,,,,,0.0,,,,,,,CID5151032,Nn1c(Cc2cccc3ccccc23)nnc1SCn1nnc2ccccc2c1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID2202857,CC1=C(C)C(=O)N(CCC(=O)O)C1=O
+,,,,0.0,,,,,,,,,,,,,CID3240408,CS(=O)(=O)c1ccc2nc(NC(=O)C3C4C=CC(C4)C3C(=O)O)sc2c1
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+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID3107555,CCN(/N=C/c1cccs1)c1cc(=O)n(C)c(=O)[nH]1
+,0.0,,0.0,,,,,,0.0,,,,,,,0.0,CID654702,CCCCC(=O)Nc1ccc(Cl)cn1
+,,,,,0.0,,,,,,,,,,,,CID2841783,N/C(=N\OC(=O)C1CCCCC1)c1cccc([N+](=O)[O-])c1
+,,,,,0.0,,,,,,,,,,,,CID1138540,COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID665339,CCOC(=O)CNC(=O)CSc1nc2ncc(Br)cc2[nH]1
+,0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,CID3237839,CCOC(=O)N1CCN(C(=O)c2cccc(-n3c(=S)[nH]c4cc(Cl)ccc4c3=O)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2028871,CC(C)c1ccc(NC(=S)NNC(=O)c2cccs2)cc1
+0.0,,,,,,0.0,,,0.0,0.0,,,,,,,CID2952305,O=C(CN1CCOCC1)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
+,0.0,,,,,,0.0,,,,,,,,,,CID6398919,CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(CCOC)C2c2ccncc2)c1
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+,,,,0.0,,,,,,,,,,,,,CID3245041,Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)cc1F
+,0.0,0.0,,,,,,,,,,,,,0.0,,CID2135659,Cc1ccc(NC(=O)Cn2nnc(C(=O)NCc3ccccc3)c2N)cc1C
+0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,0.0,,CID2881968,OC1CN=C2CCCc3c2n(c2ccc(Cl)cc32)C1
+,,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID1505270,COc1ccc2oc(C(=O)CCC(=O)O)c(N)c2c1
+,,,,,,,,,,,,,,0.0,,,CID2368352,Cc1ccc(/C=N/n2cnc3sc(C)c(C)c3c2=O)o1
+0.0,,,,,0.0,,,,,,,,,,,,CID3241690,c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID901910,NS(=O)(=O)c1cccnc1Nc1c(Cl)cccc1Cl
+,,,,,,,0.0,,,,,,,0.0,0.0,0.0,CID532088,COCC(=O)Nc1cccc2ccccc12
+,0.0,,,,,,,,,0.0,,,,,,0.0,CID3241779,CC(=O)c1c(C)nc(-c2ccc(Cl)cc2)nc1/N=C/N(C)C
+,,,,,,,,,,,0.0,,,,,,CID2455103,O=c1nc(-c2ccccc2)n2n(Cc3ccccc3)c(O)c3ccccc3c1-2
+,,,,,,,,,,0.0,,,,,,,CID2093488,CC(=O)N1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1
+,0.0,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID652989,CCNc1nc2nonc2nc1NCC
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID897087,COc1cc(SC)ccc1C(=O)Nc1ccon1
+,,,,,,,,,,,,,,0.0,,,CID5322450,COc1ccccc1/C=C/C1C(C(=O)OCC(C)C)=C(C)N=C2SCCC(=O)N21
+,,,,,,,,0.0,,,,,,,,0.0,CID685244,CCOc1ccc(C(F)(F)F)cc1NC(C)=O
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,,,CID653449,Cc1c(C(=O)N2CCCC2)sc(NC(=O)c2cccs2)c1C#N
+,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,,CID3241288,O=C(Nc1ccccc1)N1CCn2c(nc3ccccc32)C1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID667360,COc1ccccc1Nc1nc(N)nc(CN2CCN(c3ccccc3)CC2)n1
+,,,0.0,,,0.0,,,,,,,,,,,CID2997639,Cc1cccc(N2CCN(C(=O)n3ccnc3)CC2)c1C
+0.0,,,,,,,,0.0,0.0,,,0.0,,,,,CID2083491,Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1
+,,,,,,,,,,,0.0,,,,,,CID1569283,CCOC(=O)c1cnc2ccc(Br)cc2c1NCCO
+,,,,,,0.0,,0.0,,,,,,,,,CID658330,CCOC(=O)c1c[nH]n2c1nc(=O)c1ccccc12
+0.0,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID652248,COc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID9551587,N/C(=N\OS(=O)(=O)c1ccc2ccccc2c1)c1ccncc1
+,,0.0,,,,,,,,,0.0,,,,0.0,0.0,CID1616739,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3n[nH]c(-c4ccccc4)n3)cc2)c1C
+,,,0.0,,,,,,,,,,,,0.0,,CID2972938,CCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O
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+,,,,,,,,,,,,,,,0.0,,CID3243680,CC1CCC(NC(=O)c2cc3c(s2)CS(=O)(=O)C3)CC1
+,,,,0.0,,,,0.0,,,,,0.0,0.0,,,CID741675,CSc1nsc(SC)c1NC(=O)OC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID740904,COc1ccc2oc(=O)c(C(=O)Nc3ccc(C(C)=O)cc3)cc2c1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2355993,O=C(CN1CCOCC1)Nc1nc2ccc(Br)cc2s1
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID3241298,COc1ccc(-n2nc3c(c2NC(=O)c2c(-c4ccccc4Cl)noc2C)CS(=O)(=O)C3)cc1
+,0.0,,,0.0,,0.0,,0.0,,,,,0.0,,0.0,,CID654165,CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O
+,0.0,,0.0,,1.0,,,,,,,,,,,,CID6400942,Clc1ccccc1CSc1nnc(-c2ccco2)c(-c2ccco2)n1
+,,0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,CID763944,CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,0.0,,CID889333,O=C(Nc1ccccc1N1CCCCC1)c1cccc(F)c1
+,,,0.0,,,,,,,,,,,,,,CID3236340,CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)N1CCOCC1)cn2C
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID684795,Cc1nn(Cc2ccccc2)c(N)c1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID577194,Cc1ccc(C(=O)NCCCNc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2893095,COC(=O)c1ccc(NC(=O)CSC2=NC(=O)C(c3ccccc3)C(=O)N2)cc1
+,,,,,,,,,0.0,,,,,,,,CID608338,CC12CN3CN(C1)CC(c1ccccc1)(C3)C2=O
+,,,,,,,,,,,,,0.0,,,,CID2403391,O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccnc2)nc2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID3116089,CCCOc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1
+,0.0,,,,,,,0.0,,0.0,,0.0,,0.0,,,CID664840,CNc1oc(-c2ccco2)nc1C#N
+,,,0.0,,,0.0,,,,,,,,,,,CID3864482,CCOC(=O)N1CCC(NC(=O)c2cnc3n(c2=O)CCS3)CC1
+,,,,,0.0,,,,,,,0.0,,0.0,,,CID3243681,CCn1ncc(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1C
+,,,,,0.0,,,,,,,,,,,,CID2765837,CCOC(=O)C(CSCc1ccccc1)NC(=O)OC(C)(C)C
+,,,,,,,,,,,,0.0,,,,,CID2876018,CCOC(=O)C1Cn2c(nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)S1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2309400,COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID729155,O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2772508,OCCn1c(SCCOc2ccccc2)nc2ccccc21
+,,,,0.0,,,,0.0,,,0.0,0.0,,,,,CID2220255,CCOC(=O)c1ccc(COc2nc3ccccc3nc2-c2ccccc2NC(C)=O)o1
+,,,,0.0,,,,,,,,,0.0,0.0,,,CID1329176,CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID5308475,O=C(NCc1ccccn1)c1cc2ccccn2n1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,0.0,CID879154,Cc1cc(=O)n2[nH]c(C)c(-c3ccccc3)c2n1
+,,,,,0.0,,,,,,,,,,,,CID744236,CN(C)c1ccc(-c2nc3ccccc3n2C)cc1
+,0.0,,,,,,0.0,,0.0,,,,,,,,CID5741945,O=C1CC(N2CCN(C/C=C/c3ccccc3)CC2)C(=O)N1Cc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1078676,O=C(c1cccs1)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1
+,,,,,,,,,,,,,,,,0.0,CID3245297,Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCOCCO)c3nc12
+,,0.0,,,,,0.0,,,,,,,,,,CID3240336,COC(=O)c1ccccc1NC(=O)c1noc2c1CCC2
+,,,,,0.0,,,,,0.0,,,,,,,CID4371854,Cc1cc(=O)nc(-n2[nH]c(C)cc2=O)[nH]1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID704274,CC(C)COc1ccc(/C(=N/O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1479881,CCCn1ccc(=O)c(Cc2ccc(Cl)cc2)c1O
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID651355,CCCCCCSc1ncc(C#N)c(N)n1
+,,,,,0.0,,,,,,,,,,,,CID9550294,COc1ccc(OC)c(NC(=O)C2CCCN(S(=O)(=O)c3cccc4nonc34)C2)c1
+,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,0.0,,CID646883,Cc1cc(N)n(C2CCN(C)CC2)n1
+,0.0,,,0.0,,,,,0.0,,,,,,0.0,,CID1288791,Cc1cc(C(=O)CSc2n[nH]c(N)n2)c(C)n1-c1cc(F)ccc1F
+,,,,,,,0.0,,,,,,,,,,CID750163,COc1ccc(Nc2nc(C)cc(C)c2C#N)cc1
+,,,,,,,,,,,,,0.0,,,,CID16187119,O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NCC1CCCO1
+,0.0,,0.0,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,CID2043591,Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccco1
+,,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,CID3244668,CC(C)CCN1C(=O)CCC1(C)C(=O)NC1CCCCCC1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID3237392,Cc1cccc(NC(=O)CCN2C(=O)C3C4C=CC(C4)C3C2=O)n1
+,,,,,,,,0.0,,,,,,,,0.0,CID840845,Nc1nnnn1/N=C/C(Br)=C/c1ccccc1
+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID4557019,Cc1ccc(C)c(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID4247898,Cc1ccc(N2C(=O)CSC2c2c(F)cccc2Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID3237006,CCOC(=O)N1CCC(NC(=O)c2ccc(NC(=O)C3CCCO3)cc2)CC1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID655617,CC(=O)c1cccc(S(=O)(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)c1
+0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,,,CID665254,COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccn3)c3ccccc3)cc2c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2914400,CC1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2414873,O=C(Nc1nc2ccccc2s1)c1ccc(Cl)s1
+,,,,,,,,,0.0,,0.0,,,,,,CID3042319,CC(C)Cc1ccc(C(C)C(=O)Nc2nccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4187953,CCOC(=O)CN(Cc1sccc1C)C(=O)Nc1cccc(OC)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID860156,COc1cccc(-c2nnn(CC(C)=O)n2)c1
+,,,,,,,,,,,,,,,,0.0,CID1252435,CCOC(=O)N1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID2928886,CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)NC1CCCCC1
+,,,,0.0,,,,,,,,,,,,,CID646012,O=C1NC(c2ccccc2)C(C(=O)c2cccs2)C(O)(C(F)(F)F)N1
+,,,0.0,0.0,,,,0.0,,0.0,,,,0.0,,,CID2998645,Cc1cccc(S(=O)(=O)NCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2)c1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID3000204,CC1CN(C(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)CC(C)O1
+,,0.0,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,CID2981050,CCOC(=O)C1=C(CSc2nncn2C)NC(=O)NC1c1cc(OCC)ccc1OCC
+,,,,,,,,,0.0,,,,,,,,CID961986,CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1
+,,,0.0,0.0,,,0.0,,,,0.0,0.0,,,,,CID1246150,NC(=O)c1ccsc1NC(=O)COc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2765221,Cc1ccc(Sc2nc(-c3ccccc3)ccc2C#N)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID5307488,CCN(CC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1=O
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID1248485,Cc1nn(CC(=O)Nc2ccc3c(c2)nc(CN2CCCCC2)n3C)c(=O)c2ccccc12
+0.0,,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,,CID890823,C=CCn1c(N)c(-c2nc3ccccc3n2C)sc1=S
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID658197,COc1ccc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2292259,COc1ccc2nc(NCCCO)[nH]c2c1
+,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID3237097,CCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1C(=O)OC
+,,,,,,,,,,,,,,0.0,,,CID889832,O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccs1
+,,0.0,,,,,,,,,,,,,,,CID3240628,CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID1265021,COc1ccc(C)cc1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID2160236,COc1ccc(-n2nc3c(c2NC(=O)Cc2cccc(C)c2)CS(=O)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID974668,COc1ccc(C)cc1-n1c(C)cc(C=O)c1C
+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID1248220,O=C(N1CCOCC1)N(CCN1CCOCC1)Cc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID809220,CC(=O)Nc1ccc(C(=O)NNC(=O)c2cccs2)cc1
+0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID1226242,CCn1cc(Br)c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3850468,CC1(C)CN(c2ccccc2)N(Cc2ccc(F)cc2)C1=O
+,,,,,,,,,0.0,,,,,,,,CID3241517,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)N1CC=C(c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2344677,O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)NC1CC1
+,,,,,,,,,0.0,,,,0.0,,,,CID827908,COc1ccccc1C(=O)Nc1cc2cc(Cl)ccc2oc1=O
+,,,,,,,,,,,,0.0,,,,,CID648831,Cc1nn2c(N)csc2nc1=O
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2058779,CCCCNC(=O)c1nc2ncc(Br)cn2n1
+,,,0.0,,,,,,,,,0.0,,,,,CID3244256,COC(=O)CNC(=O)c1nn(-c2cccc(OC)c2)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID1242527,COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C
+,,,,,,,0.0,,,,,,,,,,CID5310757,Cc1cccc(N/C=C2\C(=O)Nc3ccccc32)n1
+,,,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,CID1239358,CC(=O)c1cccc(NS(=O)(=O)N(C)C)c1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID5065909,O=C(Nc1ccccc1Cl)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)CS2=O
+,,,,,,,,,0.0,,,,,,,,CID735450,O=C(CSCc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2
+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID3237048,O=C(Cn1cnc2c(cnn2-c2ccc(F)cc2)c1=O)OCc1ccccc1
+,0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,CID2256009,CCCCOc1nc(N)nc(-c2ccccc2)n1
+,,,,0.0,,,,,,,0.0,,,,,,CID3238428,CCSc1nnc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2OC)SCC3)s1
+,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,CID2970466,NC(=O)c1c(NC(=O)C2CCCO2)sc2c1CCC2
+0.0,,,,,,,,0.0,,,0.0,,0.0,,0.0,0.0,CID1244334,Cc1cc(C(=O)NCc2ccccc2Br)no1
+,,,,,0.0,,,,,,,,0.0,,,,CID2928135,CNC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID5310489,CCSc1nnc(NC(=O)CSc2nc(CC)nc3c2c(=O)n(C)c(=O)n3C)s1
+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID644458,COc1ccc(OC)c(NC(=O)c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)c1
+,,,,,,,,0.0,,,,,,,,,CID1477461,Cn1nc(-c2ccccc2)c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c1Cl
+,,,0.0,0.0,,0.0,0.0,,,,,,,,,,CID3246780,CC(NC(=O)Cc1cccs1)c1ccncc1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID659648,COc1ccc2c(c1)n([O-])c1c([n+]2=O)CCC1
+,,,,,0.0,,,,,,,,,,,,CID3635550,Cc1ccc(NC(=O)O/N=C2\CCCCC2c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID1432071,CCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,0.0,,CID2535249,CCOc1ncccc1C(=O)OCc1cc(=O)oc2c(C)c(C)ccc12
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID769135,NC(=O)c1ccccc1NS(=O)(=O)c1cccs1
+,,,,0.0,,,,,,,,,,,,0.0,CID2982769,COc1ccccc1N(CC(O)CN(c1ccccc1)S(C)(=O)=O)S(=O)(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID1840721,Cc1onc(-c2ccccc2)c1-c1n[nH]c(=S)n1-c1ccc(C(=O)O)cc1
+,,,,,,0.0,,,0.0,,,,,,,0.0,CID3239907,COCCCNC(=O)c1oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2c1C
+,0.0,,,,0.0,,,0.0,,,,,,,0.0,,CID663630,CCCc1nnc(NC(=O)CCC(=O)N2CCCCCC2)s1
+,,,,0.0,,,,,0.0,,,,,,,,CID3235943,COC(=O)CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4cccs4)c32)c2ccccc21
+,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,0.0,,,,,CID5307689,Cc1ccc(CNC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1472449,Clc1ccc(-c2cnc(Oc3ccccc3)nc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5310143,Cn1c(=O)cc(N2CCc3ccccc32)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID658852,Cn1c(C(O)c2ccc(Cl)cc2)nc(Cl)c1Cl
+,0.0,,,,,0.0,,,0.0,,,0.0,,,,,CID1093424,COc1ccc(OC)c(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID2150680,CCc1nnc(NC(=O)CSc2nnc(Cc3cccn3C)n2CCOC)s1
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,,CID2618589,CCn1c(SCC(=O)c2[nH]c(C)c(C(C)=O)c2C)nnc1-c1ccncc1
+,,,,,,,0.0,,,,,0.0,,,,,CID3243039,COc1cccc(NC(=O)CN2CCN(c3ccccc3F)CC2)c1
+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID1177318,N#Cc1nc(COc2ccc(Br)cc2)oc1N1CCCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1383754,O=C(CSc1nnnn1C1CCCC1)Nc1ccccc1N1CCOCC1
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID787914,O/N=C1\CCCCc2sccc21
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+,0.0,0.0,0.0,,,,,,,,0.0,,0.0,0.0,,,CID845433,Cc1nc2ccccc2c2nc(NC(=O)Cc3ccccc3)nn12
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+,0.0,,,,,,,,,,,,,,,0.0,CID5389349,COC1=CC=C/C(=C2\N=C(NCc3ccco3)c3ccccc3N2)C1=O
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+,0.0,,0.0,,,,,,,,,,,,,,CID657468,Cc1cc(C)n(-c2nc3c(c(=O)[nH]c(=O)n3C)n2C)n1
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+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2959585,CCCCc1nnc(NC(=O)C(C)Sc2nc(=O)cc(C)[nH]2)s1
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+,,,,,0.0,,0.0,,,,,,,,0.0,,CID781698,CN(C)c1ccc(/N=C/c2ccco2)cc1
+,,,,,,0.0,,,,,,,,,,,CID3244059,O=C1CC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl
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+,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID2159445,COC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1C
+0.0,,,,,,,,,,,,0.0,,,,,CID651686,CC(=O)C1=C(O)C(=O)N(Cc2cccnc2)C1c1ccc(Cl)cc1Cl
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+,,,,,,,,,,,0.0,,,,,,CID2307096,COc1ccccc1NCCC#N
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+0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,,CID666433,COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1
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+0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,,0.0,CID797776,CCOc1ccc2[nH]c(C)c(CN3CCOCC3)c(=O)c2c1
+,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID907288,COc1cc2[nH]c(NC(=O)c3ccccc3)nc(=O)c2cc1OC
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+,,,,,0.0,,,,,0.0,0.0,,,,,,CID783490,c1ccc(Oc2cccc(CN3CCCCC3)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3538824,O=C(COC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)NCC1CCCO1
+0.0,0.0,,,0.0,,,,,0.0,,0.0,,,,,,CID1262812,NC(=O)CSc1nnnn1-c1ccc(OC(F)(F)F)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2537230,Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(F)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID880426,Cc1ccc(C(=O)NC(=S)Nc2cccc3nsnc23)cc1
+0.0,,,0.0,0.0,,,,,,,,0.0,,,,,CID3241885,COc1ccc2nc(NC(=O)CCc3nc(-c4ccccc4F)no3)sc2c1
+,0.0,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID3243612,COc1cccc(-c2cc(C(=O)NCCc3ccccc3)no2)c1
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+,,,,,,,,,0.0,,,,,,,,CID1086918,COCC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1
+,,,0.0,,,0.0,,,0.0,,,,,0.0,0.0,,CID2932606,CCC(Oc1ccccc1)C(=O)Nc1nnc(C)s1
+,,,,,,,,,,0.0,,,,,,,CID1485628,N#Cc1c(-c2ccc(Cl)cc2)ccn2nc(CCC(=O)O)nc12
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+,,,,,0.0,,,,,,,,,,,,CID2896853,CCCN(C(=S)Nc1ccccc1)C1CCS(=O)(=O)C1
+,,,,,,,,,,0.0,,,,,0.0,,CID3239715,N#CC1=C(N)N(c2ccc(Br)cc2)C2=C(C(=O)CCC2)C1c1cccnc1
+,,,,,,,,,,,0.0,,,,,,CID1483745,COc1ccc(-n2c(-c3ccccc3)cc3c2CCCC3=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID2955378,O=C(CC1NC2CCCCC2NC1=O)Nc1cccc(C(F)(F)F)c1
+,,,,,0.0,,,,,,,,,,,,CID739475,Cc1ccsc1/C=N/NC(=O)c1c[nH]c2ccccc12
+,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2964401,COc1ccc(Cl)cc1NC(=O)C1CC(=O)N(c2ccc(F)cc2)C1
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+,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,0.0,CID657913,CSc1nc(C)c(C(=O)Nc2ccccc2)c(C)c1C#N
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+,,,,,,,,,,,0.0,,,,,,CID720699,Cc1[nH]nc2oc(=O)c(CCO)c(C)c12
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+,,,0.0,,,,,,,,,,,,,,CID649911,CCNc1nc(NC(C)C)nc(N(C#N)CC)n1
+,0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,,CID649535,Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccco3)cc2c1
+,,,,,,,0.0,,,,,,,,,0.0,CID661025,CC(C)c1cc(NCCN2CCOCC2)n2c(nc3ccccc32)c1C#N
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+,,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,CID2225645,Cc1occc1C(=O)Nc1ccccc1C(=O)O
+,0.0,,,,,,,,,,,,0.0,,,,CID645301,O=C(Oc1ccc2ccccc2c1Cl)N1CCCC1
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+,,,,,,,,,,,,,,0.0,,,CID12004684,O=C(N/N=C/C=C\c1ccccc1[N+](=O)[O-])c1cc(-c2ccccc2)nc2ccccc12
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID1587622,O=S(=O)(N/C(=N/C1CCCC1)C(F)(F)F)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID3242745,Cc1ccc(S(=O)(=O)NC(CC(=O)N2CCC3(CC2)OCCO3)c2ccco2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2329132,CS(=O)(=O)c1ccc(Cl)c(C(=O)O)c1
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+,,,,,,,,0.0,,,,,,,,0.0,CID3000098,COC(=O)C(NC=O)C(O)(Cc1ccccc1)C(F)(F)F
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID2302648,CCN(CC)C(=O)CSCC(=O)Nc1ccccc1
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+,0.0,,,,0.0,,,,,,,0.0,,0.0,,,CID665120,CC1(C)Cc2nc(-c3ccccc3)n3cnnc3c2CO1
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+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID2224078,COc1ccc(Cl)cc1N1CCN(CCNC(=O)Nc2ccccc2C)CC1
+,,,0.0,,,0.0,,,,,,,,,,,CID648581,Oc1ccc(CNc2ccc(F)cc2)c2cccnc12
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+,,,,,,,,,,,,,,,0.0,,CID2149958,O=C(Cc1cc(=O)[nH]c(=O)[nH]1)N1CCN(C(=O)c2ccco2)CC1
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+,0.0,,,0.0,,,,,,,,,,,,,CID656073,Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cnccn1
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+,0.0,,,,,,,,,,,,,,,0.0,CID2998912,CC(NC(=O)COc1ccccc1)C(c1ccccc1)N1CCN(C)CC1
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+,,,,,,,,,0.0,,,,,,,0.0,CID5389688,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5345280,CN(C)c1ccc(C2/C(=C(/O)c3ccccc3)C(=O)C(=O)N2Cc2ccccc2)cc1
+,,,,,,,0.0,,,,,0.0,,,,,CID880010,CNC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O
+,0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,CID3237810,COCCN1Cc2cccc(C(=O)Nc3cc(C)cc(C)c3)c2C1=O
+,,,,,,,,,0.0,,,,,,,,CID2845756,CCCCOc1ccc(CN2CCN(CC)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2848890,COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Cl)cc3)CC21
+,,,,,0.0,,,,,,,,,,,,CID4660780,CC(=O)NC1C(c2nc3ccccc3s2)=C(c2ccccc2)C(=O)N1c1ccc(C)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1130885,CCC(=O)Nc1sc(C(=O)Nc2ccccc2F)c(C)c1C(=O)OC
+,,,,,0.0,,,,,,,,,,,,CID965835,COc1cccc(OC)c1C(=O)Nc1ccc2c3c(cccc13)CC2
+,,,,,,,,,,,,,,0.0,,,CID1474335,COc1ccnc(-n2cccc2/C=N/O)c1C#N
+,,,,,,,,0.0,,,0.0,,,,,,CID3210785,Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2cccc(C)c2C)no1
+,,,,,0.0,,,,,,0.0,,,,,,CID1851458,CCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)nc2n1
+,0.0,,,,,0.0,,,0.0,,,,,0.0,,,CID658689,CCc1nc(N2CCCC2)c(C#N)c2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID4684569,N#Cc1c(NC(=O)CCCl)sc2c1CCCCC2
+,,,,0.0,,,,0.0,,,0.0,,,,,,CID649848,O=C(Nc1nnc(C2CCCC2)s1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
+,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,,,CID791043,COCc1cc(C)nc(Nc2cc(C)ccc2C)c1C#N
+,,,,,,,,,0.0,,,,,,,,CID3180459,Cc1ccc(-c2nnn(CC(=O)N(Cc3ccc(F)cc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1
+,,,,,,,,,0.0,,,,,,,,CID777511,Cc1ccc(Nc2nc3c(s2)CCC3)c(C)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID936563,Cc1cccc(OCC(=O)N(C)CCc2ccccn2)c1
+,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,CID664336,Cc1cc(=O)oc(C)c1C(=O)Nc1cnc2ccccc2c1
+,,,,,,,,0.0,,,0.0,,,,,,CID894408,CCCn1nnc(NC(=O)c2ccc(Br)o2)n1
+,,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,CID2330337,c1ccc(CNc2ncnc3c2oc2ccccc23)nc1
+,0.0,,,,0.0,,,,,0.0,,0.0,,,,,CID590957,Cc1cccc(-c2nnc(N)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID1480167,O=C(O/N=C1\CCS(=O)(=O)c2sccc21)c1ccc(F)cc1
+,,,,,,,0.0,,,0.0,0.0,,,,,,CID2408429,Cc1ccc(-n2nc(-c3cccnc3)cc2C(=O)N2CCOCC2)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID11957221,O=C1c2ccccc2C(Nc2cccnc2)N1Cc1ccccc1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID666224,COc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2CC2CC(c3ccccc3)=NO2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1186707,COC(=O)c1c(C)[nH]c(C(=O)CSc2nnnn2-c2ccccc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID1632089,O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID790434,Clc1nc(NCc2ccco2)nc(N2CCCCC2)n1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID662551,CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID11958563,O=C(NCc1cccc(C(F)(F)F)c1)C1CC(c2ccccc2[N+](=O)[O-])=NO1
+0.0,,,,,,,,,,,,,,,0.0,,CID3245830,O=C(CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)NCc1ccco1
+,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2410419,O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,0.0,,,,,,CID2000517,Cc1cccc(-c2noc(CCCOc3ccc(Cl)cc3Cl)n2)c1
+0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,,CID665577,Cc1ccc2[nH]cc(C(=O)CN3CCN(c4ccccn4)CC3)c2c1
+0.0,,,,,0.0,,,,,0.0,,0.0,,0.0,,,CID1397279,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCC(Cc3ccccc3)CC1)n2Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID779355,Cn1c(=O)c([N+](=O)[O-])c(Oc2ccccc2)c2ccccc21
+,0.0,,,,,,,,,,,,,,0.0,0.0,CID649178,Cc1ccc2c(c1)N(CC(=O)c1cccc(Cl)c1)C(=O)C(C)O2
+,0.0,0.0,0.0,,,,,0.0,,,,,,,,0.0,CID3241503,Cc1ccc2cc(CCNC(=O)c3ccco3)c(=O)[nH]c2c1
+,,,,,,,0.0,,,,,,,,,,CID3747387,CCC(=O)N1CC23C=CC(CC2CC12CCCCC2)O3
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,0.0,CID651608,COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
+,,,,,,,,,,,,0.0,,,,,CID1375907,CCOC(=O)Cn1cnc2c(C#N)c3n(c2c1=O)CCCCC3
+,,,,,0.0,,,,,,0.0,,,,,,CID644932,Cc1ccccc1C(C(=O)NCc1ccco1)N(CC1CCCO1)C(=O)Cn1nnc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1279154,Cc1ccc(Oc2cc([N+](=O)[O-])cc3c2C(=O)Nc2ccccc2O3)cc1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID3287495,CCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1015406,CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccco2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID4668094,O=C(CSc1nccn1-c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,,,,,,,CID1352277,COc1ccc(/C=N/N2C(=O)CSC2=S)cc1
+,,,,,,,,,,,,,,0.0,,,CID1903751,CCCOc1ccc(CCc2n[nH]c(=S)n2Cc2ccccc2)cc1
+,,,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,CID663193,C=CCn1c(SCC(=O)Nc2cc(NC(C)=O)ccc2OC)nnc1-c1ccccn1
+0.0,,,0.0,,0.0,,,,,,,0.0,,,,,CID577561,Cc1c(NC(=O)c2ccccc2N)cccc1C(=O)O
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,0.0,CID3235738,O=C(NCc1ccccc1)c1cnc2n(c1=O)CCS2
+,,,,,,,,,,,0.0,,,,,,CID2870205,O=C1c2ccccc2NC(c2ccccc2)N1/N=C/c1ccccc1
+,,,0.0,,0.0,,,,,,,,,,,,CID579820,O=C(c1ccccc1F)N1CCc2ccccc21
+,0.0,,0.0,,,,,0.0,0.0,,,,,,,,CID2147275,C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)NC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID726336,COC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1
+0.0,,,,0.0,,,,,0.0,0.0,,0.0,0.0,0.0,,,CID1288984,Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1
+,,,,,,,0.0,,,,0.0,,0.0,,0.0,,CID663277,N#Cc1c(N)nc2c(c1-c1ccncc1)CCCCC2
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID665563,O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1
+,,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,CID5309373,COc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2c(C)nn(C)c2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID1375745,Clc1ccccc1-c1ccc(CN2CCN(c3ccccc3)CC2)o1
+,,,0.0,0.0,,,,,0.0,0.0,,,,,,,CID900603,Cc1ccc(Nc2nc(N)nc(CSc3nccn3C)n2)cc1
+,,,,,,,,,,,,,,,0.0,,CID2998174,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CNC(=O)c1ccc(OCC)cc1
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID3245676,CCOC(=O)C1CCN(C(=O)CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2831236,O=C1C2C3C=CC(C3)C2C(=O)N1c1cccnc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1452222,CCn1nnnc1SCC(=O)c1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2400310,CN(CCC#N)C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl
+,0.0,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID2982429,CCOc1ccc(N2C(=O)CC(N3CCC(NC(=O)Nc4ccccc4)CC3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3280283,CCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C
+,0.0,,,,,,,,,,,,,,,,CID5389902,Cc1nc2c(C)cccn2c1/C(O)=C1\C(=O)C(=O)N(CCN2CCOCC2)C1c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID771473,CCN1C(=O)N(c2cccc3ccccc23)C(C)=CC1(C)C
+,,,,,,0.0,,0.0,,0.0,,,,0.0,,0.0,CID655619,CN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
+0.0,,,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,CID1071898,CCn1c(SCC(=O)Nc2cc(C)on2)nnc1-c1cccs1
+0.0,,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,CID2999669,O=C(CSc1nc2ccccc2n1-c1ccccc1)NCC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID1505972,Cc1nc([N+](=O)[O-])c(C(=O)OCc2ccccc2F)n1C
+,,,,,,,,0.0,,,,,,,,,CID5322831,COCCCNC(=O)c1cn(CC(C)C)c(=O)c2c1c1ccccc1n2C
+,,,,0.0,0.0,,,,,,,,,0.0,,0.0,CID3243200,CCOc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID5389520,O=C1NC(=O)N(c2cccc(Cl)c2)C(=O)/C1=C\NCCCN1CCOCC1
+,,,,0.0,,,,,0.0,,,,,,,,CID2945978,CC1CCc2nc(NC(=O)Cc3cccs3)sc2C1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,0.0,0.0,CID665996,O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1
+,,,,,,,0.0,,0.0,,,,,0.0,0.0,,CID2145509,Cc1ccccc1OCCn1c(=O)oc2ccccc21
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3244603,COc1ccccc1-c1cc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3)n2)no1
+,,,,0.0,0.0,0.0,,,,,,,,,,,CID651865,O=S(=O)(NCc1ccco1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,0.0,,,,,,,,0.0,,,,,,,CID645325,Cc1cc(NC(=O)CN2CCC(O)(c3cccc(F)c3)CC2)no1
+,,,,,,,,,,,,,,0.0,,,CID5397226,Cc1cc(C)n(N/C=C2\C=C([N+](=O)[O-])C=CC2=O)c(=O)c1
+,,,,,,,,,,,,,,0.0,,,CID1475423,COc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1
+,0.0,,,0.0,,0.0,,,,,,,,0.0,,,CID3243128,Nc1cc(OC(=O)c2cccs2)nn1S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,0.0,,CID1094120,CCOC(=O)C1CCN(C(=O)Cc2c(F)cccc2Cl)CC1
+,,,,,,,,,,,,,0.0,,,,CID625873,COC(=O)C1=C(C)N(C)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID708419,CCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID2235358,CCCCC(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID1222403,Cc1nn(Cc2cccc(C(=O)NCC(C)C)c2)c(C)c1Br
+,,,0.0,0.0,,,,,,,,,,,,,CID644679,Cn1c(SCc2ccccn2)nnc1-c1ccncc1
+,,,,,,,,,0.0,,0.0,,,,,,CID3206357,O=C(NCc1ccco1)C(c1ccccc1)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21
+,,,0.0,,,,,0.0,,,,,,,,,CID565831,CC1(C)CC(NC(=O)C(F)(F)F)CC(C)(C)N1OC(=O)c1ccco1
+,,,,,,,,,0.0,,,,,,,0.0,CID3241014,CCn1cc(CNC(=O)C2C3CCC(C3)C2C(=O)O)cn1
+,,,,,,,,,,,,,,0.0,,,CID1117125,COc1ccc(N(CC(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
+,,,,0.0,,,0.0,,0.0,,,,0.0,,,0.0,CID655173,O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)OCO2
+0.0,,,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,CID626410,COc1ccc(OC)c(C(O)c2nc3ccccc3n2C(C)C)c1
+,,,,,,,,,,,,,,0.0,,,CID2546081,Cc1ccc2c(CC(=O)N3CCN(c4ccccc4)CC3)coc2c1
+,,,0.0,,,,,,,,,,,,,,CID655428,O=C(N1CCOCC1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID1339511,COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C
+,,0.0,,,,,,0.0,,0.0,,,,,0.0,,CID2299870,COCCCNCCOc1cc(C(C)C)ccc1C
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID705995,O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1
+,,0.0,,,,,,,0.0,0.0,,,0.0,,,,CID703721,COC(=O)c1cn(C(=O)c2ccco2)c2ccccc12
+0.0,,,,0.0,,,,,,,0.0,0.0,,,,0.0,CID2972635,COc1ccc(S(=O)(=O)N2CCCC(C(=O)NCc3ccco3)C2)cc1Cl
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID2963030,CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1
+,,,,,,,,0.0,,,0.0,,,,,,CID715294,COc1ccccc1Nc1nc(=O)c(C)n[nH]1
+,,,,,0.0,,,,,,,,,,,,CID9551302,CCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
+,,0.0,,,,,,,,,,,,,,,CID2999013,Cc1cc(=O)n2c(n1)OC(CO)C2
+0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,,,CID2084585,C=CCn1c(C)cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c1C
+,,,,0.0,0.0,0.0,,,,0.0,,,,,,0.0,CID644410,COc1ccc(OCC(=O)Nc2cccc3cccnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID1347723,Cc1ccc(S(=O)(=O)/N=C(/c2ccc(Cl)cc2)N2CCOCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID9551327,COc1ccc(NC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1Cl
+,,,,,,,,0.0,,,0.0,,,,,,CID794280,O=[N+]([O-])C1=C(Nc2cccc3ccccc23)CS(=O)(=O)C1
+,0.0,,0.0,,,,0.0,0.0,,0.0,,,,,0.0,0.0,CID807012,CCCc1nnc(NC(=O)CCN2C(=O)c3ccccc3C2=O)s1
+,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,CID3000168,Cc1cc(C)n2cc(CSc3ncccc3C(=O)O)nc2n1
+0.0,,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID651696,Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2C)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID2669378,O=C(Oc1ccc2c(c1)OCO2)c1ccc(F)cc1Cl
+,,,0.0,,0.0,,,0.0,,,,,,,0.0,,CID3241499,COCCNC(=O)CSc1nc2ccccc2c(=O)n1CC1CCCO1
+,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID926663,c1ccc(-c2noc(-c3ccc4ccccc4c3)n2)nc1
+0.0,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID3238315,O=C(NCc1ccc(Cl)cc1)c1noc2c1CCCC2
+,,,,,,,,,,,0.0,,0.0,,,,CID4210200,Clc1cccc(Cl)c1CO/N=C/c1c(-c2ccccc2)nc2n1CCS2
+,,,,,,,0.0,,,0.0,,,,,,,CID655765,CC(C)CCNC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1
+,,,,,,,,,,,,,0.0,0.0,,,CID686224,O=C(Nc1ccccc1)c1[nH]ncc1[N+](=O)[O-]
+0.0,,0.0,0.0,,,,,,0.0,,,,,,,,CID2234459,CCOc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1
+,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,,CID645212,C=CCN(C(=O)CNS(=O)(=O)c1ccccc1)C(C(=O)NCCOC)c1ccncc1
+,,,,,,,,,,0.0,,,,0.0,,,CID1244675,O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1NCCN1CCOCC1
+,,0.0,,,,,,,,,,,,,,,CID3236234,O=C(O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID3238083,O=C(C1CCC1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
+0.0,,,,0.0,,,0.0,,,,0.0,,,,,,CID3244086,COc1cccc(NC(=O)CSc2nccn2-c2cccc(OC)c2)c1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID989980,Cc1ccc(-c2nnc3sc(-c4ccc5c(c4)OCCO5)nn23)cc1
+,,,,0.0,,,,,,,,,,,0.0,,CID3244995,COc1cccc(-n2c(SCC(=O)NCCC3=CCCCC3)nc3nnc(C)c-3c2N)c1
+,,,,,,,,,,,0.0,0.0,,,,,CID658861,CCCCn1c(NC(C)=O)c(C#N)c2nc3ccccc3nc21
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID573142,COc1ccc(-c2nnn(Cc3ccccc3F)n2)cc1
+,,,,,,,,,,0.0,,,,,0.0,,CID3237768,Cc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)o1
+,,,,,,,,,,,,,,,0.0,,CID657531,COCc1[nH]nc2c1C(c1cccc(OC)c1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,0.0,,,CID1158970,CCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1
+0.0,0.0,,,,,,,,,,0.0,0.0,,,,,CID3237341,O=C(Nc1ccccc1)N(Cc1cccnc1)Cc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID1388911,COc1ccc(-n2ncc3c(N4CCN(Cc5ccccc5)CC4)ncnc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID705487,CCOC(=O)c1cnc2ccccc2c1Nc1cc(C(=O)O)ccc1C
+,,,,,0.0,,0.0,,,,,,,,,,CID5307679,O=C(NC(Cc1ccccc1)C(=O)O)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID2252291,CC(C)CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]
+,,0.0,,,,,,,,,,,,,,,CID2079037,O=C(COC(=O)CCC(=O)c1ccc2c(c1)OCCO2)NCc1ccc2c(c1)OCO2
+0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,,0.0,CID654647,Cc1nc(NC(=O)C2CC2)sc1C(=O)N1CCCCC1
+,,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID646771,O=C(O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12
+0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,CID661873,Cc1cc2c(c(=O)n1CC1CCCO1)C(c1ccc3c(c1)OCO3)C(C#N)=C(N)O2
+,,,,,,,,,,,,,,0.0,,,CID733613,Cc1ccc(NC(=O)CSCC(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2843521,CCOC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)C(=O)OCC
+,,,,,0.0,,,,,,,,,,,,CID2270947,CCCOc1cccc(C(=O)Nc2ccc(Cl)cn2)c1
+,,,,0.0,,,,,0.0,0.0,,0.0,,,,,CID652689,COCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)c(OC)c1
+,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID658585,O=c1c2[nH]c3ccccc3c2ncn1C1CCCCC1
+,,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID4632,COc1ccc(C(=O)c2ccccc2)c(O)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID2967752,CC1CCCCN1CCCn1c(=S)[nH]c2ccccc2c1=O
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID2416067,O=C(OCC(=O)N1CCc2ccccc21)c1ccc[n+]([O-])c1
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+,,,,,,,,,,,,,0.0,0.0,,,CID901283,O=[N+]([O-])c1ccc(Sc2ccccc2Cl)nc1
+,0.0,,,,,0.0,,,,,,,,,,,CID3238515,CCOC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C
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+0.0,,,,,,0.0,,,,,,,,,,,CID3245269,CCOC(=O)C1=C(C)OC(N)=C(C(=O)OC)C12C(=O)Nc1ccc(Br)cc12
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+,,0.0,0.0,,,,,,,,,,,,,,CID5310292,CC(NC(=O)Nc1ccccc1)C(c1cccs1)N1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID5729077,O=C(Nc1cccc(C(=O)O)c1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccc(Br)cc1
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+,,,,,,0.0,,,,,,,,,,0.0,CID5309266,Cc1nc2ccc(S(=O)(=O)NC(C(=O)NCc3ccco3)C(C)C)cc2s1
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+,,,,,,,0.0,,,0.0,,,,0.0,,,CID3244393,CN1CC(=O)N=C1NC(=O)Nc1ccc2c(c1)N(C)C(=O)CS2
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+,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,CID2914750,CC(CC(=O)NC1CCSC1=O)c1ccccc1
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+,0.0,,,,0.0,,,,,,,,,,,,CID5295102,CC1=CC2=c3cc(C)ccc3=NC(c3sccc3C)N2N1
+0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,,CID886358,CCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O
+0.0,,0.0,,,,,,,,,0.0,,,,0.0,0.0,CID651767,Cc1nc2ccc(N)cc2c(=O)n1Cc1ccc(Cl)cc1
+,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,,CID798239,Cc1cc2ncn(C(=O)c3c(-c4ccccc4)noc3C)c2cc1C
+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID2673450,O=C(CC1CCCC1)Nc1ccc2c(c1)CCC2
+,,,,,,,,,,,0.0,,,,,,CID2764216,Cc1noc(C)c1Cc1ccc(O)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID761821,CC(C)c1cc(C(=O)N/N=C/c2ccco2)n[nH]1
+,,,,,,,,,,,,,0.0,,,,CID76613,COc1ccc(C(=O)CCC(=O)O)cc1
+0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,,,,CID666734,O=c1c2ccccc2nc(-c2ccccc2)n1CCCN1CCOCC1
+,,,,0.0,,0.0,,,,,,,,,,,CID664365,CC(C)C(NC(=O)NCc1cccs1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID744874,Cc1nc2cc(C(=O)O)ccc2n1C1CCCCC1
+,,0.0,,,0.0,,,,0.0,,,,,0.0,,,CID663284,COc1cccc(CNc2nc3ccccc3n2CCN2CCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID1088599,COc1ccc(N(C)C(=O)c2ccc3c(c2)nnn3C)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID3400326,CCCC(=O)Nc1nc(=O)c2c([nH]1)CCCC2
+,,,,0.0,,,,,,,,0.0,,,,,CID2847225,CCOC(=O)CCCNC(=O)CCNC(=O)c1ccc(OC)cc1
+,,,,,,,,0.0,,,,,,,,,CID2449963,CCOC(=O)Cc1csc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1
+0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,CID2248084,Cc1cc(Cl)cc(C)c1OCCCCN1CCOCC1
+,,,,,,0.0,0.0,0.0,,,,,,,,,CID665733,O=c1cc(CN2CCC3(CC2)OCCO3)c2c(ccc3ccccc32)o1
+,,,,,,0.0,,0.0,,,0.0,,,,0.0,0.0,CID1249887,CC(=O)c1cccc(N(CC(=O)Nc2cccnc2)S(C)(=O)=O)c1
+,,,0.0,,,,,,,,,,,,,,CID3245467,O=C(CCc1nc(-c2ccccc2F)no1)NCCN1CCc2ccccc2C1
+,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,,,CID653104,Cc1ccc(-c2nnn(CCC(=O)N3CCCCC3C)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID766970,N#CC1(c2ccc(NC(=O)c3ccccc3)cc2)CCCC1
+,,0.0,,,,,,,,,,,,,,,CID665103,COC(=O)c1[nH]c2ccccc2c1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1
+,,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,CID2119303,Cc1ccc(CNC(=O)CCc2nc(=O)c3ccccc3[nH]2)cc1
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID725694,CN(Cc1ccccc1)C(=O)c1cc2ccccc2o1
+,,,,,0.0,,,,,,,,,,,,CID1483052,Cc1oc(=O)c(NC(=O)c2cccc(Cl)c2)cc1C(=O)c1ccccc1
+,0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,0.0,0.0,,,,,CID777949,CCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1
+,,,,,,,,0.0,,,,,,,,,CID2452690,COc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1Br
+,,,,,,0.0,,,,,,0.0,,0.0,,,CID653551,C=C(C)Cn1c(SCC)nc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID1619109,O=C(CCCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1cccc2ccccc12
+,,,,,,,,0.0,,,,,,,,,CID2622478,COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID1128709,O=[N+]([O-])c1cc(-c2cnc3ccccc3n2)ccc1Oc1ccc(Br)cc1
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID667322,Cc1ccnc(SCCn2c(N3CCC(C)CC3)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,,,,,,,,,,,0.0,,,,CID2163066,CCOCC(=O)N1CCC(Cc2ccccc2)CC1
+,,0.0,,,,,,0.0,,,,,,,,0.0,CID935150,COc1ccc2cc(C(=O)NC3CCCCC3)c(=O)oc2c1
+,,,,,,,,,0.0,,,0.0,,,,,CID854839,O=C(NCc1ccccn1)Nc1ccc(Cl)c(Cl)c1
+,0.0,,,,,,,,,,,,,,,,CID1901288,O=C1CC(c2ccco2)CC(=O)C1=CNCCN1CCNCC1
+,,,,,0.0,,,,,,,,,,,,CID1367771,Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1ccccc1)C(C)C
+,,,,0.0,0.0,0.0,,0.0,,,,,,,,,CID667338,COc1cc2c(cc1OC)-c1cc(NC3CCCC3)nc(=O)n1CC2
+0.0,,,,,,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,CID871965,CCSc1nnc(NC(=O)c2ccco2)s1
+0.0,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,0.0,CID3236687,O=C(CSc1nccn1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,0.0,,0.0,,,,,,CID883133,CCc1nc(N)c(C#N)c(-c2cccc3ccccc23)c1C
+0.0,,0.0,,,,,,,,,,,,,,,CID3337960,Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2CCCc2ccccc2)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID5774988,CCOC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2
+,,,,0.0,,,,,,0.0,,,,,,,CID3236060,COc1cc(CO)cc(-c2cc(CO)cc(OC)c2OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID890682,COc1ccc(CNC(=O)CN(C)S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1895635,Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2ccccc2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2768549,CO/N=C/CC(=O)c1ccc(-c2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2832441,Cc1ccc(N2C(=O)C3C4CC(=O)C(c5ccccc54)C3C2=O)cc1
+,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID646490,CCCc1nnc(NC(=O)c2c(O)n3c4c(cccc4c2=O)CCC3)s1
+,0.0,,0.0,,,,,0.0,,0.0,,,,,0.0,0.0,CID660444,CCCCOC(=O)c1ccc(NC(=O)CSc2nncn2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID4208316,CCCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O
+,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID646305,CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+0.0,0.0,,0.0,,,0.0,0.0,,0.0,,,,,,,,CID2063368,CC(NCc1cccnc1)=C1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,,,0.0,,,,CID933045,O=C(Cc1coc2ccc3ccccc3c12)N1CCc2ccccc21
+,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID663306,CCOc1ccc(C(=O)N(Cc2ccc(N(C)C)cc2)C2CCS(=O)(=O)C2)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID3241041,Cc1cc(C(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)no1
+0.0,,0.0,,,,,,0.0,0.0,,0.0,,,,,,CID644397,CCOc1ccc(-c2nnn(CC(=O)c3cc(OC)ccc3OC)n2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID2999110,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12
+,,,,0.0,,,0.0,0.0,,,,0.0,,,,,CID3242268,CCOC(=O)c1c(C)c(C(=O)NCc2cccnc2)c(C)n1C
+,,,,,0.0,,,,,,,,,,,,CID2094945,Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)s2)c(C)c1
+,,,,,,,,,,,,,,0.0,,,CID16192701,NC(=O)N/N=C/C=C/c1ccccc1
+,,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,0.0,CID646062,COc1ccc(NC(=O)c2c(C)oc3c2CCCC3)cc1
+0.0,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID659423,CC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2O)c1C
+,,,,,,,,,,,,,,0.0,,,CID16187114,O=C(NCCc1ccccc1)C(=O)NCC1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID2937022,COC(=O)Nc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3cccc4c3OCCO4)C2)cc1
+0.0,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,CID2621052,CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)Nc1nccs1
+,,,,,,,,,,,,,,,0.0,,CID5308158,COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccccn3)c(C)o2)cc1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID646365,COc1ccc(C(=O)COC(=O)CCn2nnc(-c3cccc(O)c3OC)n2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1299164,CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)o2)n1
+,,,,,,,,,,,,,,0.0,,,CID2109219,COc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID2274212,Cc1cc(C)c(N2C(=O)NC(=O)/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)c(C)c1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID3237574,CN1C(=O)c2ccccc2C(C(=O)NCCCN2CCCC2)C1c1c[nH]c2ccccc12
+,0.0,,,0.0,,,,,,,,0.0,,,,0.0,CID2999279,CCn1c2ccccc2c2nnc(SCC(=O)NCc3cccs3)nc21
+,,,,,0.0,,,,,0.0,,,,,,,CID1093879,O=C(NCc1ccc2c(c1)OCO2)c1cc(-c2ccccc2Cl)on1
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID3236233,CCOC(=O)C(NC(=O)CC)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F
+0.0,0.0,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,0.0,,CID3000118,CCOC(=O)C1(Nc2nccs2)Sc2ccccc2NC1=O
+,,,,,,,,,,0.0,,,,,,,CID3470882,CCOC(=O)C1=C(C)OC(N)=C(C#N)C1c1cc(F)ccc1F
+,,,,,,,,,,,,,,0.0,,,CID2438636,COc1ccc(NC(=O)CN(C)CC(=O)Nc2ccccc2SC)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID665825,CC1CN(C2CCCCC2)c2nc3c(c(=O)[nH]c(=O)n3C)n2C1
+,,,,,,,,,,,,,0.0,,,,CID1475428,COc1ccc(CNS(=O)(=O)NCc2ccc(C)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2793098,CC(Oc1ccc(C(=O)NCCc2ccccc2)cc1)C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1223803,Cc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID741721,Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
+,,,,,,,,,,,,,,0.0,,,CID4455754,CCNc1nc(OC)nc(N2CCC(Cc3ccccc3)CC2)n1
+,,,,0.0,,,,,,,,,,,,,CID3236151,CC(C)CC(NC(=O)C1CCC(C)CC1)C(=O)Nc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID4623229,CCOC(=O)c1c(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3)C2)sc2c1CCCC2
+,,,,,,,,,,,0.0,,,,,,CID2963764,O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cccc2ncccc12
+,,,,,,,,,,,,,,,0.0,,CID659104,O=c1cc(O)n(-c2ccccc2F)c(=S)[nH]1
+,,,,,,,,,0.0,,,,,,,,CID645419,CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)Cc3nnnn3CCOC)cc2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID645881,C=Cn1nc(C)c2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID9551127,O=C(CCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCC1CCCO1
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID934679,O=C(CSc1ccccn1)Nc1ccc(Br)cn1
+,,,,,,,,,,,,,,0.0,,,CID2768184,O/N=C/c1ccn(-c2ccc(Br)cc2)c1
+,,,,,,,,,0.0,,,,,0.0,,,CID2186738,CCCCNS(=O)(=O)c1ccc(NS(=O)(=O)c2c(C)cc(C)cc2C)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID1251070,O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccc(N2CCOCC2)c(Cl)c1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID886493,CCOC(=O)c1c(C)n(C)c2ccc(O)c(CN3CCC(C)CC3)c12
+,,,,,,,,,,0.0,,,,,,,CID9550943,O=C1C=CC=C/C1=C1/NNC(=S)N1Cc1ccco1
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID750328,O=S(=O)(c1cccc2cccnc12)N1CCOCC1
+,0.0,,,,,,,,,,,,,,,,CID5308535,CC1(C)CC(=O)N(CC(=O)N2CCN(c3ncccn3)CC2)c2ccccc2S1(=O)=O
+,0.0,,,,,,,,,,,,,,0.0,,CID3236767,COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C1CC1
+,,0.0,0.0,0.0,,,,,,,,,,0.0,,,CID715542,Cc1cn2c(-c3ccc(Cl)cc3)nnc2s1
+,,,,,,,,,,,,,,0.0,,,CID1483126,O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1320559,Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,0.0,,,,CID3396518,NNC(=O)C12CC3CC(C1)CC(n1ncnn1)(C3)C2
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID2998908,CCCn1c(=O)c2ccccc2n2c(SCC(=O)c3cc(C)n(CC4CCCO4)c3C)nnc12
+,0.0,,,,0.0,0.0,,0.0,,,,,,0.0,,0.0,CID2905319,CCOC(=O)C1CCCN(C(=O)c2ccccc2Oc2ccccc2)C1
+,0.0,,,,,,,,,,,0.0,,,,,CID886683,COCc1cc(C)nc(NC2CCCCC2)c1C#N
+,,0.0,,,,,,,,,,,,,0.0,,CID2998715,CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)C1CCS(=O)(=O)C1
+0.0,,,0.0,,,,,,,,,,,0.0,,,CID3238697,COC(=O)C1=C(N)Oc2cc(C)n(Cc3cccnc3)c(=O)c2C1c1ccc(OC)c(OC)c1
+0.0,,,0.0,,,0.0,,,0.0,,,,,,,,CID698664,Cc1sc2nc(SCC(=O)N(C)C)[nH]c(=O)c2c1C
+,0.0,,,,,,,0.0,,,0.0,0.0,,,,,CID653226,O=C(Nc1ccccn1)N1CCOCC1
+,,,,,,,0.0,,,,0.0,,,,,,CID658746,O=S1(=O)CC(N2CCOCC2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2416284,O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc[n+]([O-])c1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2095442,Cc1c(-n2c(SCC(=O)O)nnc2-c2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
+0.0,0.0,0.0,,0.0,,,0.0,,0.0,0.0,,0.0,0.0,,,,CID1244217,Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID951505,S=C1NCN(C2CCCCC2)CN1Cc1ccccc1
+,0.0,,,,,,,0.0,,0.0,,0.0,,,,,CID1508831,CCOC(=O)c1cnc2nc(C)[nH]n2c1=O
+,,,,,,,,,0.0,,,,,,,,CID780553,NC(=O)c1cc2cc(Cl)ccc2oc1=O
+,,,,,,,,0.0,,0.0,,,,,,,CID1471545,CO/N=C(/CS(=O)(=O)c1ccc(Br)cc1)c1ccc(OC)cc1
+0.0,,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,0.0,CID303223,COc1ccc(NC(=O)Nc2ccccc2C)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID4062447,CNC(=O)C1CCC(=O)N1Cc1ccccc1Cl
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID657700,O=C(CCC(=O)Nc1ccc(Oc2ccccc2)cc1)NCCO
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID3240373,Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cn3)n2)nc1
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID3242038,COC(=O)c1cc2sccc2n1CC(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2892968,O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc3ccccc3c2)C1
+,,,,,,,,,,,,,,0.0,,,CID2839652,CCOc1ccc(N2C(=O)CC(N(C)Cc3ccccc3)C2=O)cc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID2541167,COc1ccc(C(C)=O)cc1COC(=O)Cc1n[nH]c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID3240378,Cn1c(=O)c2c(nc(Sc3n[nH]c(N)n3)n2Cc2ccccc2Cl)n(C)c1=O
+,0.0,,,,,,,,,,,,,,,,CID649116,O=C(O)CCSc1nnnn1-c1ccccc1
+,,,0.0,,,,,,,,0.0,,,,,,CID708785,Cc1ccnc(NC(=O)Nc2ccc(F)cc2)c1
+0.0,0.0,,0.0,,,0.0,,,,,,0.0,,,,,CID644519,c1ccc(CCn2nnnc2C(c2cccs2)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID1505948,Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCOCC3)ccc21
+,,,,0.0,,,,,,0.0,0.0,0.0,,,0.0,0.0,CID654642,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1c(C)nn(-c2ccccc2)c1Cl
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,,CID721879,Cc1ccc(-c2nc3cc(N)ccc3o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID5860971,Cc1c(NC(=O)C(C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,,,,,,,,,,,,CID1361452,CSc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C(C)=O)c2)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID878007,Cc1cc(/C=N/O)c(C)n1-c1ccc(Br)cc1
+,,,,,,,,,,,,,0.0,,,,CID875453,NC(=O)CSCc1cccc(Br)c1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID3239981,CCC1SC2=NCN(c3ccccc3)CN2C1=O
+,,,,,0.0,,,,,0.0,,,,,,,CID2453397,CCOc1ccc2nc(SCC(=O)NC(=O)NCc3ccco3)sc2c1
+,,,,,,,,,,,0.0,,,,,,CID9550430,CCOC(=O)C1CCCN(c2c(NCCN(CC)c3ccccc3)c(=O)c2=O)C1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID2970581,CNC(=O)c1cc2c(s1)CCCCCC2
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID664230,COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)[nH]c(=O)n2C)cc1
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+,0.0,,,,,,,,,0.0,,,,,,,CID747014,CC(=O)c1ccc(-n2nncc2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1457194,CCCn1c(SCC(=O)Nc2sc(C)c(C)c2C#N)nnc1C(C)C
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,0.0,0.0,CID655535,Cc1nc(NC(=O)CSc2nc3cccnc3n2Cc2ccccc2)sc1C
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+,,0.0,0.0,,,,,,,,,,,,0.0,,CID588745,Nc1nonc1-c1nc2ccccc2n1Cc1ccc(F)cc1Cl
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID2292924,COc1ccccc1NC(=O)CSc1nnnn1C
+,0.0,,,,,,,,,0.0,,,,,,,CID644938,CCCn1c(O)c(-c2ccccc2)c(=O)c2ccccc21
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+,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID593408,CCOC(=O)CC(C#N)c1c[nH]c2ccccc12
+,,,,0.0,0.0,,,,,,,,,,,,CID3244064,O=C(CSc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2)NCC1CCCO1
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+0.0,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID705278,Cc1ccc(C)n1-n1cnc2sc(-c3ccccc3)cc2c1=O
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+,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,,,,CID650409,c1cc2c(cc1Cn1cnnn1)OCO2
+,0.0,,,,0.0,,,,,,0.0,0.0,,,,,CID658266,CN1C(=O)N(c2cccc3ccccc23)C(n2cncn2)C1(C)C
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+,0.0,,,,,0.0,,,0.0,,,,,,,,CID3236770,Cc1cccc(CCNS(=O)(=O)c2cnc[nH]2)c1
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+,,0.0,,,,0.0,,,,,,,,,,,CID5308441,CCOC(=O)C1CCN(C(=O)Cn2cc3c(n2)CCC(C)C3)CC1
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+,,,,,,,,,0.0,,,,,,,,CID2563544,Cc1noc(C)c1CSc1nnc(-c2ccccc2)n1N
+,,,,0.0,,,,,,,,0.0,,,,0.0,CID3235623,CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCN3CCCCCC3)cc2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID612732,FC(F)(F)c1cc(-c2cccs2)n[nH]1
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+,,,0.0,,0.0,,0.0,,,,,0.0,,,,,CID3237355,COc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2c(C)noc2C)cc1
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+,,,,,,,,,0.0,,,,,,,,CID564519,O=C(O)C1CC=CCC1C(=O)Nc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2233708,CN(CC(=O)Nc1nc2ccccc2s1)S(=O)(=O)c1ccc(Br)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID662644,COc1ccc(CNc2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)cc1
+,,,,0.0,,,,,0.0,,,,,,,,CID801753,CC(C)Sc1nc(O)c(Cc2ccccc2)c(=O)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID792903,CCCc1noc2c1/C(=N/O)CCC2
+,,,,,,,,,,,,,,,,0.0,CID692882,COc1ccc(-c2nnc(N)s2)cc1
+,,,,0.0,0.0,0.0,,,0.0,,,,,,,,CID653049,COc1ccc(S(=O)(=O)N2CCSC2c2ccc(N)cc2)cc1
+,0.0,,,,,,,0.0,,,0.0,,,0.0,,,CID658618,Cc1cccc(N2CC(=O)N(c3cccc(C)c3)CC2=O)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID646503,Cc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1
+,0.0,,,,,,0.0,,,,,,,,,,CID3239444,COc1ccc(C(CC(=O)O)NC(=O)COc2ccccc2)cc1OC
+,0.0,,,,,,0.0,,,,,,,,,,CID3245650,Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCN(c4ccccn4)CC3)c(=O)c2c1C
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+,0.0,,,0.0,,,,,,0.0,,,,,,,CID2992148,CN(Cc1ccccc1)c1nc2c(c(=O)n(C)c(=O)n2C)n1CCSc1ncccn1
+,,,,,,,,,,,,0.0,,,,,CID3355848,COCCNc1cc(C)nc2c(-c3ccccc3OC)c(C)nn12
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,,0.0,CID649522,COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)N(C)C)cc1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID2595147,CC(=O)Nc1ccccc1OCc1nnc(-c2cccs2)o1
+0.0,,0.0,0.0,,,,,,,,,,,,,0.0,CID2947772,O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCCO1
+,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,CID653677,CC(OC(=O)c1cc2sccc2n1C)C(=O)NCc1cccs1
+0.0,,0.0,,,,,,0.0,0.0,0.0,0.0,,,,,0.0,CID1364199,O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2
+0.0,,,,,,,,,,,,,,0.0,0.0,,CID3236097,O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F
+,0.0,,0.0,,,,0.0,,,,,,,,0.0,,CID656355,CCc1nnc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)s1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID5309303,Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)n1
+,,,,,,,,,,,,,0.0,,,,CID818580,CN(C)N(C)C(=O)C(O)(c1ccccc1)c1ccccc1
+,,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,,,CID665700,COC(=O)CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID16188898,CCOC(=O)C1(CCOc2ccccc2)CCN(CCCn2cccn2)CC1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID2197995,COc1ccc(S(=O)(=O)NCCSCc2ccco2)cc1C
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID645062,CCOC(=O)Cn1nnnc1C(CC)N(Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID2251811,CN1C(=O)/C(=C\c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)SC1=S
+,,0.0,0.0,,,,0.0,,,,,,0.0,,,,CID3242981,Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)C)CSC3)c(C)c1
+,,,,,,,,,,,,,0.0,,,,CID5023518,O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc(F)cc2)cs1
+,,,,,0.0,,,,,,0.0,,,,,,CID2238869,Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)cc1C
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID663864,N#Cc1nc(-c2ccco2)oc1N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID2944643,CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID663995,COc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1
+0.0,,,,,,,,,,,,,,0.0,,,CID659770,COc1ccc(C(=O)N2CCCC(c3ccccc3)C2)cc1
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID2879414,CC1=C(C(=O)Nc2ccccc2)C(c2ccc(C)o2)N2C(=O)CSC2=N1
+0.0,,,,,,,,,,,,,,,,0.0,CID3242923,CCOC(=O)CC(NC(=O)c1ccco1)c1ccccc1Cl
+,,,,,0.0,0.0,,,,,0.0,,,,0.0,,CID2103131,Nc1cc(C2CCCC2)nn1-c1ccccc1
+0.0,,,,0.0,,,,,,,,,,,,,CID645753,Cc1nnc(NC(=O)C2CCCN(S(=O)(=O)c3ccccc3C(F)(F)F)C2)s1
+0.0,,,,,,,,,,,,,,,,0.0,CID3240314,COc1cc2c(cc1OC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O
+0.0,0.0,,,,,,,,,,,,,,,,CID5308526,CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1C
+,,0.0,0.0,,,,,,,,,,,0.0,,,CID3241988,CCOC(=O)C(C)Sc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,0.0,,CID2082426,Cc1csc(NC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)n1
+,,,,,,,0.0,,,,,,,,,0.0,CID3243057,O=c1[nH]ncc2c3ccccc3n(Cc3ccccc3)c12
+,,,,,,,,,,,,,,0.0,,,CID1884508,Cc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3c(C)nn(-c4ccccc4)c32)c1C
+,,,,,,,,,,,0.0,,0.0,,,,CID842311,CCn1cc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c(C)n1
+,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,,CID3236657,Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cccs2)cc1
+,,0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,0.0,CID651729,CCc1nnc(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)s1
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID660069,Cc1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)CC(=O)N2)cc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID1430494,COc1ccc(NC(=S)N2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(OC)c1
+,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,,CID3237436,O=C(CCn1c(=O)sc2ccccc21)NCCCn1ccnc1
+,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID660691,C=CC/N=C(\NC#N)SCC(=O)c1cccc(OC)c1
+,0.0,,,,,,,,,,,0.0,0.0,,0.0,,CID755897,Nc1nc2n(c1C(=O)c1ccccc1)CCC2
+0.0,,0.0,0.0,,,,,0.0,0.0,,,,,,,,CID657547,O=C(Cc1c(O)[nH]c2ccccc2c1=O)NC1CCCCCC1
+,,,,,,,,,0.0,,,,0.0,,,,CID1307031,C=CCn1c(N)cc(=O)nc1SCC(=O)Nc1cccc2ccccc12
+,0.0,,,,,,,,,,,,,,,,CID2972732,CC1Cn2c(nnc2C(=O)c2ccccc2)S1
+,,,,,,,,,,,,,,,,0.0,CID5390083,CC1=CC(=O)/C(=C2/C=C(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)NN2)C=C1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID2973996,Cc1cc(C)c(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1CN1CCCC1
+0.0,0.0,,,,,0.0,,,,,,,,0.0,,,CID649717,Cn1c(CSc2ncccn2)nnc1SCC(=O)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID1557889,CC(/C=C1\SC(=S)N(NC(=O)c2cccc(O)c2)C1=O)=C\c1ccccc1
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID700083,C=CCn1c(SCC(=C)C)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,,,,,,0.0,,0.0,0.0,,,,,,CID2865191,Cc1nn(C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(C)c1Br
+,,,,,,,,,0.0,0.0,,,,,,,CID2147955,Cc1c(NC(=O)CSc2cccc3cccnc23)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID1016479,Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2100759,O=C1CN(C(=O)c2cc(Br)c(Br)s2)c2ccccc2N1
+0.0,0.0,,,,,,,,,,,,,,,,CID664142,COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2Cc2cccnc2)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID658857,COc1ccc(C(=O)NCC(=O)n2nc(C)cc2C)cc1OC
+0.0,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID2224507,CS(=O)(=O)N(CC(=O)NCc1ccccn1)Cc1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID1234270,CCOC(=O)c1nn(-c2ccccc2F)c(-c2ccccc2)c1C(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID941482,COc1ccccc1-c1nc(C#N)c(N2CCC(C(N)=O)CC2)o1
+,,,,,0.0,,,,,,,,,0.0,,,CID1175901,Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID757610,CCN(C(=O)CSc1nc2nc(C)cc(C)n2n1)c1ccccc1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308035,COc1ccc(Br)cc1C1CC(=O)N2CN(Cc3ccccc3)CSC2=C1C#N
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,CID655046,Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(NCc2ccco2)n1
+,,,,0.0,,,,,,,,,,,,,CID3237801,CCOC(=O)N1CCC(n2c(=S)[nH]c3cc(OCC)c(OCC)cc3c2=O)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID768129,CC(NCc1ccncc1)=C1C(=O)c2ccccc2C1=O
+,,,,,,,,,,0.0,,,0.0,,,,CID2884279,S=C1NCCOCCOCCOCCN1
+,,,,,,,,,,,,,0.0,,,,CID2474315,COc1ccc(-c2csc(NC(=O)c3cccs3)c2C(=O)O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2319470,N#CCCn1cc(/C=N/NC(N)=S)c(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2952643,CNC(=S)N1N=C(c2ccc(OC)cc2)CC1c1ccc(Cl)cc1Cl
+0.0,,0.0,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,CID2148473,Cc1ccc(C(=O)Nc2cc(=O)n(C)c(=O)n2C)cc1C
+,0.0,0.0,,,,,,,,,,,,,,,CID5742460,C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(CC)cc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID2960513,O=C(CC1NC(=O)NC1=O)Nc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID6098768,Cc1cccc(COCC(Cc2ccccc2)N2CCN(C(=O)c3cccc(Cl)c3)CCC2=O)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID4113281,COc1cccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc4c(c3)OCCO4)c2=O)c1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID653305,CCCCn1c(SCc2nnc(-c3ccccc3)o2)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,0.0,,0.0,CID790407,O=C(Nc1cccnc1)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1017323,CCOc1cc(CNc2ccc(N(C)C)cc2)cc(Br)c1OCC(=O)NC(C)(C)C
+0.0,,,,,,,,0.0,,,,,,,,,CID803865,Cc1cccc(NC(=O)COc2ccc(Br)cc2C)n1
+,,,,,,,,,,0.0,,,,,,,CID2228399,CCCCS(=O)(=O)Nc1ccc2ncn(C)c(=O)c2c1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID1984334,Cc1ccc(-c2nnc(SCC#CCOC(=O)c3cccs3)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID650199,COc1ccc2[nH]c(=O)c(CN(C3CCCCC3)C(c3nnnn3Cc3ccco3)C(C)C)cc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2204351,CCC(=O)Oc1ccc(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)cc1
+0.0,,,,,0.0,,,,,,,,,,,,CID2998341,O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCN(c2ccccn2)CC1
+,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,,CID645177,COc1ccc(-c2nnc(SCC#N)o2)cc1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID2964562,CC(NC(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2416792,CC(C)N(C(=O)CO/N=C/c1cccc([N+](=O)[O-])c1)C(C)C
+0.0,0.0,0.0,,,,,,,,,,,,,0.0,0.0,CID647124,O=C1CCCc2c1cc(C(=O)Nc1ccc(Cl)cn1)c(=O)n2-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1016352,CCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(SC)cc2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID974414,Cc1ccc(Cn2ccc(NC(=O)c3nc4ncccn4n3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID4365451,O=C(CNCC1CCCCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,0.0,,,,,,,,,,,CID3235676,CC1CCN(c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)CC1
+,,,,,,,,,,,,0.0,,,,,CID665511,Cc1cc(CC(C)C)n(-c2nc3ccccc3c(=O)n2OCC(=O)N(C)C)n1
+,,,,,,,,,,,0.0,,,,,,CID6077070,COc1ccc(C2CC(=O)N=C3SC(N)=c4c(N)c(C#N)c(N)nc4=C32)cc1OC
+,,,0.0,,,,,,,,,,,,,,CID5308113,O=C(CC1Oc2ccccc2NC1=O)NCc1ccccc1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID3244435,COc1ccc(OC)c(-c2cc(C(=O)NCc3cccs3)no2)c1
+,,,,,,,,,,,,,,0.0,,,CID2933352,Cc1csc(NC(=O)c2ccc(C)o2)n1
+0.0,,,,0.0,,0.0,0.0,,,,0.0,0.0,,,,,CID3237424,Cc1ccc(-c2noc(CCC(=O)NCc3ccc4c(c3)OCO4)n2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID650120,CC(NC(=O)CCC(=O)NC(C)C1COc2ccccc2O1)C1COc2ccccc2O1
+,,,,,,,,0.0,,,,,,,,,CID1147953,O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccnc2)CC1
+,,,,,,,0.0,0.0,,0.0,,,0.0,,,,CID649175,COc1ccc(OCc2ccc(C(=O)O)cc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID5742521,C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2c(C)cccc2C)s1
+,,,,,,,,,,,,,0.0,,,,CID759757,O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID1285031,O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2c(c1)OCO2
+,0.0,0.0,,,0.0,,,0.0,,,,0.0,,,,,CID653762,COC(=O)Cn1nnc(-c2cccc(OC)c2)n1
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID658144,C(=N/c1nc2ccccc2n1CCN1CCCCC1)\c1ccc2c(c1)OCO2
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID2999146,COc1ccc2c(CC(=O)N(C)CC3COc4ccccc4O3)coc2c1
+,,,0.0,,,,0.0,,,,,,,,,,CID653532,CCOC(=O)CSc1nc2cc(C)cc(C)c2cc1C#N
+,,,,,,,,,,,0.0,,,0.0,,,CID1222996,O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2899007,CCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1
+0.0,,0.0,,0.0,,,,,,,,0.0,,0.0,,0.0,CID2210473,O=C(COc1ccccc1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1
+0.0,,0.0,,,0.0,0.0,,0.0,,,,0.0,,,,,CID789861,COc1cccc(-c2nc(Cc3ccc(OC)c(OC)c3)no2)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2890675,COC(=O)C1CN(S(=O)(=O)c2ccccc2)CCN1S(=O)(=O)c1ccccc1
+0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,,,CID649393,O=C(NCCCN1CCOCC1)c1cc2ccccc2oc1=O
+,0.0,0.0,,0.0,,,0.0,,0.0,0.0,0.0,,,,,,CID2582454,O=C(Nc1ccc2c(c1)OCO2)c1nn(-c2ccccc2)c(=O)c2ccccc12
+,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,CID3000133,O=C(COC(=O)Cn1cnc2ccccc21)NCCC1=CCCCC1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID4110364,CC1Cc2ccccc2N1C(=O)c1cnc2n(c1=O)CCS2
+,,,,,,,,,,,0.0,,,,,,CID685277,COc1ccccc1N1CCN(C(=O)/C=C/c2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID3241674,CCCS(=O)(=O)N1CCC(C(=O)NCCCN(CC)c2cccc(C)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1192056,COc1ccc(/C=C/C(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,,CID658606,Cc1cc(C)nc(NC2=NCC(=O)N2c2ccc(Cl)cc2)n1
+,,,,,,,,,,,,,,,0.0,,CID2858122,CCOC(=O)N1CCN(C2CC(=O)N(c3ccc(F)cc3)C2=O)CC1
+,,,,,,,,,0.0,,,0.0,,,,,CID2115012,CCCn1c(N)c(C(=O)COC(=O)c2c(C)noc2C)c(=O)n(C)c1=O
+0.0,,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,CID654767,COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)Cc3nnnn3Cc3ccccc3)cc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2957231,COCCCNC(=S)Nc1ccc(C)cc1[N+](=O)[O-]
+0.0,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,CID2104690,CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(-c2cc3ccccc3o2)cs1
+,,,,,,,,,,0.0,,,,,,,CID3228559,O=C(CC1Sc2ccccc2NC1=O)OC(C(=O)NCCc1ccccc1)c1cccnc1
+,,,0.0,,,,,,,,,0.0,,,,,CID656040,Cc1onc(-c2ccncc2)c1C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID2335043,COc1ccc(C(=O)OCC(=O)NCc2ccccc2)c(OC)c1OC
+,,,,,,0.0,,,,,,,,0.0,,,CID2973007,CC1Cn2c(COc3ccccc3)nnc2S1
+,,,,,0.0,,,,0.0,,,,0.0,,,,CID2177614,Cc1ccccc1CSCCNS(C)(=O)=O
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID329038,CCOC(=O)c1nc2sc3c(c2c(=O)[nH]1)CCCC3
+,,,,,,,,,,,0.0,,,,,,CID2343305,COc1ccc(CCNC(=O)CSc2ncn[nH]2)cc1
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID4129976,O=C(NCc1ccc2c(c1)OCO2)C1CC(=O)N(CCc2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID846022,CCc1c(C)[nH]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1=O
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID921199,Cc1ccc(-n2c(C)c3c(C)nnc(C)c3c2C)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID660657,COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3CCCc3ccccc3)CC2)cc1
+0.0,0.0,,,,,,,,,,,,,,,,CID649560,O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccno1)c1ccccc1
+0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,0.0,,,0.0,0.0,CID735089,O=C(Nc1nc2c(s1)CCCC2)Oc1ccccc1
+,,,,,,0.0,,,,,,,0.0,,,,CID662844,CCC(C)NC(=O)c1c(N)n(/N=C/c2cccnc2)c2nc3ccccc3nc12
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+,,,,,,,0.0,,,,,,0.0,,,,CID3244063,CC1CCCCN1CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
+,,,0.0,,,,,,,,,,,,,,CID3236732,CC(C(=O)N1CCC2(CC1)OCCO2)C1Sc2ccccc2NC1=O
+,,,,,,,,,,,,,0.0,,,,CID1256019,CCSc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-]
+,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,0.0,,CID826934,CC(C)(C)c1cc(C(=O)NCc2ccccc2)ccn1
+,,,,,,,,,,,,,0.0,,,,CID892525,Cn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1
+,,,,,,,,0.0,,,,,,,,0.0,CID1744408,O=C(O)CCCC(=O)Nc1c(F)c(F)c(F)c(F)c1F
+0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,0.0,CID3239358,O=C(Nn1cnc2ccccc2c1=O)c1ccccc1Cl
+0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,,CID3242042,O=C(CC1Nc2ccccc2NC1=O)NCCCN1CCCCCC1
+,,0.0,,,,,,0.0,,,,,,0.0,0.0,,CID846865,COC(=O)CN(c1ccc(OC)c(OC)c1)S(C)(=O)=O
+0.0,,,0.0,0.0,,,0.0,,,,0.0,,,,,0.0,CID1754370,Cc1ccc(C(=O)NCCCCNC(=O)c2ccc(C)o2)o1
+,,,,,,,,,,,,,0.0,,,,CID1511531,CCOC(=O)c1c(N)nn(C(=O)c2ccccc2F)c1-c1ccc(OC)cc1
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID3607474,COc1ccc(NC(=O)CC2Sc3ncnn3C2=O)cc1
+0.0,,,,,,,,,,,,,,,,0.0,CID3236303,O=c1cc(N2CCN(c3ccccc3)CC2)[nH]c(=O)n1-c1ccccc1Cl
+,0.0,,,,,,,,,,,,,,0.0,,CID3245176,CCOC(=O)N1CCC(NC(=O)CCCN2C(=O)CSc3ncccc32)CC1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,,CID3245937,COc1cccc(C2Nc3ccccc3C(=O)N2O)c1O
+0.0,,,,,,,,,,,,,,,,,CID5308575,CCOc1ccc(OCC)c(NC(=O)CC2Oc3ccccc3NC2=O)c1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID645905,O=S(=O)(c1cccs1)n1cccn1
+0.0,,0.0,,,,,,,0.0,,,0.0,,,,,CID2215707,COCCn1c(C)cc(C(=O)CSc2nc(C)nc3sc4c(c23)CCC4)c1C
+,,,,,,,,,,,0.0,,,,,,CID2446311,CC1CCC(NC(=O)COc2ccccc2C(N)=O)CC1
+,,,,0.0,,,,,,0.0,,,,,,,CID648056,CC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccc1)S(C)(=O)=O
+,,,,,,,0.0,,,,,,,,0.0,0.0,CID2918848,CC(NC(=O)C1CCCCC1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,0.0,,,,,,,CID2415195,Cc1ccccc1OCCSc1nnc(-c2ccncc2)n1C
+,,,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,CID652854,Cc1ccc(S(=O)(=O)Nc2ccc3nc(N)sc3c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1368209,COc1ccc2c(C)cc(N3CCN(c4ccc(F)cc4)CC3)nc2c1
+,,,,,,,,0.0,,0.0,,,,,,,CID991898,Cc1ccc(OCCn2c(Br)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID1265688,COc1ccc(S(=O)(=O)N(CC(N)=O)C2CCCCC2)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1214467,CC(C)NC(=O)NS(=O)(=O)c1cnccc1Sc1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID744440,O=C(CSC(=S)N1CCSCC1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID2909815,COc1ccc([N+](=O)[O-])cc1N(CC(O)Cn1nnc2ccccc21)S(=O)(=O)c1ccc(C)cc1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,CID2096951,COC(=O)c1cc(COC(=O)c2cccnc2SC)oc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID6890619,O=C1/C(=C/Nc2cccc(O)c2)c2ccccc2C(=O)N1c1ccc2c(c1)OCO2
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID874720,COC(=O)c1sc2ccccc2c1N
+0.0,,,,0.0,,0.0,,,,,,,,0.0,,,CID653867,O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cccs1
+,,,,,,,,,,,,0.0,,,,,CID5771362,O=N/C=C1/C=CC(C(=O)NCCCNC2CCCCC2)=CN1
+,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,,CID3240762,CCOC(=O)C1CCN(C(=O)CCc2nc3ccccc3[nH]2)CC1
+,0.0,,,,,,,,,,,,,,,,CID651101,O=C(Cn1nnc(-c2ccccc2F)n1)Nc1ccc2c(c1)OCO2
+0.0,,,,,,,,,,,,0.0,,0.0,0.0,0.0,CID2968193,CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)Cc2ccccc2)CC1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID2999356,O=C1CC(N2CCN(c3ccccc3F)CC2)C(=O)N1c1ccc2c(c1)OCCO2
+,,,0.0,,,,,,0.0,,,,,,,,CID658114,N#CCSc1nc2c(cc1C#N)CCCCCC2
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID648426,Cn1c(=O)c2c(ncn2CC(=O)N(Cc2ccccc2)c2ccccn2)n(C)c1=O
+,,,,,,,,,,0.0,,,,,,,CID888610,CCCS(=O)(=O)N1CCN(c2ccccn2)CC1
+0.0,0.0,,,,,,,,,,,0.0,0.0,,0.0,,CID663661,c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1
+0.0,,0.0,,,,,,0.0,,,,,,,,,CID3000068,CC(=O)Nc1sc(C)c(C)c1C(=O)OC1CCOC1=O
+,0.0,,,,,,,,0.0,,,,,,,,CID936003,Cn1nnc(NC(=O)COc2ccc(C3CCCCC3)cc2)n1
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID2221377,C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O
+,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,,CID95022,O=C(c1ccccc1)C1C(=O)c2ccccc2C1=O
+,,,,,0.0,,,,,,,,,,,,CID1354487,CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2)c2ccc(C)cc2)cc1
+0.0,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3236884,CCOC(=O)c1sc2ncnc(N3CCN(c4ccc(OC)cc4)CC3)c2c1C
+,,,,,,,,,,,,,0.0,,,,CID1726470,COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID727559,O=Cc1ccc(-c2nc3ccccc3s2)o1
+,,,,,0.0,,,,,,,,,,,,CID2771416,O=[N+]([O-])c1ccc(N2CCNCC2)cc1Sc1cccc2cccnc12
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2195204,CC(=O)Oc1ccccc1/C=C1\CCOC1=O
+,0.0,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,,CID1298712,NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc3ccccc3s2)CC1
+,,0.0,,,,0.0,,,,,,,,,,,CID2998984,CCOC(=O)c1cc(OCC(=O)NC(C)C(C)C)cc(C(=O)OCC)c1
+,,,,,,,,,,,,,,0.0,,,CID2766134,COCCNC(=O)c1cc2c3ccccc3n(C)c2s1
+,,,,,,,,,,,0.0,,,,,0.0,CID661823,O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccco1
+,,,,,,,,,,,0.0,,0.0,,,0.0,CID2355657,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID893479,NC(=S)Nn1c(CCC(=O)O)ccc1-c1ccccc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID565802,CC1(C)CC(=O)CC(C)(C)N1OC(=O)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID2248043,O=C(O)CCCNS(=O)(=O)c1ccc(F)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID660512,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCN(C(=O)Nc4ccccc4)CC3)nc21
+,,,,,,,,,,,,,0.0,,,,CID2436158,COc1ccc(OCCC(=O)OCc2c(C)noc2C)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,,0.0,CID657787,C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl
+0.0,,,,,,,,,,,,,,,,,CID5308194,CCOc1ccc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID1190235,CCN(CC)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12
+,,,,,,,,,,,,,0.0,,,,CID3238702,Cc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1
+0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,,,CID848719,c1ccc(Cc2nnc3sc(-c4cccs4)nn23)cc1
+,,,,,,0.0,,,,,,,,,,,CID644840,CCOC(=O)C(C)Sc1nnc2n1C(C)(C)Cc1ccccc1-2
+,,,,,,,,,,,,,,0.0,,,CID2765461,CCOC(=O)CN(c1ccccn1)S(=O)(=O)c1ccc(OC)cc1
+,,,,0.0,,,,,,,,,,,,,CID962339,C=C(C)CSCc1nc2ccccc2[nH]1
+,,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,,CID666482,Cn1c(CCN2CCCCC2)nc2cc(NC(=O)Nc3ccccc3)ccc21
+0.0,0.0,,,0.0,,,,,,,,0.0,,,,,CID4143164,CN(C(=O)c1ccco1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1
+,,,,,,,,,,,,,,0.0,,,CID9549721,CCOC(=O)C1=NN(c2cccc(Cl)c2)C2=NC(C)=C(C(=O)OC)C(c3cccs3)N12
+,,,,,0.0,,,,,,,,,,,,CID719950,COc1cc(OC)cc(C(=O)Nc2ccc(OC)c3ccccc23)c1
+,,,,,,,,,,0.0,,,0.0,,,,CID2678416,COc1ccc2c(CC(=O)N3CCc4ccccc43)coc2c1
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID517879,N#CCCN(CCC#N)C(=O)c1ccc(Cl)cc1
+0.0,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,CID665291,CCc1nc(SCC(=O)N2CCc3ccccc32)c2oc3ccccc3c2n1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,,CID2960168,O=C(NCCCNC(=O)NC1CCCCC1)NC1CCCCC1
+,,,,,,,,,0.0,,,,,,,,CID3005521,S=c1[nH]nc(-c2cnccn2)n1-c1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID659298,CC(O)Cn1ccccc1=N
+,,0.0,,,,,,0.0,,,,0.0,,0.0,,,CID1080740,O=C(Oc1cccc2c(OC(=O)N3CCOCC3)cccc12)N1CCOCC1
+,,,0.0,,,,0.0,0.0,0.0,0.0,,,,,,,CID782395,COc1ccccc1/C=C/CN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID800015,CC(=O)NS(=O)(=O)c1ccc(/N=N/N2CCOCC2)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID660930,N#CC1=C(N)SC(C(=O)C23CC4CC(CC(C4)C2)C3)C1c1ccncc1
+,,,,,0.0,,,,,0.0,,,,,,,CID6278152,Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1
+,,,,,,,,,,,,,0.0,0.0,,,CID974665,COc1ccc(OC)c(-n2c(C)cc(C=O)c2C)c1
+,,,,,,,,,,,,,0.0,,,,CID1067678,CC1(C)CC(=O)c2c(n(S(=O)(=O)c3ccccc3)c3ccc(NS(=O)(=O)c4ccccc4)cc23)C1
+,,,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,CID1256544,COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(-c3ccccc3)no2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2421832,CN(Cc1ccccc1)C(=O)COC(=O)Cn1cnc2ccccc21
+,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,,CID663417,O=C(NCC1CCC(C(=O)O)CC1)c1cccnc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID652697,COc1ccc(C(=O)NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(OC)c1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID3238421,COCCNC(=O)c1csc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID2186540,O=C(O)/C(=C\c1ccco1)NC(=O)c1cccc2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID3713241,O=C(CSc1cn(CCNC(=O)c2cccs2)c2ccccc12)NCc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID798730,O=C(CN1C(=O)CCC1=O)c1ccc(-c2ccccc2)cc1
+0.0,,,,,,,0.0,,,,,,,,,,CID3236939,CCCCc1nc2c(=O)[nH]c3ccccc3c2o1
+,,,,,,,,,,,0.0,,,,,,CID1112346,N#Cc1c(NC(=O)CN2C(=O)c3ccccc3C2=O)oc(-c2ccccc2)c1-c1ccccc1
+,,0.0,,,,0.0,,,,,,,,,,,CID5310093,Cc1c(C(=O)NCc2cccnc2)sc2nc(-c3ccccc3)cn12
+,,,,,0.0,,,,,,0.0,,,,,,CID2974405,COc1ccc(N2CC(C(=O)Nc3cc(C)on3)CC2=O)cc1
+0.0,,,,,,,,,,,,0.0,,,,,CID2377356,COc1cc(CCC(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID2258488,CCn1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID852961,Cc1sc2nc(-c3ccccn3)[nH]c(=O)c2c1-c1ccccc1
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2235559,COC(=O)c1ccccc1NC(=O)c1cc2ncc(Br)cn2n1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID658918,COc1ccc(-c2cc(=O)[nH]c(=O)[nH]2)cc1
+,,0.0,,,0.0,,,0.0,,,,,,,,,CID647467,CCc1ccc(-c2ccc(C(=O)O)cc2)nc1
+,,,,,,,,0.0,0.0,,,,0.0,,,,CID265714,O=c1cc(-c2ccc3c(c2)OCO3)oc2ccccc12
+,0.0,,,,,,,,,,,,,,,,CID3243970,C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID2909735,COC(=O)CSC1=C(C#N)C(c2ccccc2F)CC(=O)N1
+,,,0.0,,,,,,,,0.0,,,,,,CID894134,Cc1ccc(SCCC(=O)N2CCOCC2)cc1
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID787504,COc1ccc(S(=O)(=O)Nc2nnc(C)s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1179587,CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)csc1NC(=O)C1CC1
+,,,,,,,,,,,,,,,,0.0,CID3241536,CC1(C(=O)NC2CCCCCCC2)CCC(=O)N1CCN1CCOCC1
+0.0,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,,CID977051,COc1cccc(-c2nn(-c3ccccc3)cc2CO)c1
+,,,,,,,,,,,,,0.0,,,,CID2020010,COc1ccc(-c2noc(CCC(=O)N3CCCCC3)n2)cc1
+,,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID2964374,COc1ccc(Cl)cc1N1CC(C(=O)Nc2nccs2)CC1=O
+,,,,,,,,0.0,,,,,,,,,CID743638,COc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C
+,0.0,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID1234098,Cc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1
+,,,,,,0.0,,,,,0.0,,,,0.0,,CID829764,CCN(CC)c1ccc2oc(=O)c(C)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID4961648,Cc1ccc(C2=NN(C(=O)CCl)C(c3cccs3)C2)o1
+,,,,,,,,0.0,,0.0,,,,,,,CID725423,CC(C)OC(=O)c1ccc(NC(=O)c2ccco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2695586,Cc1cc(NC(=O)CO/N=C/c2ccc3c(c2)OCO3)ccc1Br
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID715211,CC1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID3236257,O=C(Cc1c(C(=O)O)[nH]c2ccccc12)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID624746,CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3ccccc32)=C(O)C1
+,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,0.0,,CID644565,COC(=O)c1ccc(-n2nnnc2SCC(=O)Nc2cc(OC)ccc2OC)cc1
+,,0.0,,,,,0.0,0.0,,,,,0.0,,,,CID5587097,Cc1cccc(N/C(N)=N/c2nc(=O)c3c([nH]2)CCCC3)c1
+,,,,,,,,,0.0,,,,0.0,,,,CID4360343,COc1ccccc1N1C(=O)c2ccccc2NC1C(OC)OC
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID1085718,NC(=O)CN1CCN(C(=O)Nc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2158147,COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3)c2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID666126,Fc1ccc(OCc2nn3cnnc3s2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3217962,CCCN1C2CCCC1CC(NC(=S)Nc1cc(C)ccc1C)C2
+,,,,,0.0,,,,,,,,,,,,CID1314375,CCCn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccncc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID2842565,CCCSc1nc(=O)c(CC)c(O)n1C(C)CC
+,0.0,0.0,,,,,,,,,,0.0,,,0.0,,CID584305,O=C(NCc1ccccn1)Nc1cccc(NC(=O)NCc2ccccn2)c1
+,,,,,,,,0.0,,,,,,,,,CID632022,CCOC(=O)c1c(NC(=O)C(F)(OC)C(F)(F)F)sc2c1CCN(C)C2
+,0.0,,,,,,,,,,,,,0.0,,,CID3236960,Cc1nc2sc(C(c3ccco3)N3CCOCC3)c(O)n2n1
+,,,,,0.0,,,,,0.0,,,,,,,CID3239608,O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(F)cc2Cl)c1=O)NCc1ccco1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID661363,N#Cc1nc(COc2ccc(Br)cc2)oc1NCCCn1ccnc1
+,,,,,,,0.0,0.0,,,,,,,,,CID644689,CCOC(=O)CN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1cccc(OC)c1
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID664407,O=c1nc2s/c(=C\c3ccco3)c(=O)n2nc1Cc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID931880,Cc1cc(O)ccc1N/C=C1\CCCC1=O
+,,,,,,,,0.0,,,,,,,,,CID5873782,O=C(c1cc(Br)c(Br)s1)N1CCN(C/C=C/c2ccccc2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID826946,CCNC(=O)c1ccc(-n2nc(C)cc2-c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1897510,CCCCCc1nc(N)c(C#N)c(-c2ccco2)c1CCCC
+,,,,,,,,,,,0.0,,,,,,CID3205311,O=C(CN(Cc1cccs1)C(=O)CCC(=O)Nc1nccs1)NCc1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1488389,Cc1cccc(S(=O)(=O)c2c(C)cc(C)nc2Cl)c1
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+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3238745,Cc1ccc2cc3cc(C(=O)N4CCN(C(=O)c5ccco5)CC4)sc3nc2c1
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+,0.0,,,,,,,,,0.0,0.0,,0.0,0.0,,,CID703784,O=c1nc(-c2cccnc2)[nH]c2ccccc12
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+,,,,,,,,,,,,,0.0,,,,CID2458093,O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1c(F)cccc1Cl
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+,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,CID3237869,O=C(CCSCCc1ccccn1)Nc1ccccn1
+,,,,,,,,0.0,,,,,,,,,CID1240371,Nc1nc(N)c2sc3nc(C(F)(F)F)cc(C(F)(F)F)c3c2n1
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+,,,,,,0.0,,,,,0.0,,,,0.0,,CID658456,Nc1nc(-c2ccc(Cl)cc2Cl)cn1N
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+,,,,,,,,,,,,,0.0,0.0,,,CID2219672,C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID1561919,CN(C1=NC(=O)/C(=C\C=C\c2ccccc2)S1)c1ccc(O)cc1
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+,,,,,,,,,0.0,,,,,,,,CID655383,CCOCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5345936,COC1=C/C(=C2/C(C#N)=C(N)N3C(=C2C#N)Nc2ccccc23)C=CC1=O
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+,,,,,,,,,,,,0.0,,,,0.0,CID2999614,COc1cc(C(=O)NCC(c2ccco2)N2CCCC2)ccc1OCc1c(C)noc1C
+,,,,,,,,,0.0,,,,,,,,CID655704,CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID16189854,CC(C)N1CCN(Cc2cccc3nonc23)CC1CCO
+,,,,,,,,,,,,,,,,0.0,CID663787,COC(=O)C(Cc1ccccc1)NC(=O)NCC1CCCO1
+,,,,,,,,,,0.0,,,,,0.0,,CID2941732,CC1CCc2c(sc(NC(=O)c3ccc(Cn4cc(Br)cn4)o3)c2C(N)=O)C1
+,,0.0,,,,,,,0.0,,,,,,0.0,,CID753685,Cc1cc(C)cc(-n2cc3c(=O)n(C)c(=O)n(C)c3c2)c1
+0.0,,,,,,,,,,,,,,,1.0,,CID5742567,NC1=NC(c2ccc(Cl)cc2)N2C(=N1)Nc1ccccc12
+,0.0,,,,,,,0.0,,,,,,,,,CID650678,Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2204385,O=C(CCC(=O)OCc1ccc(C(=O)Oc2ccccc2)cc1)Nc1cccc2ccccc12
+,,,,,,,,0.0,,,,,,,,0.0,CID645770,CCN(CC)C(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3ccccc3Cl)cc2)o1
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID666972,CC1CCN(CCc2nc3cc(NC(=O)Nc4ccccc4)ccc3n2C)CC1
+,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,,,CID745404,CCc1nnc(NC(=O)c2cccs2)s1
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+,,,,,0.0,,,,,,,,,,,,CID2865230,COc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(F)c1
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+,0.0,,,0.0,,,,,0.0,0.0,0.0,,,0.0,,,CID3239633,CC(CCc1ccccc1)NC(=O)CN1CCN(Cc2ccccc2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID1362561,CCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1
+,0.0,,0.0,,,,,,0.0,0.0,,,,,0.0,,CID3238547,CCc1nnc(SCC(=O)NC2CCCCC2)nc1CC
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID665459,COc1ccccc1-c1nnc(NC(C)=O)s1
+,,,,,,0.0,,,0.0,,,,,0.0,,,CID648036,COc1ccc(C(=O)N2CCSC2=S)cc1OC
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+,,,,,,0.0,0.0,,,,,,,,,,CID5307465,Cc1sc2nc3ccc(N4CCCC4)nn3c(=O)c2c1C
+,,,,,,,,,,,,0.0,,,,,CID660363,COCCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
+,0.0,,,,,,,,,,,,,,,,CID2951338,O=C(c1ccccc1)c1ccc(OCC(O)CN2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2409292,CCC(CC)NC(=O)CCc1nc(=O)c2ccccc2[nH]1
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,0.0,,,CID663643,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2C(C)C)c1
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+,,,,,,,,,,0.0,,,,,,,CID2931018,CC(CNC(=O)C(C)C)NC(=O)C(C)C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID3245623,COCCCNC(=O)Cn1ncc2c(=O)oc3ccccc3c21
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+0.0,,,,,,,,,,,,,,,0.0,,CID4456705,CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID650768,O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(F)cc1
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+,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,CID744884,CCn1c(C)nc2cc(S(=O)(=O)N3CCCC3)ccc21
+,,,,,,,,,,,,,0.0,,,,CID5015747,CC1CCCC(C)N1C(=O)COC(=O)c1ccc(O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1211117,CCOC(=O)c1ccc(NC(=O)COc2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1
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+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID656147,O=C(CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1)Nc1nccs1
+,,,,,,0.0,,,,,,,,,,,CID5769182,NC1=NC2=NC(c3ccc(Cl)cc3)CC(c3ccco3)N2N1
+0.0,0.0,,,,,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,CID645162,CCC(C)N(CC(=O)NCc1ccc(OC)cc1)C(=O)c1csnn1
+,,,,,,,,,,,,,0.0,,,,CID3682087,Cc1sc2c(c1C)c(=O)nc1n2Cc2ccccc2-1
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID678099,Oc1c(CN2CCCCC2)cc(Br)c2cccnc12
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID658007,CCSc1ncc(C#N)c(=O)[nH]1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID1260066,Cc1nnc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID831895,CCn1ncc(/C=N/NC(=O)COc2cc(C)cc(C)c2)c1C
+,0.0,0.0,,,,,0.0,,,,0.0,,,,,,CID889442,Cc1ccccc1OCc1nc2c3cnn(C)c3ncn2n1
+,,,,,,,,,,,,,0.0,,,,CID1225447,COc1cc(/C=N/NC(N)=O)c(Br)cc1OCC(=O)Nc1ccccc1C
+,,,,,,,,,,,,,0.0,,,,CID1429007,COc1cc(S(=O)(=O)NCCN2CCOCC2)ccc1-n1cnnn1
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+,,,,,,,,,,,0.0,,,,,,CID2949657,Cc1[nH]c2ccccc2c1C1(O)C(=O)N(C(C)C)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID16192032,CCn1ccnc1CN(C)Cc1cn(-c2ccc(C)cc2)nc1-c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID5096639,C/C(=N\Nc1ccc([N+](=O)[O-])cc1)c1ccc(-n2nncc2C(C)(C)C)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID3243329,N#Cc1ccccc1-n1c(N)c(C(=O)N2CCCC2)sc1=S
+,,,,,,,,0.0,,,0.0,,,,,,CID883449,CN(C)C(=O)Nc1cccc(OC(=O)N(C)C)c1
+,,,,,,,,,,,0.0,,,,,,CID2354258,Cc1c(N(C)C(=O)c2ccccc2F)c(=O)n(-c2ccccc2)n1C
+,0.0,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID2940209,S=C(NCC1CCCO1)n1nnc2ccccc21
+0.0,,,,,,,,0.0,,,,,,,,,CID3243627,Cc1ccc(-c2noc(CCC(=O)N3CCCc4ccccc43)n2)cc1
+0.0,,0.0,0.0,,0.0,,,,,,,0.0,0.0,,0.0,0.0,CID774163,Cc1cc(Cl)ccc1OCC(=O)N1CCN(C)CC1
+,,,,,,,,,,,,,0.0,,,,CID6272597,Cc1ccc(NC(=O)COC(=O)/C=C/c2cccc(Cl)c2)cc1S(=O)(=O)N1CCOCC1
+,,0.0,,,,,0.0,,,,,,,,,,CID2998525,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1C(=O)OCC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID954521,CCCn1nnnc1NC(=O)c1ccc(C)cc1Cl
+,,,,,,,,,0.0,,,0.0,,,,,CID5390020,CC1=NC2=NC3=C(C(=O)CC(c4ccco4)C3)C(c3ccccc3)N2N1
+,,,,0.0,0.0,0.0,,,,,,,,,,0.0,CID665222,CC1(C)Cc2c(sc3c2c(=N)n(Cc2ccco2)c(=O)n3Cc2ccc(F)cc2)CO1
+,,,,,,,,,,,,,0.0,0.0,,,CID708262,COc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1576504,Cc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3C)C2=O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3146836,CCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1cccs1
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+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID5309075,CCOC(=O)N1CCC(NC(=O)c2cnn3ccccc23)CC1
+0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,,CID651957,CC(=O)OCCn1c(Br)nc2c1c(=O)[nH]c(=O)n2C
+0.0,,,,0.0,,,,,,,,,,,0.0,0.0,CID662504,CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn23)c1
+0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,0.0,CID863161,COc1ccc(NC(=O)CSc2nccc(C)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1094796,O=C(OCc1ccc(Br)cc1)c1ccncc1
+,,,,,,,,,,,,,0.0,,,,CID903038,C/C(Cn1nc([N+](=O)[O-])cc1C)=N\NC(=O)c1ccc(O)cc1O
+,,,,,,,,,,,,,0.0,,,,CID4883651,COc1ccc(C)cc1NC(=O)C1CC(=O)N(CCc2ccccc2)C1
+,0.0,,,,,,,,,,,,,,,,CID3239579,NC(=O)CCCC1=NS(=O)(=O)c2ccccc2N1
+,,,,0.0,,,,,,,,,,,,,CID645190,Cc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCC(=O)Nc2nccs2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2506795,Cc1csc(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID2946486,CC1CCc2cc(F)ccc2N1C(=O)C12CCC(C)(C(=O)O1)C2(C)C
+,,,,,,,,,,0.0,,,,,,,CID975915,Cc1cc2oc(C(=O)NCc3ccc4c(c3)OCO4)c(C)c2cc1C
+,,,,,,,0.0,0.0,,,,0.0,,,,,CID648842,CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)c1cccnc1
+0.0,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID649041,Cn1c(C(=O)NCc2ccc3c(c2)OCO3)cc2sccc21
+,,,,,,,,,,,,0.0,,,,,CID2961566,CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID2225158,CC(C)OCCCNC(=O)c1ccncc1
+,,,,,,,,,,0.0,,,,,,,CID977493,COc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1
+0.0,,,,,,,,,,,,,,,,,CID648672,Nc1n[nH]c(-c2ccc(Br)cc2)c1Cl
+,,,,,,,,,,,,,0.0,,,,CID2099187,CN(C)CCCNS(=O)(=O)c1ccc(Cl)s1
+0.0,,,0.0,,,,0.0,,0.0,0.0,,,,,,0.0,CID2327519,O=C(Nc1ccccc1)C1=C(N2CCOCC2)/C(=C/c2cccnc2)CC1
+,,,,0.0,,,,,,,,,,,,,CID2769925,CN1C(=O)/C(=C2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)c2ccccc21
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+,,,,,,,0.0,,0.0,,,0.0,,0.0,,,CID2897810,CCOC(=O)C1CCN(C2CC(=O)N(c3ccc(OCC)cc3)C2=O)CC1
+0.0,,,0.0,0.0,,,0.0,,,,,,0.0,,0.0,,CID665573,COc1ccc(-c2nnc3sc(COc4ccc(C)cc4)nn23)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID646160,CC1(C)Cc2ccccc2-c2nnc(SCc3ccc(C#N)cc3)n21
+,,,0.0,,0.0,0.0,0.0,0.0,,0.0,,0.0,,,0.0,,CID682457,CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3245260,O=C(CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)Nc1nccs1
+,,0.0,,0.0,,,,,,,,,,,,,CID3243878,COc1ccc2nc(NC(=O)C(NS(=O)(=O)c3cccs3)C(C)C)sc2c1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID2185533,CC(=O)Nc1cccc(-c2nnc(SCC(=O)N3CCCCC3)n2C)c1
+,0.0,,,,,0.0,,,,,,,0.0,,,,CID3237960,Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
+,,,,,,,,,0.0,,,,,,,,CID3203617,CCCC(c1nnnn1CCOC)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)CC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID1944429,CCOc1ccc(-n2c(N)c(C(=O)NCc3ccco3)c3nc4ccccc4nc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID3548972,CCOC(=O)C1C(=O)C=C(c2cccs2)CC1c1ccccc1C
+,,,,,,,,0.0,,,,,,,,,CID1945094,CC1(C)CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1
+,,,,,,0.0,,,,,,,,,,,CID664244,Cc1coc(C)c1C(=O)CC1(O)C(=O)Nc2cc(Cl)cc(Cl)c21
+,0.0,,,,,,0.0,,,,,,,0.0,,,CID5307332,CCN(CC)CCCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C
+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,0.0,CID663445,COc1ccc(NC(C)=O)cc1NC(=O)CSc1nnc(-c2ccccn2)n1C
+,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,CID768189,O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCC2)c1
+,,,0.0,,,,,,,,,,,,,,CID2984512,Cc1nc(NC(=O)C23CCC(C)(C(=O)O2)C3(C)C)sc1C
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID549134,Cc1cc(C)nc(Sc2ccc3nnnn3n2)n1
+,,,,,,,,0.0,,,,,,,0.0,,CID3236708,CCCNS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID3224479,COc1cccc(-c2ccc(=O)n(CC(=O)Nc3ccc(C(=O)N4CCCC4)cc3)n2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID760434,Cc1cc(C(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)c(C)o1
+,,,,,,,,,0.0,,,,,,,,CID832003,Cc1c(Cl)c(C(=O)NC2CCCC2)nn1C
+,,,,,,,,0.0,,,0.0,,,,,,CID871726,CN1C(=O)N2CN(C3CCCCC3)CN3C(=O)N(C)C1C23
+,,,,,,,,,,,0.0,,,,,,CID2174448,C=CCNC(=O)c1ccccc1NC(=O)c1cccc2ccccc12
+,0.0,,,0.0,,0.0,,0.0,,,0.0,,,,0.0,,CID2999859,COc1ccc(-n2cnnc2SC(C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID666205,Cc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(c2ccccc2C)C1=O
+,,,,,0.0,,,,,,,,,,,,CID2891689,C=CCN1C(=O)/C(=c2\sc3n(c2=O)C(c2ccc(OC)c(OC)c2)C(C(=O)OC)=C(C)N=3)c2ccccc21
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID5310225,CCOc1ccc(CC(=O)NCc2cn3c(C)csc3n2)cc1
+,,0.0,,,,,0.0,,,0.0,,,,,0.0,0.0,CID646874,Cc1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)n2)o1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID3240414,CCC(=O)Nc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1
+,0.0,,,,,,,,,,,,,,,,CID649946,CCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2c3c(cccc3c1=O)CC2
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID661047,CC(C)C(C(=O)Nc1nccs1)c1ccccc1
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID1222070,O=C(c1ccc(COc2ccc(Cl)cc2)o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,0.0,0.0,,,,,,,,,,0.0,0.0,,,CID667174,COc1ccc(CNc2nc3nc(C)cc(C)n3n2)cc1OC
+0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID802092,C=CCn1c(-c2cc(OC)c(OC)c(OC)c2)n[nH]c1=S
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+,,,,0.0,,0.0,,,,,,,,,,,CID658822,CCOC(=O)c1cc(CC)sc1NC(=O)C1CC1
+,,,,,,,,,,,0.0,,,,,,CID752044,COc1ccccc1CSc1nc2ccccc2[nH]1
+,0.0,,,,0.0,0.0,,,,,,,,,0.0,,CID985327,Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2c3c(sc2n1)CCC3
+,,,,,,,,,,,,,0.0,0.0,,,CID1073973,O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)N1CCOCC1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1170767,CCOC(=O)Cn1nnnc1CN(CCc1ccccc1)Cc1cc2cc(CC)ccc2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID1271324,O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccccc2)s1
+,,,,,0.0,,,,,,,,0.0,,,,CID5310917,CCCN/C=C1\Sc2ccc(OCC)cc2C1=O
+,0.0,,,,,,,,,,,,,,0.0,,CID4547253,Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID5725609,O=[N+]([O-])c1ccc(OC/C=C2\Oc3ccc([N+](=O)[O-])cc3C2N2CCOCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3532800,Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)o1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID711084,CCN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,0.0,CID881008,O=C(Cc1ccccc1)Nc1ccccc1CO
+,0.0,,0.0,,,0.0,0.0,,,,,,0.0,,0.0,,CID566573,CCC(O)(CCN1CCCCC1)c1ccccc1
+,,0.0,,,0.0,0.0,0.0,,,,,,,,,,CID5308246,COc1ccc(N2C(=O)C3CCCN3C2c2cccc(C)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID872204,O=C(N/N=C/c1cccnc1)c1ccc([N+](=O)[O-])cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1252026,O=C(Nc1ccc(F)cc1)c1ccccc1NS(=O)(=O)N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID3104491,O=C(NN1C(=O)C2C3C=CC(C3)C2C1=O)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID3152247,O=C(Cc1cccc2ccccc12)NCC1CCCO1
+,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,,,,,CID2863238,COc1cc(C2C(C#N)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCCO
+,,0.0,,0.0,,,,,,,,,,,,,CID3239950,CCN1CSC(=S)N(Cc2ccc(OC)cc2)C1
+,,,,,0.0,,0.0,0.0,,,,,,,,,CID737702,Cn1c(NC(=O)c2ccc3c(c2)OCO3)cc(=O)n(C)c1=O
+,,,,,,,,,,,,,,0.0,,,CID1484401,Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(N(C)C)n1
+,,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID2293105,COc1ccccc1OCCNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
+,,,,,,,,,,,1.0,,,,,,CID1254875,O=c1oc(-c2ccc(Br)o2)nc2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID852165,Cc1nc(-c2ccc(NC(=O)C3CCCCC3)cc2)cs1
+,0.0,,0.0,,,0.0,,,,,,,,0.0,,,CID770964,O=C(Cc1ccccc1)Oc1ccccc1N1C(=O)CCC1=O
+,,,,,,,,,0.0,,,0.0,,,,,CID3243984,CCCOc1ccc2oc(=O)c3c(c2c1)CCCN3C(=O)CN1CCN(C(=O)c2ccco2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID1488551,Cc1ccc(CNS(=O)(=O)NCc2ccccc2)cc1
+,0.0,,,0.0,,0.0,,,,,,,0.0,,,0.0,CID3235786,Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)NCc3ccco3)c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2289051,CCOc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl
+,,,,,0.0,,,,,,,,,,,,CID1859346,COCCOC(=O)c1c(C)oc2ccc(O)cc12
+,,,,,,,,,,,,,,0.0,,,CID5186457,CC1CCCC(NC(=O)c2cccc(N3CCCC3=O)c2)C1C
+,0.0,,,,,0.0,,,,,,,,,,,CID752479,N#Cc1cc2sc3nc4ccccc4n3c2cc1C#N
+,0.0,,,,,,0.0,,0.0,,,,,0.0,,,CID3245508,Cc1ccc(CN2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)cc1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID2575423,Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3c(=O)n2CCCO)n1
+,,,,,0.0,0.0,,,,,0.0,,,,,0.0,CID3235637,O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)NC2CCCC2)c1=O)NC1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID1973967,O=C(NCCc1c[nH]c2ccc(Cl)cc12)c1cccnc1
+0.0,,,,,,,,,,0.0,,,,,,0.0,CID975107,COc1ccc(C(=O)n2nc(-c3ccccc3)nc2N)cc1OC
+,,,,,0.0,,,,0.0,,,,,,,,CID1091555,CCC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+,0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID3241606,COc1cccc(-n2nnc3c(=O)n(Cc4cccc(F)c4)cnc32)c1
+,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,0.0,0.0,CID2932795,CCC(Oc1ccccc1)C(=O)NCc1cccnc1
+,,,,,,,,0.0,,,,,,,,,CID2133909,COC(=O)Nc1ccc(S(=O)(=O)N(C)CC(F)(F)C(F)F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2413900,COCCCNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1
+,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,0.0,CID2079613,COC(=O)c1ccccc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID3113713,Cn1c(CC(O)c2ccccc2)nc2ccccc21
+,,,,,,,,,0.0,,,0.0,,,,,CID5739357,CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cc(OC)ccc2OC)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1632235,O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccccn1
+,,,,,,,0.0,,,,,,,,,0.0,CID649778,Cc1cc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)CC2CCCO2)ccc1-n1cnnn1
+,,,0.0,,,,,,0.0,,,,,,,,CID712822,CC(C)CSc1n[nH]c2nc(=O)cc(N)n12
+0.0,,,,,,,,,,,,0.0,,,,,CID5307771,Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)c1
+,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID3238989,CCCCNC(=O)C1CCN(S(=O)(=O)c2cnc[nH]2)CC1
+,,,,,0.0,,,,,,,,,,,,CID9551610,O=C1C2C3C=CC(C2C(=O)N1C1CCCCC1)C1C(=O)N(C2CCCCC2)C(=O)C31
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID5307228,NC(=O)C1CCN(C(=O)c2cc3ccccn3n2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2287035,C#CCOc1ccc(/C=N/O)cc1Cl
+0.0,,,,,,,,0.0,,0.0,,,,,,,CID3240552,COc1ccc(Br)cc1CNC(=O)CCN1C(=O)COc2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID2872850,O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID2886188,O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCOCC2)c1
+,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID1297632,O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,0.0,,,,,,,,,CID1257653,Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCc1ccccn1
+0.0,,0.0,,0.0,,,,,0.0,,,,,,,,CID3239959,COc1ccc(OC)c(S(=O)(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID2224251,CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccc(Cl)cc1
+,,,,,0.0,,,,0.0,,,,0.0,0.0,,,CID756861,CSc1nc(-c2ccccc2)[nH]c(=S)c1C(C)=O
+,,,0.0,,,,,,,,,,,,,,CID715155,FC(F)(F)c1ccc2c(c1)nc1n2CCCC1
+,,,,,,,0.0,,,,,,,,,,CID649251,CC1(C)CC(=O)C(CC(=O)Nc2ccc(S(N)(=O)=O)cc2)=C(O)C1
+0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,0.0,CID1262352,CN(C)S(=O)(=O)c1cccc(C(=O)NCCc2ccccc2)c1
+,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID2865989,O=C(O)C1CC=CCC1C(=O)Nc1cccc(F)c1
+,,,,,,,,,,,,,0.0,,,,CID992744,Cc1ccc(NC(=O)c2ccccc2OCC(=O)Nc2cccc(Cl)c2C)nc1
+,,,,,,,,,,,,,0.0,,,,CID389166,CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID1918367,C=CCN1C(=O)NC(=O)/C(=C/c2ccc(OC)c(CSc3ccccn3)c2)C1=O
+,,,,0.0,,,0.0,,,,,,,,,,CID78735,COC(=O)c1cc(OC)c(OC)c(OC)c1N
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID1387766,COc1ccc(-c2nn(CC(=O)N3CCCCC3)c(=O)c3ccccc23)cc1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2116120,CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2c(C)noc2C)cc1
+,,,,,,0.0,,,,,,,,,,,CID663739,COC(=O)C(Cc1ccccc1)NC(=O)NCc1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID4967728,CC1(C)NC(=O)N(CC(=O)OCC(=O)Nc2cccc(S(N)(=O)=O)c2)C1=O
+,,,,,,,,,,,,0.0,,,,,CID676133,Cc1cc(C)c2c(-n3cccc3)c(C(=O)O)sc2n1
+,,,,,,,,,,,,,0.0,,,,CID1211468,Clc1cccc(Oc2ncccn2)c1
+0.0,,0.0,0.0,,,,,,,,0.0,0.0,,,,0.0,CID3237232,CCC1CCCCN1C(=O)Cn1c(C(=O)OC)cc2ccsc21
+,,,0.0,,0.0,,,,0.0,,,,,,,,CID2342940,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc2C1
+,,,,,,,,,,0.0,,0.0,,,,0.0,CID648736,COc1ccccc1N(C(=O)Cn1nnc2ccccc21)C(C(=O)NCc1ccco1)c1ccc(C)o1
+,,,,,,,,,0.0,,,,0.0,,0.0,,CID3239901,C=C(C)Cn1c(C(C)NC(=O)CCC)nc2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID658996,Cc1csc2nc(CSc3nncn3-c3ccccc3)c(Br)n12
+,,,0.0,,,,0.0,,,,,,,,,,CID5389874,COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
+,,,,,,,,0.0,,,0.0,,,,,0.0,CID1179237,O=C(NCCN1CCOCC1)NC1(C(F)(F)F)Oc2ccccc2O1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID1106331,CN(c1ccc(C(=O)N2CCCCC2)cc1)S(=O)(=O)c1ccccc1
+0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,,,CID653400,CC1CCN(C(=O)CN2C(=O)C(C)(C)Oc3ccc(C(=O)NC4CCCC4)cc32)CC1
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID2156086,COc1cccc(-n2c(SCC(=O)N3CCOCC3)nc3c([nH]c4ccccc43)c2=O)c1
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2243291,COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1
+,,,,,,,,,,,,,,0.0,,,CID2263078,N#C/C(=C/c1ccc2c(c1)OCO2)C(=O)Nc1ccc(O)cc1
+,,,,,,,,,,,,,,0.0,,,CID16192453,CC(C)Oc1cccc(C(=O)C2CCCN(C(=O)c3csnn3)C2)c1
+,,,0.0,,,,,,,0.0,,,,,,,CID3235763,O=C1C2CCCN2C(c2cccnc2)N1c1nccs1
+,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID734979,CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1N
+0.0,,,,,,,,,,,,,,,,,CID3700159,CCOC(=O)C1CCCCN1Cc1ccc(F)c(Br)c1
+,,,0.0,0.0,,0.0,,0.0,,0.0,,,,,0.0,,CID3236572,CCOC(=O)N1CCc2c(sc3c2C(=O)NC(c2ccccc2)N3)C1
+,,,,,,,,,,,0.0,,,,,,CID3583854,CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21
+,,,,,,,,,,,0.0,,,,,,CID1653579,O=c1[nH]c2ccccc2n1C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID2221700,CCn1c(CNC(=O)Cc2ccc(OC)cc2)nnc1SCCOc1ccccc1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID3244548,CCN(CCCNC(=O)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1)Cc1ccccc1
+,,,,,,,,,0.0,,0.0,0.0,,,0.0,,CID885668,COCC(=O)NCc1ccc2c(c1)OCO2
+,0.0,,,,,,,,0.0,,0.0,,,,,,CID2100259,O=C(COc1ncnc2sccc12)N1CCc2ccccc2C1
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,,,,,CID1094980,O=S(=O)(N1CCOCC1)n1c(Cc2ccccc2)nc2ccccc21
+0.0,0.0,,,,,,,,,,,,,,,,CID3244597,C=CCNc1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1
+,,,,,0.0,,,,,,,,,0.0,,,CID2303737,CCN(CC)C(=O)CCNS(=O)(=O)c1ccc(C)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID1263051,Cc1ccc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c(C)c1
+,,,,0.0,,,,,,,,,,,,,CID3243175,Cn1c(CCCNC(=O)c2ccccc2)nc2ccccc21
+,,,0.0,,,0.0,,,0.0,,,,,,,0.0,CID2933024,O=C(O)C1C2C=CC(C2)C1C(=O)NCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID2289653,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)NCCSCc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2028187,COc1ccc(/C=C2\N=C(C)N(c3ccc(C(=O)O)cc3)C2=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID703075,Cc1no[n+]([O-])c1COc1ccc(/C=C(\C#N)C(N)=O)cc1
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID1484938,O=S(=O)(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5348683,Cc1ccc(C(=O)/C=C/c2c[nH]c3ccccc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID4878039,Cc1cccc(C)c1OCCN1C(=O)NC(C)(c2ccccc2)C1=O
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID1704748,Cc1sc2ncnc(SCC#N)c2c1C
+,,,,,,,,,,,,,,,0.0,0.0,CID2943924,CS(=O)(=O)N(CC(=O)N1CCCCCC1)c1ccc2c(c1)OCCO2
+,,,0.0,,,,,,,,,,,,0.0,,CID3699326,O=C(OCn1nnc2ccccc2c1=O)c1cc2ccccc2o1
+,,0.0,0.0,,,0.0,,,,,,0.0,,,,,CID868983,NC(=O)c1c(NC(=O)c2cccs2)sc2c1CCCCCC2
+0.0,,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID854894,N#Cc1nc(-c2ccc(F)cc2)oc1NCc1ccccc1
+,,,0.0,,,,,,,0.0,,,,,,,CID3245302,CCN(CCCNC(=O)C1CCN(S(=O)(=O)CC)CC1)c1ccccc1
+0.0,,,,,0.0,,,0.0,0.0,,,,,,,,CID1082867,COc1ccc(C(=O)Nc2ccccc2C(=O)NCc2ccco2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID2302638,O=S(=O)(NCCOc1ccccc1)c1ccc2ccccc2c1
+,,,,,,,0.0,,0.0,0.0,0.0,,,,,,CID645899,CCCCn1c(SCC(=O)N2CCCc3ccccc32)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,0.0,0.0,,,,,0.0,0.0,,,,CID563388,Nc1c(C2=NCCO2)nnn1Cc1ccccc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2984196,COC(=O)c1ccc(NC(=O)CC2C(=O)N(c3ccc(C)cc3)C(=O)N2CC(C)C)cc1
+,,,,,,,,0.0,,,,,,,,,CID1148925,CCOC(=O)c1cnc(SCC(=O)Nc2cccc(OC)c2)nc1N
+,,,,,0.0,,,,,,,,,,,,CID2767764,OC1(c2ccccc2)c2ccccc2-c2ncccc21
+0.0,,,,,,,0.0,0.0,,,0.0,,0.0,,,0.0,CID2882766,COc1ccc(CCN2C(=O)CC(N3CCN(c4ccccn4)CC3)C2=O)cc1OC
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID762581,O=C(O)CCCC(=O)Nc1ccccc1Br
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID648199,COCCN(CC(=O)NCc1ccccc1)C(=O)CCC(=O)Nc1nccs1
+,,,,,,,,,,,,,0.0,,,,CID1486589,O=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl
+0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,,,CID654174,CC(C)(C)c1nc(SCC(=O)NCc2ccco2)c2ccccc2n1
+,,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID726998,COC(=O)c1c(NC(=O)c2ccco2)sc(C)c1C
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID665063,O=S(=O)(Nc1ccc2nc(-c3ccc(Br)o3)[nH]c2c1)c1ccccc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1476363,Cc1ccccc1Cn1cnc2c([N+](=O)[O-])c(C)c(C)cc21
+,,0.0,,,,,,0.0,0.0,,,0.0,,0.0,0.0,,CID656274,Cc1cc(NC(=O)C(C)C)ncc1NC(=O)CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID951870,CCCn1c(Cc2ccccc2)n[nH]c1=S
+,,,,,,,,0.0,,,,,,0.0,0.0,,CID566593,COc1cc(S(=O)(=O)N2CCCCCC2)c(OC)cc1Br
+,,,,,,,,,,,,,,,0.0,0.0,CID3238732,O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NC1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID1988918,Cc1nn2c(-c3cccc(NC(=O)c4ccco4)c3)nnc2c2ccccc12
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID3242020,O=C(CN1C(=O)C2C3C=CC(C3)C2C1=O)NCc1ccc2c(c1)OCO2
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID674479,O=c1nc(NC2CCCC2)ccn1Cc1cccc(Br)c1
+,,,,,,,,,,,,0.0,,,,,CID3245349,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,0.0,0.0,,,CID1255215,CCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1
+,,,0.0,,,,,,,0.0,,,,,,,CID5389896,O=C1CC(c2ccccc2)N2NC(NC(=O)CCc3ccccc3)=NC2=N1
+,0.0,0.0,,,,,0.0,,,,,,,,,,CID3236610,O=C(CN1CCN(CC(=O)Nc2ccc3c(c2)OCO3)CC1)Nc1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2892678,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2F)o1
+,,,,,,,,,,0.0,,,,,,,CID1164757,O=C(c1ccco1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1
+0.0,,,,,,,,0.0,,,0.0,,,0.0,,,CID660500,COc1cccc(CN2CCN(C(=O)COc3ccc4ccccc4c3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2334703,COc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cn1
+,,0.0,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,CID648320,CCOC(=O)c1c(NC(=O)CSc2nnnn2-c2ccc3c(c2)OCCO3)sc(C)c1C
+,,0.0,,0.0,,,,,,0.0,,,0.0,,,,CID2155253,COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2c(c1=O)SCC2
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID5308929,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NC1CCCC1
+,,,,,,,,0.0,,,,,,,,,CID800080,COc1ccc2oc(C(F)(F)C(F)(F)F)cc(=O)c2c1
+,,,,,,0.0,,,,,,,,,0.0,,CID5307677,CCc1ccc(C2CC(c3cccc(Cl)c3)N3NC(N)=NC3=N2)cc1
+,,0.0,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,CID2155154,COC(=O)c1ccc(CSc2nc3c(c(=O)n2-c2ccccc2)SCC3)o1
+,0.0,0.0,,,,,0.0,,,,,,0.0,,,,CID645317,Cc1nnc(Nc2ccccn2)c2ccccc12
+,,,,,,,,,,,,,,,0.0,,CID3245574,CC(NC(=O)c1ccc(N(C)C)cc1)C(c1cccs1)N1CCN(C)CC1
+,,,,,,,,,0.0,,,,,,,,CID5337674,Cc1cc(C)n(N/C=C2\C=Nc3ccccc32)c(=O)c1C#N
+,,0.0,,0.0,0.0,0.0,,,,,,0.0,,,,,CID722328,c1ccn2cc(CSC3=NCCS3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID2853999,CC(=O)NC(c1ccccc1)C1C(=O)N(c2ccccc2)N=C1C
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID3239261,CC(NC(=O)c1cc2sccc2n1C)c1ccc2c(c1)OCCO2
+,0.0,0.0,,,,0.0,,0.0,0.0,,,,,,,,CID1300364,Cc1cc(OCC(=O)N2CCOCC2)ccc1NC(=O)C1CCCCC1
+,,,,,,,0.0,,,,,,,,,0.0,CID653822,CC1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CC(=O)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID5207616,CC(C)(C)C(=O)NC1(C(F)(F)F)N=C2SCCN2C1=O
+0.0,,,,0.0,,,,,,,,,,,,,CID3240867,Cc1nc2ccccc2n1-c1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,,,,,,,,,0.0,,,,,,CID787714,c1ccc2c(Nc3nc4c(s3)CCCC4)cccc2c1
+,,,,,,,,,,,,,,0.0,,,CID691988,CN(C)c1ccc(C(=S)N2CCCCC2)cc1
+,,,,0.0,,,0.0,,,,0.0,,,,,0.0,CID3236137,Cc1cccc(C)c1NC(=O)CC(NCc1ccco1)C(=O)O
+,,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID3238352,CCC1CCCCN1C(=O)CSc1nnc(-c2ccc3c(c2)OCCO3)o1
+,,,,0.0,,,,,,,,,,,0.0,,CID659295,N#CC1=C(N)NC(SCc2ccc(Cl)cc2)=C(C#N)C12CCCCC2
+,,,,,,,,0.0,,,,,,,0.0,,CID662666,O=S(=O)(NCc1cccnc1)c1ccc(Br)s1
+,,,,,,,,,,,,,0.0,,,,CID1736409,Cc1nc2sc3c(c2c(=O)n1NC(=O)CCBr)CCCC3
+,,0.0,,0.0,,,,,,,,,,,,,CID3238093,Cc1cccc2sc(NC(=O)CN(C)S(=O)(=O)c3cccs3)nc12
+,,,0.0,,,,,,,,,,,,,,CID2931677,Cc1ccc(CNC(=O)C2C3C=CC(C3)C2C(=O)O)cc1
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+,,0.0,1.0,,,,,,,,,,,,,,CID4639586,c1cn(CCCNc2ncnc3nc[nH]c23)cn1
+,,,,,,,,,,,0.0,,,,,,CID2125358,CCOc1ccc(NC(N)=O)cc1OCC
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+,,,,,,,,,,,,,,0.0,,,CID3597858,CC1C=CCC2C(=O)N(c3ccc(Cl)cc3O)C(=O)C12
+,,,,0.0,,,,,,0.0,,,,,,,CID663973,CN1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCc4ccc(F)cc4)n32)C1
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+,,,,,,,,,0.0,,,,,0.0,,0.0,CID646026,CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2ccccc2OC)CC1
+0.0,,,,,,0.0,,,,,,,,,,,CID5307836,Cc1ccc2oc(=O)c3cnn(CC(=O)NCCN4CCOCC4)c3c2c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2357033,COc1cc2c(cc1NC(=O)CSc1ccccn1)oc1ccccc12
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+,0.0,0.0,,,,,,,,,,,,,,,CID3245069,Cc1cc(C(=O)NC(C)C)on1
+,,,,,,,,,0.0,,0.0,,,,,,CID2249530,COc1ccc(C(=O)/C=C/Nc2ccccn2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID11958592,O=C(NCC1CCCO1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)O
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+,,0.0,,,,,,,,,,,,,,,CID1252468,O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccco1)CCC3)N1CCc2ccccc21
+0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,,,CID655792,O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccco1
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+,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID2095897,CC1CCN(C(=O)COC(=O)c2cc3ccccc3cc2O)CC1
+,,,,,,,,,,,0.0,,,,,,CID2141777,CCOC(=O)CN1C(=O)C(=O)c2cccc(C)c21
+,,,,0.0,,,0.0,,,,,,,,,,CID648788,COc1ccc(CC(=O)Nc2nccs2)cc1OC
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID812967,CC(=O)Nc1ccc(OC(=O)c2ccco2)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID535662,O=C(CSCC(=O)N1CCOCC1)Nc1ccccc1
+,0.0,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,,CID657539,OC1(Cc2ccn[nH]2)CCCCC1
+0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,,CID3243376,COc1ccc(OC)c(C2=NOC(C(=O)Nc3cccc(C(C)=O)c3)C2)c1
+,,,,,,,,,,0.0,,,,,,,CID5360959,Cc1cc(N/C(O)=C2\C(=O)c3ccccc3S(=O)(=O)N2C)no1
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID3237266,Cc1cc(C(F)(F)F)nc(NCc2cccnc2)n1
+,,,,0.0,,,,,,,,,,,,0.0,CID736970,N=c1sc2ccccc2n1-c1ccccc1
+,,,,,0.0,,,,,,,,,0.0,,,CID2276384,CCCc1n[nH]c2c1C(=O)CC(C)(C)C2
+,,,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,CID2102328,O=C(Cc1ccccc1)Nc1nc(-c2cccs2)cs1
+,0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,CID649266,C=CCSC1=C(C#N)C(c2ccccc2)CC(=O)N1
+,,,,,0.0,0.0,0.0,,,,,0.0,,,,,CID5308074,O=C(NC1CCCCCC1)C1CCCN1S(=O)(=O)c1cccc2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID2330642,Cc1c(NC(=O)CSc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C
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+,,,,,,0.0,,,,,,,,,,,CID5389955,COC1=CC(=O)/C(=C2\N=C(N)NC(C)=C2Oc2ccccc2Br)C=C1
+,,,,,,,0.0,,,,,0.0,,,,,CID5308061,CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)OCC)C3)ccc21
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+,0.0,,,,,,,,,,,,0.0,,,,CID842004,CC(=O)c1cc2c(cc1NC(=O)CCCC(=O)O)OCO2
+0.0,,,,,,,0.0,,,0.0,,,,,,0.0,CID648221,O=C(Cn1c(CC(=O)N2CCCC2)nc2ccccc21)NCc1ccccc1
+,,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID3237667,CSc1nc2c(c(=O)n1Cc1ccccc1)SC(C)C2
+,,,,,,,,,,,,,0.0,,,,CID1488725,CNc1nc(C)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1
+,,,0.0,,,,0.0,,,,0.0,,,,,,CID648438,CC(=O)Nc1ccccc1NS(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,,,0.0,,CID1257206,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OCC)c(C)c2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID2925534,CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NC(C)c3ccccc3)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID16191022,O=C(C1CCN(C2CCN(Cc3ccc4c(c3)CCO4)CC2)CC1)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID3156709,CC1CCCCC1NC(=O)C(=O)NCC1CCCO1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID2398944,Cc1cc(NC(=O)COC(=O)c2cccc(OCc3ccccc3)c2)no1
+,,,,,,,,,,,,,,0.0,,,CID2089929,Cc1ccc(Nc2nnc(SCC(=O)NCCN3C(=O)CSC3=O)s2)cc1C
+0.0,,0.0,,,,,,0.0,,,,,,,,,CID647861,COc1cccc(OC)c1NC(=O)C1CCCN1C(=O)NCc1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,,CID5310671,CCSc1nnc2c(n1)[nH]c1c(C)cccc12
+,0.0,,,,,,0.0,,,,,,0.0,,,,CID2570777,COC(=O)c1ccc(COC(=O)c2ccc(-n3cnnn3)cc2)o1
+,,,,,,,,,0.0,,,,,,,,CID2204063,O=C(Nc1ccc(N2CCOCC2)cc1N1CCOCC1)c1cccs1
+,,,,,,,1.0,,,,,,,,,,CID226259,O=[N+]([O-])c1cc(O)cc2cccnc12
+,,,,,,,,0.0,,,,,,,0.0,,CID3239097,CCOC(=O)c1sc2nc(C)n(CC(=O)NCc3ccco3)c(=O)c2c1C
+,,0.0,0.0,,,,,,,,,,,,0.0,,CID2962844,CC(C(=O)N1CCOCC1)N1c2cccc3cccc(c23)S1(=O)=O
+,,,,,,0.0,,,,,,0.0,,,,,CID5389233,CCCc1nc2ccccc2c(=O)n1N/C=C1\C=CC(=O)C=C1O
+,,,,,0.0,,,,,,,,,,,,CID1477503,Clc1cccc(CSc2nccn2-c2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID795393,Cc1ccnc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c1
+,,,,0.0,,,,,,,,,,,,,CID1262951,COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID5403777,N#CC1=C(SCC(N)=O)NC2=C(CCCC2)C1=C1C=CC(=O)C=C1
+,,,,,,,,,,,,,,,0.0,,CID646682,Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)Cc3nnnn3Cc3ccccc3)cc2c1
+,,,,,,,,,,,0.0,,,,,,CID979025,N#Cc1ccc(-c2ccccc2)nc1SCC(=O)c1cc2ccccc2oc1=O
+,,,,,,,,,,0.0,,0.0,0.0,0.0,,,CID2088608,CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccco2)o1
+0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID666568,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2CCCSc1nc2ccccc2o1
+,,,,,,,,,,0.0,,,,,,,CID3182010,Cc1cccc(N2C(=O)CS/C2=N\NC(=O)c2ccc(Cl)cc2)c1C
+,,,,,,,0.0,,,,,0.0,,,0.0,,CID392871,CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1
+,,,,,,,,0.0,,,,,,,,,CID1898034,CCOC(=O)NC(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID652946,Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2CC2CCCO2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1950548,O=C(Nc1cccnc1)c1ccccc1-c1nc(-c2ccccc2F)no1
+,,,,,,,,,,,,,0.0,,,,CID1790575,O=C(CCc1ccccc1)NNC(=S)NC(=O)c1ccccc1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,0.0,0.0,CID655261,Cn1c(COc2ccccc2)nnc1SCc1cc(=O)[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID6096757,Cc1ccc(S(=O)(=O)N2CCC(=O)N(C(COCc3ccccc3)Cc3ccccc3)CC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1345840,Cn1c(=O)c2c(nc(SCC(=O)O)n2Cc2cc3c(cc2Cl)OCO3)n(C)c1=O
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+,,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID752042,CNc1nc(C)c(C(=O)OCc2ccccc2)s1
+,,0.0,,,,,,,0.0,,,,,,,,CID658966,COc1ccc(Cl)cc1NC1=NCC(C)S1
+,,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID760116,Cc1cc2c(C(F)(F)F)cc(=O)oc2c2c1NCCC2
+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID2952188,Cc1ccc(-c2nnc(N3CCN(C(=O)CSc4ncn[nH]4)CC3)c3ccccc23)cc1
+,0.0,,0.0,,,,,,,,,0.0,,,0.0,,CID645791,COc1cc(NC(=O)C2COc3ccccc3O2)c(OC)cc1Cl
+,,,,,,,,,0.0,,,,,,,,CID1323882,COc1ccc(NC(=S)NCCc2ccc(Cl)cc2)c(OC)c1
+,,,0.0,,,,,,,,,,,,,,CID3544434,CCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1ccc(F)cc1
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+,,,,0.0,,,,,,,,0.0,,,,,CID646909,O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID662271,Cc1cc(C)n(-c2nc(-n3nc(C)cc3C)c3c4c(sc3n2)COC(C)(C)C4)n1
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+,,,0.0,,,,,,,,,,,,,,CID3243584,O=C(NCCN1CCN(c2ccccc2F)CC1)c1cccn2c(=O)c3ccccc3nc12
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+,,,,,,,,,0.0,,0.0,,,,,,CID2017241,COc1ccccc1/C=N/n1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
+0.0,,,,,,0.0,,,,,,,,,,,CID654903,O=C(Nc1ccc2c(c1)CCC2)C1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2464939,CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cc1
+,,,,,,,0.0,,,,,0.0,0.0,0.0,,,CID712743,COc1cccc(Oc2nnnn2-c2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2552605,O=C(O)COc1ccc(/C=N/n2cnc3scc(-c4cccs4)c3c2=O)cc1
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+,,,,,,,,0.0,,,0.0,,,,,,CID719913,CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID743687,CCOc1ccccc1NC(=O)c1ccc(OC)cc1OC
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID912581,Cc1cc(C)cc(-c2nc(-c3ccncc3)no2)c1
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+,0.0,,,,,,,,,,,,,,,,CID3243801,Cc1ccc(NS(=O)(=O)c2cn(C)cn2)cc1
+,0.0,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,CID977504,CN1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)CC1
+,,,,,,,,,,,,,0.0,,,,CID956764,Cc1ccc(Nc2nc(-c3ccc(C)cc3)c(CC(=O)O)s2)cc1
+0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,CID2999404,CC(Sc1nncs1)C(=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,0.0,,,,,,CID1862031,COc1ccc(-n2cnc3cc(NC(=O)c4ccco4)ccc32)cc1
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+,,,,,,,,,,,,,0.0,,,,CID817283,CC1(C)Cc2nc3sc4c(N5CCCC5)nnnc4c3cc2CO1
+,,,,,0.0,,,,,,,,,,,,CID1363481,COC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1
+,,,,,,,,0.0,,,,0.0,,0.0,,,CID2161567,COc1ccc(NC(=O)COC(=O)c2ccc(N3CCCC3=O)cc2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2366104,Cc1cc(C(=O)N2CCN(c3ccccc3)CC2)c(C)o1
+,,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,CID661012,COCCNc1oc(-c2ccc(F)cc2)nc1C#N
+,,,,,,,,,,,,,0.0,,,,CID2363733,Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1
+,,0.0,,,0.0,,,,,,,0.0,,,0.0,,CID5308619,COc1ccc(N(CC(=O)NCc2cccs2)S(=O)(=O)c2cccnc2)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID5933386,CC1=CC(NC2CCCCC2)=N/C(=C2/C=CC=CC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID939343,CC(=O)Nc1nonc1NC(=O)COc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID828415,COc1ccc2cc(CO)c(Cl)nc2c1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID3236692,CC1CC(C)CN(CCCNC(=O)C2CCN(S(=O)(=O)N3CCCCC3)CC2)C1
+,,,,,,,0.0,,,,,,,,,,CID5742568,COc1ccc(C2C=C(c3ccccc3)N=C3N=C(CCCO)NN32)cc1
+,,,,0.0,,,,,,,,,,,,,CID4608256,CC1CCCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCSc2ncccn2)C1
+,,,0.0,,,,0.0,,0.0,,,,,,,,CID3245995,CC1CCCN(C(=O)C2c3ccccc3C(=O)N3CCc4ccccc4C23)C1
+,,,,,,,,,,0.0,,,,,,,CID824053,CCN1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID2463134,Cc1ccc(-c2nn(Cc3ccccc3)cc2/C=C/C(=O)O)cc1
+0.0,0.0,0.0,,,,,,,,,0.0,,,,,,CID3243863,COc1ccc(NC(=O)c2cc(-c3ccccc3OC)on2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2239692,CN(C)S(=O)(=O)N(CC(=O)Nc1cccc(F)c1)c1ccccc1
+,,,,,,,,,0.0,0.0,0.0,,0.0,,,,CID795253,COc1ccccc1CNS(=O)(=O)c1ccc(C)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID658079,O=C(Cc1cscn1)c1ccc(O)cc1O
+0.0,0.0,,,,,,,,,,0.0,,,,,,CID3241207,COc1cc(NC2c3ncccc3C(=O)N2Cc2ccco2)cc(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2838604,COc1ccccc1Nc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]
+0.0,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,0.0,0.0,CID711914,O=C(COc1ccccc1)Nc1cccc2nsnc12
+,,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID2334976,Cc1cnc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cn1
+,,,,,,,,0.0,,,,,,,,0.0,CID544948,CC(=O)C1=C(O)C(=O)N(C2CCCCC2)C1c1ccccc1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,CID3242947,O=C(CCn1c(=O)sc2ccccc21)Nc1nccs1
+,,,,,,,,,,,,,,0.0,,,CID16196694,CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(Cc2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,,0.0,CID3244347,COc1ccc(Br)c(C(=O)Nn2c(C)nc3ccccc3c2=O)c1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID774966,O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,,,,CID1234208,Cc1ccc2nc(C)c3c(c2c1)COC3
+0.0,,,,,,,,,,,,,,,,0.0,CID664511,COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)CN1CCN(c2ccccc2OC)CC1
+,,,,,,,,,,,,,0.0,,,,CID1488969,O=C(/C=C/c1ccccc1)OCc1cncs1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID664212,CCOc1ccc(CCNc2nc3c(c(=O)n(C)c(=O)n3C)n2CC)cc1OCC
+,,,0.0,,,,,0.0,,,0.0,,,,,0.0,CID975450,Cc1cc(C)nc(SCC(=O)c2cc3ccccc3oc2=O)n1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID3243870,CC(C)C(NC(=O)C1CCCCC1)C(=O)Nc1ccc2c(c1)OCCO2
+,,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID3241117,CCOc1cccc2cc(-c3csc(NC(=O)CCC(=O)N4CCN(C)CC4)n3)c(=O)oc12
+,,,,,,,,,,,,,,0.0,,,CID935381,Nc1nn(S(=O)(=O)c2ccccc2)cc1-c1cccc([N+](=O)[O-])c1
+0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2960620,CC1=C(C(=O)Nc2ccccc2C)C2(CCCC2)C(C(N)=O)C(=O)N1
+,,,,,,,,,,,,,,0.0,,,CID2082921,O=C(CN1CCOCC1)Nc1cc([N+](=O)[O-])ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID2359236,O=C(/C=C/c1cccs1)Nc1ccc(Br)cn1
+,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,,,CID2793214,CCc1cc2c(=O)n(C(C)C(=O)OC3CCCCC3)cnc2s1
+,,,,,,,,,,,,,0.0,,,,CID1472561,Cc1ccc(SCC(=O)c2c(C)nc3ccccn23)cc1
+,,,,,0.0,,,,,0.0,,0.0,,,,,CID3236492,O=C(O)C(Cc1ccccc1)N1C(=O)c2ccncc2C1=O
+,0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,CID3242306,O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1ccco1
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID2152338,CCCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID3244498,CCCS(=O)(=O)N1CCC(C(=O)NCCc2ccc(C)cc2)CC1
+,,,0.0,,,,,,0.0,,,,,,,,CID788465,COc1ccc(NC2=C(C)C(=O)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1487464,Cc1cccc(Cn2ccc(-c3ccc(Cl)cc3)c(C#N)c2=O)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3238777,CCCn1c2ccccc2c2nnc(SCC(=O)Nc3ncccn3)nc21
+,,,,,,0.0,0.0,0.0,,,,,,,,0.0,CID2980928,COc1ccc(N2C(=O)CC(N3CCN(c4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)C2=O)cc1
+,,,0.0,,,,,,0.0,0.0,,0.0,,0.0,,,CID2997877,COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1S(=O)(=O)N1CCOCC1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID3243954,c1ccc(-c2nnc3sc(CN4CCC5(CC4)OCCO5)cn23)cc1
+,,0.0,,0.0,,,,,,,,0.0,,,,,CID2420006,COc1ccc(OCCC(=O)OCC(=O)NCc2ccco2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2223406,CCCCC(=O)Nc1ccc(C(=O)NN2C(=O)c3ccccc3C2=O)cc1
+,,,,,0.0,,,,,,,,,0.0,,,CID3149519,Cn1c(=O)c2c(-c3cccc(F)c3)c3c(nc2n(C)c1=O)-c1ccccc1C3O
+,,,,,,0.0,,,,,,,0.0,,,0.0,CID2998751,CC1Cc2ccccc2N1C1=NS(=O)(=O)c2ccccc21
+,,,0.0,,0.0,,,,,,,,,,,,CID5405444,O=C1C=CC2=C(c3ccccc3C(=O)O)Nc3ccc(O)cc3OC2=C1
+,,,,,,,,,,,,,,0.0,,,CID1129578,O=C(NNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1Cl
+,0.0,,,,0.0,,,0.0,,,0.0,,,,0.0,,CID653214,CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2CC)s1
+0.0,,,0.0,,,,,,,,0.0,,,0.0,,,CID888931,COc1cccc(C(=O)Nc2ccccc2N2CCCC2)c1
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID2872881,O=C(NCC1CCCO1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,0.0,,,0.0,,,,0.0,,0.0,,,0.0,,,CID2882880,O=c1c2ccccc2c2ccccc2c(=O)n1CC1CCCO1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID3149209,CC1Oc2ccccc2OC1C(=O)Nc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID6266149,CCCC(=O)Nc1ccc(C(=O)/C=C/c2ccc(SC)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2209102,COCCCNC(=S)NNC(=O)c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID1728564,C=CCNC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID865072,CCOC(=O)CSc1nc(-c2ccccc2)nc2ccccc12
+0.0,,0.0,,,,,,,,0.0,0.0,0.0,,,,,CID3238216,CCOCCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,,,,,,0.0,,,,,,,,CID657672,CCC(=O)Nc1nc(=O)c(Oc2ccccc2)c(C)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID804119,CN(CC(=O)N1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2431792,CCn1c(C)nc2cc(C(=O)n3cc(C(=O)c4cc(F)ccc4O)cn3)ccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID3414515,CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID661081,COC(=O)c1cc(Br)c(=O)n(-c2ccccc2OC)c1
+,,,,,,,0.0,,,,,,,0.0,,,CID3240023,Cc1cc(=O)oc(C)c1C(=O)NCc1ccccn1
+0.0,,,,,,,,,,,0.0,,,0.0,,,CID748124,Cc1cn(C(=O)c2cccc(Br)c2)c(C)n1
+,,0.0,0.0,0.0,,0.0,0.0,0.0,,,,,,,0.0,,CID1266369,COc1ccccc1NC(=O)c1ccccc1NS(C)(=O)=O
+,,,,,,,,,0.0,,0.0,,,,,,CID1933398,C=CCNc1nnc(-c2ccncc2)s1
+,,,,,,,,,0.0,,,,,,,,CID3096982,CCOC(=O)C1=C(C)NC(=S)N(C(C)=O)C1c1ccc(Cl)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID2493153,CCCn1c(=O)c2ccccc2n2c(SCN3C(=O)c4ccccc4C3=O)nnc12
+,,,,,0.0,,,,,,,,,0.0,,,CID3716918,Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OCc3ccccc3)sc2n1
+,,,,,,,,,,,,,0.0,,,,CID6405267,COc1cccc(NC(=O)c2cc(Cl)nnc2Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID5145674,O=C(COC(=O)c1cccc(C(=O)OCC(=O)NC2CC2)n1)NC1CC1
+,,,,,,0.0,,,,,,,,,,,CID651511,O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1cccs1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2930337,O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1
+,0.0,,0.0,,0.0,,,,,,,,,,0.0,0.0,CID649346,CCn1c(COc2cccc(C)c2)nnc1SCC(=O)N1CCCC1
+0.0,,,,0.0,,,,,,1.0,,0.0,,0.0,,,CID1969317,Cn1nnnc1SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1
+0.0,,,,,,,,,,,0.0,,,,,,CID5309240,Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2Cl)n1-c1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID1159999,COc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1Cl
+,,,0.0,0.0,,,,,0.0,,,,,,,,CID1732491,C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1c(C)n[nH]c1C
+,,,,,,,,,,,,,0.0,,,,CID689910,CCOC(=O)c1ccc(NC(=O)c2ccccc2C)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID3239862,Cn1c(=O)n(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2ccccc21
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+,0.0,,,,,,,,,,,0.0,,,,,CID3242426,Cn1c2ccccc2c2cnn(CC(=O)N3CCN(c4ncccn4)CC3)c(=O)c21
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+,,,,,,,,,,0.0,,,0.0,,,,CID2229171,CCCCc1ccc(NC(=O)CSCc2cc(=O)[nH][nH]2)cc1
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+,0.0,,,0.0,,,,,,,,,,,,0.0,CID650995,Cc1nonc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2
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+,,0.0,,,,,,,,,,,,,0.0,,CID2910892,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCn1nnc2ccccc2c1=O
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+,0.0,,,,,0.0,,,,,,,,,0.0,,CID716043,O=C(O)CN(Cc1ccco1)S(=O)(=O)c1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID647607,Cc1ccc(-c2nnn(CC(=O)N3CCN(c4ccccc4)CC3)n2)o1
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+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID648820,COCCn1nnnc1SCC(=O)c1ccccc1
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+,,0.0,,,,,,,,,,,,,0.0,,CID5309559,Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)nnn1CCc1ccccc1
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+,0.0,,,,,,,,,,,,,,0.0,,CID42023,CCOC(=O)c1c(CN2CCOCC2)oc2ccc(OC)cc12
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+,,,,,0.0,,,,,,,,,,,,CID2258240,CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)cc1
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+0.0,,0.0,,0.0,0.0,,,,,,,0.0,,,,,CID3430741,Cc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1
+0.0,,0.0,,,,,,0.0,,,,,,,,0.0,CID3240702,COc1cccc(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1
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+,0.0,,0.0,,,,,,,,,,,,,,CID653320,CN1C(=O)N(C)C2C1NC(=O)N2C
+,,0.0,,,,,,,,,,,,,,,CID973024,CC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
+,,,,,,,0.0,,,,,,,,0.0,,CID5309538,Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NC1CCCC1
+,,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID652906,CCCn1c(=N)c(C(=O)NCC2CCCO2)cc2c(=O)n3cccc(C)c3nc21
+0.0,0.0,0.0,,0.0,,,,,,,0.0,,,,,0.0,CID1246731,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc2c(s1)CCCC2
+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID1483845,CCOC(=O)Cn1c(-c2cccnc2Cl)nc2cc(C)c(C)cc21
+,0.0,,,,,,,,0.0,,,,,,,,CID2227544,CCCCOC(=O)CSc1nnc(N)s1
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+,,,,,,,,,,,,,0.0,0.0,,,CID584201,CNc1ccccc1C(=O)OCC(=O)c1ccccc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID943152,Nn1c(-c2cccs2)nc2sc3c(c2c1=O)CCCC3
+,0.0,,,0.0,,,,,0.0,,,,,,,,CID2560398,CC(=O)NCc1ccc(-c2csc(N)n2)s1
+,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,,,CID715101,O=C(c1ncn[nH]1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1559635,COc1ccccc1N1C(=O)NC(=O)/C(=C/c2ccc3c(c2)Cc2ccccc2-3)C1=O
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+,,0.0,,,,,,,,,,,,,0.0,,CID658587,c1ccc2c(c1)nc1n2CCS1
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+,,0.0,,,,0.0,,,,,0.0,0.0,,0.0,,,CID238492,c1ccc2nc(N3CCCC3)c(N3CCCC3)nc2c1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID2176994,O=C(O)C/N=C(/NS(=O)(=O)c1ccccc1)c1ccccc1
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+,,,,,,,,,0.0,,,0.0,,,,0.0,CID664038,CCC(C)C(NC(=O)N1CCCC1)C(=O)O
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+,0.0,,,,,,,,0.0,,,,,,,,CID2909387,CCN(CC)C(=O)C(C)N(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
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+,,,,,,,,,,,,,,,,0.0,CID1300520,CN(CC(=O)Nc1cccnc1)S(=O)(=O)c1cc(Cl)ccc1Cl
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+,0.0,,0.0,,,,0.0,,,,,,0.0,0.0,,,CID256117,Cn1c(=O)cc(NCc2ccccc2)[nH]c1=O
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+,,,,,,,,,,,,,,,,0.0,CID2966431,CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F
+,,,,0.0,,,,,,,,,,0.0,,,CID658815,N#Cc1c(/N=C/c2ccco2)sc2c1CCCCC2
+,,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID749283,COc1cc(NC(=O)CCc2ccccc2)nc(OC)n1
+,,,,,,,,,,,0.0,,,,,,CID1306756,Cc1ccc(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)cc1
+,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,,CID658589,CCCC(=O)C1=C(c2ccccc2)C(C#N)(C#N)C(C#N)=C1N
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+,,0.0,0.0,,,,,,,,,,,,,,CID601254,N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCCC2
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+,,0.0,,0.0,,,,,,,,,,,,,CID663288,Cc1ccc(S(=O)(=O)c2c(N)n(NC(=O)c3ccco3)c3nc4ccccc4nc23)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID2649844,Cc1ccc(C)c(-n2nnnc2Sc2nnnn2-c2ccccc2)c1
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+,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,,CID3238265,O=C(Nc1ccc(F)cc1)N1CCn2c(nc3ccccc32)C1
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+,,,0.0,,,,,,,,,,,,,0.0,CID717856,COc1ccccc1-c1nc(C(F)(F)F)c(OC)o1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2215441,O=C(CN1CCCCCC1)Nc1ccc(Br)cc1
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+,,,,,,,,,,,0.0,,,,,,CID1908604,Cc1cccc(-n2nnc3cnn(C)c3c2=O)c1
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+,,,,,,,,,,,,,,0.0,,,CID4366104,Cc1ccc(-n2nc(C)c(C3C(C#N)=C(N)Oc4c3c(=O)oc3ccccc43)c2Cl)cc1
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+,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,,CID662170,O=C1CC(N(O)c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1
+,0.0,,,,0.0,,0.0,,0.0,,,,,,,,CID3238757,COc1ccc(CC(=O)N2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1
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+,0.0,,,,,0.0,0.0,,,,,,,,,0.0,CID941555,NC(=O)CSc1nc2ccccc2n1Cc1ccccc1F
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+0.0,,,,,,0.0,,,,,,,,,,,CID666641,Cn1c(=O)c2c(nc(CN3CCc4ccccc4C3)n2Cc2ccc(Cl)cc2)n(C)c1=O
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+,,0.0,0.0,,,,,,,,,,,,,0.0,CID648101,COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(c3c4c(nc5ncnn35)CCC4)CC2)cc1
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+,,,0.0,,,,,,,,,,,,,,CID5309213,CCOc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID764175,CCOC(=O)c1cnc2c(C)c(-c3ccccc3)[nH]n2c1=O
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+,,,,,,,,0.0,,,,,,,0.0,,CID713205,COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)OCCO2
+,,,,,,,0.0,0.0,,,,,,,,,CID665179,Cn1c(=O)c2cn(-c3ccc4c(c3)OCCO4)cc2n(C)c1=O
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+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID2214417,COc1c(C)cc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1
+,,0.0,,0.0,,,,,,,,,,,,0.0,CID2999366,N#Cc1ccc(CSc2nnc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)s2)cc1
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+0.0,,,,,,,,,,,,,,,,,CID659240,COC(=O)Cn1cc(C(=O)OC)cc(Br)c1=O
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+,,,,,,,,,,,0.0,,,0.0,,,CID1254815,O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)NCc1ccc2c(c1)OCO2
+,,,,0.0,,,,0.0,,,,,,,,,CID972838,COC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1C
+,,0.0,,,,,0.0,0.0,,,,,,,,0.0,CID651194,O=C(NCc1ccccc1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCCO1
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+,,,0.0,0.0,,,,,,,,,,,,,CID2954243,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)cc1OC
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+,,,,,,0.0,,,,,,,,0.0,,,CID1245164,COC(=O)c1sccc1NC(=O)c1csc2c1CCCC2
+,,,,,,,,0.0,,,,,,,,,CID864874,Cc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C)cc3)n2)cc1
+0.0,,,,,,,,,,0.0,0.0,,,,,0.0,CID666114,Cc1ccc2cccc(NC(=O)c3ccc(Br)o3)c2n1
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+0.0,,,,0.0,,,,,,,,,,,,,CID657948,CCOC(=O)C(NC(C)=O)(Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1)C(F)(F)F
+,,,,,0.0,,,,,,,,,,,,CID11958500,COc1cccc(Nc2nc(-c3sc(NC(=O)CC(C)C)nc3C)cs2)c1
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+,0.0,,,,,,0.0,,0.0,,,,,,,,CID656164,Nn1c(COc2ccccc2)nnc1SCC(=O)O
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID735173,O=C(NCCC1=CCCCC1)c1cnsn1
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+,,,,,0.0,,,,,,,,,,,,CID718168,COc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1[N+](=O)[O-]
+,,,,,,,,0.0,,,,,,,,,CID9550638,COc1cccc(Nc2nc3ccccc3nc2-n2nc(C)cc2C)c1
+,,,,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID3239690,COc1ccc(OC)c2[nH]c(=O)c(CCNS(=O)(=O)c3ccccc3)cc12
+,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID5307810,COC(=O)c1cc(NC2c3ccccc3C(=O)N2CCN2CCOCC2)cc(C(=O)OC)c1
+,,,,,,,,0.0,,,,,,,,,CID5792239,COC1=CC=C/C(=C\NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C1=O
+,0.0,,,,,,,,,,,,,,0.0,,CID969752,Nn1c(=O)c2ccccc2n2c(SCc3ccccc3)nnc12
+,,,,,0.0,,,,,,,,,,,,CID1374097,Cc1cc2cc(C)c3nnc(SCC(=O)N4CCc5ccccc54)n3c2cc1C
+,,,,,,,,0.0,,,,,,,,0.0,CID890988,O=C(O)c1cccc(COCC(F)(F)C(F)F)c1
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID3241402,Oc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2733707,CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID3238431,Cn1c(=O)cc(OCC(=O)N2CCCc3ccccc32)c2ccccc21
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+,,0.0,,0.0,0.0,,0.0,,,,,,,,,,CID3245353,O=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2
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+,,,,,,,,,,,,,,0.0,,,CID1474920,O=C(Cn1ncc(N2CCOCC2)c(Br)c1=O)c1ccc(Cl)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3196382,COC(=O)c1cccc(N(C(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1
+,,,,,,,,,,,,,,,0.0,,CID3243044,Cc1ccc(CCNC(=O)Cn2cccc2)cc1
+,,,,,,,,,,,,,,,0.0,,CID3243809,Cc1ccc(CS(=O)(=O)Cc2ccc(C(=O)NCc3ccccn3)o2)cc1
+0.0,,,,0.0,,,,0.0,,,,,,,,,CID2998739,O=S(=O)(c1ccc(OCC(O)CN2CCN(c3ccccc3Cl)CC2)cc1)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID764056,CCOc1ccc(/C=N/n2c(SC)nnc(C(C)(C)C)c2=O)cc1
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+,0.0,,0.0,,0.0,0.0,0.0,0.0,,,,0.0,,,,,CID656326,Cc1cc(NC(=O)C(C)C)ncc1NC(=O)Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2475666,CC(=O)Nc1ccccc1OCCOc1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID1345088,COc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,,,,CID1234850,CCC(CC)C(=O)Nc1ccccc1-n1cccc1
+0.0,0.0,,,,,,,,,,,,,,,,CID732495,O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,,CID649504,CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1
+,,,,,0.0,,,,,0.0,,,,,0.0,,CID2603932,O=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1
+,,,,,,,,0.0,,,,,,,,,CID2488127,CCc1cccc2c(C(=O)COC(=O)c3c(C)noc3C)c[nH]c12
+,,,,,,,0.0,,,,,0.0,,,,,CID649800,CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(CC)C(=O)C21
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+,,,,,,,,0.0,0.0,,,,,,,,CID1101285,CC(C)(C)NS(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1
+,,,0.0,0.0,0.0,0.0,,0.0,,,,,,,0.0,,CID44008,CCOC(=O)c1c(NC(=O)CN2CCOCC2)sc2c1CCCC2
+,,0.0,,,,,,,0.0,,,,,,,,CID649376,CCC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCN(c2cc(C)ccc2C)CC1
+,,,,,,,,,,,,0.0,0.0,0.0,,,CID702831,Cc1nn(CC(=O)Nc2ccccn2)c(=O)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID822466,O=S(=O)(c1ccc(Cl)nc1)N1CCCc2ccccc21
+,,,,,,,,,,,,,,,,0.0,CID2999344,Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(S(=O)(=O)NCc4ccco4)cc3)cc2)n1
+,,,,,,,,,,0.0,0.0,,,,,,CID2936542,CCCc1nc2ccccc2n1CCOC
+0.0,,0.0,,,,,,,,,,,,,,,CID2954346,O=C1CC(C(=O)N2CCOCC2)C2(CCCC2)O1
+,,,,0.0,,,,,,,,,,,,,CID718274,c1csc(CSc2nnc3sc4ccccc4n23)c1
+,,,,,,,,,,,,,,0.0,,,CID1602346,COc1ccccc1/C=C/C=N/NC(=O)CCn1nnc2ccccc21
+,,,,,,,,,,,,,,,0.0,,CID5308228,CCOc1ccc(C2CC(c3ccc(CC)cc3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,0.0,,0.0,,,,,,CID3124490,CC1=CC(C)(C)Nc2ccc(OC(=O)CN3C(=O)C4CCCCC4C3=O)cc21
+0.0,,,,,,,,,,,,,,,,,CID2999956,COCCn1c(SCC(=O)Nc2ncc(Cl)c(C)c2Cl)nc2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID1009439,COC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID3238365,CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CNC(CC)CO)cc12
+,,,,,,,0.0,,0.0,,0.0,,,,,,CID649520,COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1
+,0.0,,,,,,,,,0.0,,,,,,,CID2999759,CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(N)(=O)=O)ccc21
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID829610,O=c1c2c3c(sc2ncn1-n1cccc1)CCCCC3
+,,,,,,,,,,,,,,0.0,,,CID681116,Cc1ccc(/C=N/c2ccccc2C(=O)Nc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2832471,COc1ccc(C(CC(=O)c2ccc(C)cc2)Nc2ccc(Cl)cc2)cc1OC
+0.0,0.0,,,0.0,,,,,0.0,,,,,,,,CID665686,CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2c(Cl)cccc2Cl)o1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID1819326,Cc1cccc(C)c1OCCCN1CCCC1
+,,,,,,,,,,,0.0,0.0,,,,,CID663635,C#CCSc1nnc(-c2cccc3ccccc23)o1
+,,,,,,,,,,,0.0,,,,,,CID3138274,O=C(NCC1CCCO1)Nc1ccccc1
+0.0,,,,,,,,,,,,,,,0.0,,CID2973838,CCOC(=O)C1=C(CN2CCOCC2)NC(=O)NC1c1cc(C)ccc1C
+,,,,,,,,,,,0.0,,,,,,CID1790631,Cc1ccccc1C(=O)NNC(=S)NC(=O)COc1ccccc1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2194333,COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1042545,COC(=O)c1ccc(Sc2nnnn2-c2ccccc2)c([N+](=O)[O-])c1
+0.0,0.0,0.0,0.0,,0.0,,,,0.0,,,,,,,,CID2320479,CCN(CC)S(=O)(=O)c1ccc(OCC(=O)NCc2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1488311,CCn1c(-c2ccccc2)ccc(C#N)c1=O
+,,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID2998591,Cc1ccc(O)c(C(=O)c2cc(C#N)c(=O)n(CC3CCCO3)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID2851315,Cc1ccc(C(=O)N2CC(C)OC(C)C2)cc1[N+](=O)[O-]
+,,,,,0.0,,,,,,,,,0.0,,,CID2268655,COc1ccc(C(NC(=O)CC(C)C)NC(=O)CC(C)C)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID3237045,COc1cccc(N2C(=O)Nc3ccccc3C2(O)C(=O)NCc2ccc3c(c2)OCO3)c1
+,,,,,0.0,,,,0.0,,,,,,,,CID652950,COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1OC
+0.0,0.0,,,0.0,,,,0.0,,,0.0,,,,,0.0,CID662885,Cc1c(Cl)cccc1NC(=O)CSc1nnc(CCNC(=O)OC(C)(C)C)o1
+,,,,,,,,,,,0.0,,,0.0,,,CID1244977,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccon1
+,,,,,,,,,,,,,,0.0,,,CID3743550,COc1cccc(-c2[nH]nc3c2C(c2ccsc2)C(C#N)=C(N)O3)c1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,,,CID2083654,Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID2274639,NC(=S)N/N=C/c1ccccc1OCCSc1ccc(Cl)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5308826,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)N1CCCC1
+,,,,,,,0.0,,,,,,,,,,CID4086973,CCOC(=O)N1CCN(C(=O)CS(=O)(=O)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID16193726,CC1CCCN(c2c([N+](=O)[O-])cc(C(=O)O)cc2[N+](=O)[O-])C1
+,,,,,,,,,0.0,,,,,,,,CID4879065,CC(Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)NCc1ccco1
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+,0.0,0.0,,,,,,0.0,,,,,,,,,CID649756,Cc1ccc(C(C(=O)NCc2ccco2)N(Cc2ccco2)C(=O)CNC(=O)c2ccco2)cc1
+,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,0.0,,,,CID665475,O=C(Nc1nnc(C2CCCCC2)s1)c1cccs1
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+,,,,,,,,0.0,,,,,,,,,CID3240739,CCOC(=O)N1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID6620819,CN1CCN(C(=S)c2cn(Cc3ccc(F)cc3)c3ccccc23)CC1
+,,0.0,,0.0,,,,0.0,0.0,,,,,,,0.0,CID3239758,COC(=O)c1ccc2c(=O)n(CCN3CCOCC3)c(SCC(=O)c3ccccc3)nc2c1
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+0.0,,,,0.0,0.0,,,,,,,,,,,0.0,CID3240853,CCOc1ccc(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)cc1OC
+,0.0,,,,,,,,,,,,,0.0,,,CID648229,COc1ccccc1Nc1ccc(C(=O)NC2CCCCC2)cn1
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+,,,,,,,,,,,,0.0,,,,,CID649888,Cc1ccc(C(c2nnnn2CS(=O)(=O)c2ccc(C)cc2)N2CCC(C(N)=O)CC2)cc1
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+,0.0,,,,,,,0.0,,,,,0.0,,,0.0,CID3245142,Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2-n2cnnc2)cc1
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+,,,,,0.0,,,,,,,,,,,,CID3725923,COc1ccc(S(=O)(=O)NNC(=O)C2Cc3c(ccc4ccccc34)O2)cc1
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+,0.0,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID3243139,O=C(CC1S/C(=N\c2ccccc2)N(CCCO)C1=O)Nc1ccc(Cl)cc1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID616554,CC(C)C1N(c2ccccc2)C(N)=C(C#N)C1(C#N)C#N
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+,,,,,,,,0.0,,,,,,,,,CID1265375,COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)S(C)(=O)=O)cc1
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+,0.0,,0.0,,,,,,,,,,,,,,CID4831,CCn1cc(C(=O)O)c(=O)c2cnc(N3CCNCC3)nc21
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID767920,NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
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+,,,,0.0,,,,,,,,,,,,,CID661486,Cc1cccc(N)c1SC1CCCCC1O
+,,,,,0.0,,,,,,,,,,,,CID3130720,COc1ccc(/C=N/NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc1[N+](=O)[O-]
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+0.0,,,,,,,0.0,,,,,,,,0.0,,CID805323,CCOc1ccc(NC2=NC(C)(C)N=C(N)N2)cc1
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+,,,,,,,,,,0.0,,,,,,,CID2527750,Cc1ccccc1NC(=O)CNc1ccccc1N1CCCCC1
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+,,,,,,0.0,0.0,0.0,,,,0.0,,0.0,,,CID668656,O=C1COc2ccc(C(=O)c3ccccc3)cc2CN1
+,,0.0,,,,,0.0,,,,0.0,,,,,0.0,CID3237466,Cc1ccc(CCN2CC(C(=O)NCCCN3CCCCCC3)CC2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2054020,O=C(CSc1ncnc2c1oc1ccccc12)Nc1nc2ccccc2s1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2267437,Cc1ccc(N/C=C/C(=O)c2ccc(C)cc2)cc1
+0.0,,,,,,,,,0.0,,,,,0.0,,0.0,CID646963,CCC(C)(C)NC(=O)C(c1cccn1C)N(C(=O)Cn1nnc2ccccc21)c1ccccc1OC
+,,,,,,,,,,0.0,,,,,0.0,,CID3237329,N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc(OC(=O)N2CCOCC2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID5307247,CCOc1ccc(-c2cc(NC(=O)Cn3ncc4c3-c3ccccc3OC4)on2)cc1OCC
+,,0.0,0.0,,,,,,,,,,,,,,CID659987,CCCOC(=O)CSC1=C(C#N)C(c2ccc3c(c2)OCO3)CC(=O)N1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID1143175,CC(=O)Nc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID5771514,O=c1nc[nH]c2nc(-c3ccccc3)c(-c3ccccc3)nc12
+,,,,,,,,,,0.0,0.0,0.0,0.0,,,,CID866878,O=C(CSc1nnc(-c2ccc3c(c2)OCCO3)o1)N1CCCC1
+,,0.0,,,,0.0,,0.0,,,,,0.0,,,,CID951764,COC(=O)c1cn(CCOc2ccccc2)c2ccccc12
+,,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,CID2999947,NC12CC3CC(C1)CC(CO)(C3)O2
+,,0.0,,,,,,,,,0.0,,,,,0.0,CID2517968,CCn1c(C)nc2cc(-c3nnc(-c4c(-c5ccccc5)noc4C)o3)ccc21
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+,,,,,,0.0,0.0,,,,,,,,,0.0,CID5389078,COC1=CC(=O)/C(=C2\ONC(C)=C2c2ccccc2)C=C1
+,,,0.0,,,0.0,0.0,,,,,,0.0,,,,CID2829724,O=C(CC1Nc2ccccc2NC1=O)Nc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID874253,CCOC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID897112,Cc1ccc(CNC(=O)c2cnccn2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID2999412,CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC(Cc2ccccc2)C1=O
+,,,,,,,,,,,0.0,0.0,,,0.0,0.0,CID623308,COc1ccc(OCC(=O)NCc2cccnc2)cc1
+,0.0,,0.0,,,,,,,,,,0.0,,,,CID202725,O=C(Nc1cccnc1)c1cccnc1
+,,,,,,,0.0,,0.0,,0.0,0.0,,,,,CID666060,CC1(C)CC(=O)c2cn3c(nc2C1)nc1ccccc13
+,,,,,0.0,,,,,,,,,,,,CID9550462,O=C(Cc1ccc(-n2c(=O)c3sccc3n(Cc3ccc(F)cc3)c2=O)cc1)NCc1ccco1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID851469,O=C(Nc1ccc(CN2CCOCC2)cc1)c1cccc(F)c1
+0.0,,,0.0,,,,0.0,,,,,,,0.0,,,CID3154442,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)Nc2ccccc2)c(OC)c1
+,,,,,,0.0,,,,,0.0,,,,,,CID3236653,O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(O)C1
+,,,,,,,,,,0.0,,,,,,,CID2124546,CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID5310584,O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID4376399,CCc1nnc(NC(=O)c2ccc(-c3ccccc3F)o2)s1
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,,CID828950,N#CCn1nnc(-c2ccc3c(c2)OCO3)n1
+,,0.0,,0.0,,,0.0,0.0,0.0,,,,,,,,CID661554,CCOC(=O)CSC1=C(C#N)C(c2ccc(OC)cc2)C2=C(CC(C)(C)CC2=O)N1
+0.0,0.0,,,,,,0.0,,,0.0,,,,,,,CID660230,CC(C)C1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1
+,,,,,0.0,,,,,,,,,,,,CID4053114,CC(=O)c1ccc2cccc3c2c1ncn3C
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID69030,Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1
+,0.0,,,,,,0.0,,,,,0.0,0.0,,,,CID667316,COc1ccc(-c2noc(CCCC(=O)O)n2)cc1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID5309743,COc1cc(NC(=O)C2CCCN2C(=O)C2CCC(C)CC2)cc(OC)c1OC
+,,0.0,,,,0.0,0.0,,,,,,0.0,,0.0,,CID3245682,CCOC(=O)C1C2NC(=O)N(Cc3ccccc3)C1(C)Oc1c(OC)cccc12
+,,,,,,,,,,,0.0,,,,0.0,,CID5307235,COc1cccc(C2CC(c3ccccc3OC)N3NC(N)=NC3=N2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID2931752,O=C(O)C1C2C=CC(O2)C1C(=O)NCCC1=CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID853253,c1ccc(-c2cc3c(N4CCCCC4)ncnc3s2)cc1
+,,0.0,,,,,,0.0,,,,,,,,,CID3240356,COC(=O)c1ccc2c(=O)n(CCCCCC(=O)N3CCN(c4ccccc4)CC3)c(=O)[nH]c2c1
+,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,CID3236935,COc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)cc1
+,,0.0,,,,,,,0.0,,,,,,0.0,0.0,CID2998312,CN(C(=O)COC(=O)c1ccccc1Nc1ccccc1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID5307813,CCOC(=O)N1CCN(C(=O)c2cc(C)no2)CC1
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,,CID2981431,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID5423869,COC1=CC(=O)/C(=C2\NNC(C)=C2c2ccc(Cl)cc2)C=C1
+,,,,0.0,,0.0,,,,0.0,,,,,,0.0,CID648647,COc1ccc(S(=O)(=O)NCC(=O)N(CC(=O)NCC2CCCO2)c2ccccc2C)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1472595,O=C(NNS(=O)(=O)c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2925582,COC(=O)C1(C#N)C(c2ccccc2)C1(C(=O)OC)C(=O)OC
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID662616,CC(C)(C)OC(=O)NC(Cc1c[nH]c2ccccc12)c1nnc(SCC(N)=O)o1
+,,,,,,,,,,,,,0.0,,,,CID2423962,S=c1[nH]nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID5349498,Cc1ccc(C(=O)N/C(=C\c2sccc2C)C(=O)NCc2ccco2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2890260,C=C(C)c1cccc(C(C)(C)NC(=O)NC2CN3CCC2CC3)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID5109405,O=C(Nc1nnc(-c2ccc(Cl)s2)o1)C1CCCCC1
+0.0,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,,,,0.0,CID664923,N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,0.0,,,,CID2165997,CN(C(=O)c1cccc(COc2ccc(Cl)cc2Cl)c1)c1ccccc1
+,,,,,,,,,0.0,,,,,0.0,,,CID647311,CCOc1ccc2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)N3CCN(CC)CC3)cc2c1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,CID2951775,CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(Cc2ccccc2)CC1
+,,,,0.0,0.0,,,,,,,,,0.0,,,CID2998611,COc1ccccc1-n1c(SCC(=O)N(C)C2CCS(=O)(=O)C2)nc2ccccc2c1=O
+,,,,,,,,,0.0,,,,,,,,CID655145,COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)C3CC3)n2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID2243516,CCOC(=O)c1cnc(SCC(=O)N2CCN(c3ccccc3)CC2)nc1N
+,,,,,,,,,,,,,0.0,,,,CID1871747,Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ncc(Cc4ccccc4Cl)s3)C2=O)cc1
+,,,0.0,,,,,0.0,,,,0.0,,,,0.0,CID959487,CCOC(=O)c1c(C)[nH]c(NC(=O)N2CCOCC2)c1C
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+,,,,0.0,,,0.0,,,,,,,,,0.0,CID1252359,CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCOCC1)c1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,0.0,,CID3245001,O=C(CSc1nc(O)c(C2CCCCC2)c(=O)[nH]1)NCC1CCCO1
+,,,,,,,,,0.0,,,,,,,,CID1224278,CN(C)CC/C=C1/c2ccccc2Sc2c(O)cc(Cl)cc21
+,0.0,,,,,,0.0,,,,,,,,,,CID3246751,Cc1cc2c(nn1)CCc1nonc1-2
+,,,,,,,0.0,,,,,,,,,0.0,CID3238159,O=C(O)C1C2C=CC(C2)C1C(=O)NCc1ccoc1
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+,,,,,,,0.0,0.0,,0.0,,,,,,,CID652212,O=C(Cc1cccs1)Nc1ccccc1C(=O)O
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID1263322,CC(C)Oc1nnnn1-c1ccccc1
+0.0,,0.0,,,,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,CID647999,O=C(CN(C(=O)CCNC(=O)c1ccco1)c1ccccc1)NC1CCCC1
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+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3243903,CCOc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(S(=O)(=O)CCO)c2)c1
+,,,,,,,,,,,,,,0.0,,,CID1695874,N#CCOc1ccc2oc(-c3ccco3)cc(=O)c2c1
+,,,,,,,,,,,0.0,,,0.0,,,CID772793,Fc1ccccc1Cn1nnc(-c2ccc3c(c2)OCO3)n1
+,0.0,,0.0,0.0,,,,0.0,0.0,,0.0,,,,,0.0,CID1248857,Cn1c(SCC(=O)Nc2ccc3cn[nH]c3c2)nnc1-c1cccs1
+,1.0,,,,,0.0,,,,,0.0,0.0,,0.0,0.0,,CID648322,O=C(CSc1n[nH]c(-c2ccncc2)n1)c1ccccc1
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+,,,0.0,,,,,,,,,,,,,,CID3242101,CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(F)c1
+,,,,,,,,,,,,0.0,,,,,CID1116265,CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
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+,,,,,,,,,,,0.0,,,,,,CID2077864,Cc1ccc(O)c(C(=O)c2cnc3c(c2)CN(C)C(=O)N3)c1
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID2929353,CC(=O)Nc1ccc(S(=O)(=O)NC2=NCN(CCOC(=O)c3ccccc3)CN2)cc1
+,,,,,,,,,,,,,0.0,,,,CID972471,CC(=O)c1cc(C#N)c(SCC(=O)Nc2nccs2)nc1C
+,,,,,,,,,,,,0.0,,,,,CID658230,COc1cccc(Cn2c(OCC3CCCO3)nc3c2c(=O)n(C)c(=O)n3C)c1
+0.0,,,,,0.0,,,,,,,,,,,,CID5307234,CCn1c(C(=O)N2CCC(C(=O)NCc3cccs3)CC2)cc2sccc21
+,,,,,,,,,,,,0.0,,,0.0,,CID707260,O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1CCOCC1
+,0.0,,,0.0,,,,,,,,,,,,,CID663032,Cc1cc(C)nc(NC(=O)CSc2nn(C)c(=S)s2)n1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID694901,O=C1c2ccccc2C(=O)C1c1ccncc1
+,,,,,,,,0.0,,,,,,,,,CID1157314,COc1ccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2763947,N#Cc1ccccc1Oc1ccccc1C=O
+0.0,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,,CID665834,Cc1cc(C)n(-c2nc(SCC(=O)N3CCCC3)c3c4c(sc3n2)CCCC4)n1
+,,,,,,,0.0,,,,0.0,,,,,,CID970098,O=C(COc1ccc(C(=S)N2CCOCC2)cc1)N1CCCC1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID3244584,Cc1ccc(C)c(N2CCN(C(=O)COc3cc(=O)n(C)c4ccccc34)CC2)c1
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+,,,,,,,,,0.0,,,,,,,,CID2902976,CCOC(=O)N1CCN(CCC(=O)Nc2ccc(OC)cc2OC)CC1
+,,0.0,,0.0,,0.0,,,,,,,,,,0.0,CID648591,O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1
+,,,,,,,,,,,0.0,,,,,0.0,CID2349772,O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,0.0,,,,CID4664941,O=C1OCc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21
+,,,,0.0,,,,,,0.0,,,,,,,CID663502,COc1ccc(OC)c(C2=Nn3c(nnc3-c3ccncc3)SC2)c1
+,,,,,,,,,,,,,0.0,,,,CID3096992,O=C(O)CCNC1C=CS(=O)(=O)C1
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+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID2963176,Cc1ccc(N2CC(C(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)CC2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID1098643,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCc1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID674162,Cc1ccc(OCCn2cc(Br)c(=O)[nH]c2=O)cc1
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID3244877,O=C(CN1CCN(CCOCCO)CC1)N1c2ccccc2Sc2ccc(Cl)cc21
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+,,,,,0.0,,,,,,,,,,,,CID1957232,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)cc1
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+,,,0.0,,,,,,,,,,,,,0.0,CID3240451,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCCC2=CCCCC2)C1
+,,,,,,,,,,,0.0,,,,,,CID684664,N#Cc1c(N)nc(N2CCCC2)c(C#N)c1-c1ccccc1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1258762,O=C(NC1CCCCC1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,0.0,,,,,,,CID5172669,CCCCNC(=S)NNC(=O)c1csc(C)c1
+0.0,0.0,,,,,,,,,,0.0,,,,,0.0,CID3238599,Cn1c(=O)c2c(nc(NC3CCCCC3)n2CC(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1=O
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID2961371,Cn1c(SCC(=O)Nc2ccc(N3CCOCC3)c(Cl)c2)nnc1C(O)c1ccccc1
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2978346,O=C(CSc1nnnn1-c1ccccc1)Nc1ncc2c(n1)CC(c1ccco1)CC2=O
+,,,,,0.0,,,0.0,,,,,,,,0.0,CID3243116,CCN(CCCNC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)c1cccc(C)c1
+,,,,,,,,,,,0.0,,,,,,CID1333106,CCOC(=O)c1cc2c(C)n(-c3ccc(OCC)cc3)c(C)c2ccc1=O
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID645150,COc1ccc(OC)c(N(CC(=O)Nc2ccccc2)S(C)(=O)=O)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID5309941,CCn1cc(C(=O)N2CCCC2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+0.0,,0.0,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID879683,Cc1onc(C(=O)N2CCC(C(N)=O)CC2)c1-c1ccccc1Cl
+0.0,0.0,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID662240,Cc1ccc(NC(=O)CSc2nnc(-c3cnccn3)n2Cc2ccco2)cc1C
+,,,,,0.0,,,,,,,,,,,,CID1773219,COc1ccc(CNC(=O)CSc2nc(-c3ccccc3)cc(-c3cccs3)c2C#N)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID655157,COc1ccccc1CNc1ncnc2c1nnn2Cc1ccccc1
+,,,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID3238006,O=C(Nc1ccc2c(c1)OCCO2)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
+,,,,,,,,,,,,0.0,,,,,CID645450,CN1CCN(c2ccc(N)c(N3CCN(C)CC3)c2)CC1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID768098,Brc1ccc(-c2ncc(-c3ccccc3)cn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID9551183,CCOCCCNC(=O)C(NC(=O)CNC(=O)c1ccccc1)c1ccc(C)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID647687,Nn1c(SCC(=O)NC2CCCCC2)nnc1-c1ccccc1
+,0.0,,0.0,,,,,,,,,,,,,,CID666424,CN1CCN(Cc2nc(N)nc(Nc3ccc4c(c3)OCCO4)n2)CC1
+,,,,0.0,,,,,,,,,,,0.0,,CID3245962,COc1ccc(N2CCN(CCNS(=O)(=O)c3cccc4nsnc34)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID4681472,CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID3150902,CC1(C)CC2CC(C)(CN2S(=O)(=O)c2ccc(N)cc2)C1
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID2853983,CN(C)C(=O)c1c(NC(=O)c2ccco2)sc2c1CCCCC2
+,,,,,,,,,,,,,0.0,,,,CID6616230,COc1ccc(C(=O)Nn2c(SCC(=O)N3CCC(C)CC3)nc3ccccc3c2=O)cc1
+,,,,,0.0,,0.0,,,0.0,,,,,,,CID5742469,CN1/C(=C\C(=O)COC(=O)CN2C(=O)C3CC=CCC3C2=O)C(C)(C)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2213542,COc1ccc(CSCC(=O)NCCC(C)C)cc1
+,,,,,,,,0.0,,,,,,,,,CID2167889,CCn1ncc(Br)c1C(=O)Nc1ccccc1C(=O)OC
+,,,,0.0,,,,,,,,,,,,0.0,CID654111,CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccc(Cl)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2910626,Cc1ccc(NC(=O)C2COc3ccccc3O2)nc1
+,0.0,,,,,0.0,0.0,,0.0,,,,0.0,,0.0,,CID648051,CCOC(=O)c1cc2sccc2n1CC(=O)c1ccc2c(c1)OCCO2
+0.0,,,,0.0,,,,,,,,,,,,,CID660133,COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(OC)c1OC
+,,,,,,,,,,,0.0,,,,,,CID5415835,O=C1NC(=S)N(Cc2ccco2)C(=O)/C1=C\NCc1cccs1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,,0.0,0.0,0.0,CID2097136,O=C(c1n[nH]c(=O)c2ccccc12)N1CCN(c2ccccc2Cl)CC1
+,,,,,,,,,,,0.0,,,,,,CID3156763,CCOc1ccccc1NC(=O)C(=O)NCC1CCCN1CC
+,,0.0,,,,,,,,,,,,,,0.0,CID2986547,COC(=O)C1C(=O)c2c([nH]c(C(=O)OC3CCCC3C)c2C)CC1C
+,,0.0,,,,,,,,,,,,,0.0,,CID2673208,COC(=O)c1ccc(C)c(NC(=O)Cc2coc3cc(OC)ccc23)c1
+,,,,,,,,,,,0.0,,,,,0.0,CID665753,Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2224665,Cc1cccc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2)c1
+,,,0.0,,,,0.0,0.0,,,0.0,,,,,,CID3239963,CCOC(=O)c1[nH]cc(-c2ccccc2)c1N1CCOCC1
+,,,,,,,,0.0,,,,,,,,,CID3244883,CCN(CC)CCNC(=O)CCCCn1c(=S)[nH]c2c([nH]c3ccc(OC)cc32)c1=O
+,,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID2922194,COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID3240953,O=C(CCNS(=O)(=O)c1cccs1)NCc1cccs1
+,,,,,0.0,,,,,,0.0,,,,,,CID9550780,Cc1cc(C(=O)NCCCN2CC(C)CC(C)C2)n(-c2ccccc2)n1
+0.0,0.0,,,,,,0.0,,,,0.0,0.0,0.0,,,,CID650107,Cc1cc(C)cc(OCC(=O)NCCN2CCOCC2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID658926,COC(=O)c1c(C)noc1-c1cc(C)on1
+,,,,,,,,,,,,,,0.0,,,CID6415561,Cc1cccc(Nc2ccc(NCc3ccccc3)nn2)c1
+,,,,,,,0.0,,0.0,,,,,,,,CID648896,COCc1[nH]nc2c1C(c1ccccc1F)C(C#N)=C(N)O2
+0.0,,,,,,,,0.0,0.0,,0.0,0.0,,,,,CID645520,O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc2c(c1)OCCO2
+,,0.0,,,,,,,,,,,,,,,CID646910,COC(=O)C1(CCSC)NC(c2ccco2)C2C(=O)N(C)C(=O)C21
+,,,,,,,,0.0,,,,,,0.0,,,CID2125103,Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,,,CID2191502,CSCCNC(=O)c1ccc(C(C)(C)C)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID720475,CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2=O
+,,,,,,,,,,,0.0,,,,,,CID3216684,Cc1cccc(N(C(=O)CCC(=O)Nc2cccnc2)C(C(=O)NC2CCCC2)c2ccncc2)c1
+,,,,,,,,,,,,,,0.0,,,CID3127341,COc1ccccc1NC(=O)C(=O)NNC(=O)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID774017,O=C(Nc1ccc(Br)cn1)c1ccc([N+](=O)[O-])o1
+,,,,,,,,,,,,,0.0,,,,CID757866,Cc1cc(C)n(C(=O)c2ccccc2[N+](=O)[O-])n1
+,,,,,,,,0.0,,,,,,,,,CID2206685,O=C(CN1C(=O)C(=O)c2ccccc21)NC1CCCCC1
+,,,,,,,,,,0.0,,,,,,,CID790865,Cc1ccccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2962064,CC(=O)Nc1ccc(OCC(O)CN2CCN(Cc3ccccc3)CC2)cc1
+,,,0.0,,0.0,,,,,,,,0.0,,,,CID658988,CN1CCN(CCCCOc2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID136951,COc1ccc(NC(=O)Nc2ccc(OC)cc2)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2946375,CCOC(=O)C(C)Sc1nc2ccccc2c(=O)n1CC
+,,0.0,,0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,,CID2937278,COCCOC(=O)C1=C(C)N(Cc2ccccc2)C(=O)NC1c1cccc(OC)c1OC
+,,,,,,,,,,,,,,,0.0,0.0,CID5308266,COc1ccc(NC(=O)c2nnn(Cc3ccc(SC)cc3)c2N)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1085916,O=C(CCSc1ccc(Cl)cc1)NCc1ccccn1
+,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID649176,O=C(CSc1nnnn1C1CCCC1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2444838,CCOC(=O)C(=O)c1csc(NC(=O)CCSc2ccc(C)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID1594466,Cc1ccc(N2C(=O)/C(=C/c3cccs3)SC2=S)cc1C
+,,,,,,,,,0.0,,0.0,,,,,,CID3155755,O=C1NC(=O)C(Nc2cccc3ccccc23)S1
+,,,,,0.0,0.0,0.0,,,0.0,,,,,,,CID5389737,C=C(C)COC1=CC(=O)/C(=C2/NNC=C2c2ccccc2OC)C=C1
+0.0,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID685437,Cc1cc(C)c(S(=O)(=O)Nc2nnc(C)s2)c(C)c1
+,,,,,,,,0.0,,,,,,,,,CID1637858,COc1ccc(OCCCC(=O)Oc2ccc(OC)cc2)cc1
+0.0,,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,CID894481,COC(=O)c1ccc(COC(=O)c2ccc(N(C)C)cc2)cc1
+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,,CID720052,CCN(CC)c1ccc(NC(=O)c2cncc(Br)c2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1034260,COc1cccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID219131,Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1
+,,,,0.0,0.0,,,,,,0.0,0.0,,,,,CID1084980,COc1cc2c(cc1OC)C1=C(C#N)CN(C3CCCCC3)CN1CC2
+,,,,,,,,,,,,,,0.0,,,CID1477880,Cc1nc2c(Cl)c(C)nn2c2c1CCC2
+0.0,,0.0,,,,,,,0.0,,,0.0,,,,0.0,CID661981,Cc1nn(CC(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID99760,O=C(Nc1ccccn1)NC1CCCCC1
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+0.0,,,,,,,,,,0.0,,0.0,,,0.0,,CID655486,CCC(C)(C)n1nnnc1C(c1ccc(O)c(OC)c1)N1CCN(c2nc3ccccc3s2)CC1
+,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,,,,CID3238031,CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cc(C)ccc1C
+,,,,,,,,,,,,,0.0,,,,CID658452,CCCN1CCN(c2nc3c(N)ncn(CC(O)CO)c-3n2)CC1
+,,,,,0.0,,,,,,,,,,,,CID5349551,O=C1C(=O)N(c2nncs2)C(c2ccc(F)cc2)/C1=C(\O)c1ccccc1
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+,,,,,,,,,,,,,,0.0,,,CID2915477,COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1
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+,0.0,,,,,,,,,,,,,,0.0,,CID5308905,O=C(CCc1nc2ccccc2[nH]1)NC1CCCCC1
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+,0.0,0.0,0.0,,,,,0.0,,,,,,,,,CID651125,CCC(C)(C)NC(=O)CN(CC1CCCO1)C(=O)CCC(=O)Nc1nccs1
+,,,,,,,,0.0,,0.0,,,,,,,CID1383782,Cc1ccc(CNCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1288057,Cc1ccc(-c2nn(-c3ccccc3)cc2CN(Cc2ccccc2)C(=O)c2ccco2)o1
+,,,0.0,0.0,,0.0,,,,,,,,,0.0,0.0,CID1245751,CSc1ccccc1NC(=O)c1ccc(C)o1
+,,,,0.0,,,,,0.0,0.0,,,,,,,CID300571,Cc1ccc(C2NC(=O)c3ccccc3N2)s1
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+,,0.0,,,,0.0,,,,0.0,,,,0.0,0.0,0.0,CID762206,CCn1c(Cc2ccccc2)nnc1SCC(=O)O
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+,,,,,0.0,,,,,,,,,,,,CID1825680,COc1ccc(OCCOCCN2CCc3ccccc3C2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID893585,CCc1ccc(OCC(=O)NCc2ccco2)c(Br)c1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID3243249,O=C(CCCCn1c(=O)c2ccccc2n(CC(=O)Nc2ccccc2)c1=O)NCc1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1076909,CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)cc1
+,,,,,,,,,,,,,,,0.0,,CID5309078,COc1ccc(C2CC(c3ccc(Cl)cc3Cl)N3NC(N)=NC3=N2)cc1
+,,,,,,,,0.0,,,,,,,,,CID1971867,COCc1cc(=O)n2[nH]c(C(F)(F)F)nc2n1
+0.0,,,,0.0,,,,,,0.0,,,,,,0.0,CID2193358,O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(N2CCOCC2)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID789755,O=C(CSc1ccc(Cl)cc1)NCc1ccncc1
+,,,,,,,,,,0.0,0.0,,,,,,CID2952037,CC(=O)C(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
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+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID2948635,O=C1OCCC1Sc1nc2ccccc2n1Cc1ccccc1
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+0.0,0.0,,,,,,,,,,,0.0,,,,,CID5307577,CSc1ccccc1NC(=O)c1onc(C)c1Cl
+,,,,,,,,,0.0,0.0,,,,,,,CID1266440,O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1F
+,,,0.0,,,,,,0.0,,,,,,0.0,,CID1314338,CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1
+0.0,0.0,0.0,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,CID2570212,CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nnc1-c1cccs1
+,,,,,0.0,,,,,,,,,,,,CID979381,COc1ccc(C(=O)Nc2c(-c3ccccc3)nc3ccc(C)cn23)cc1
+,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,,,,CID727357,CC1(C)CC(=O)C/C(=N/c2ccc3[nH]c(=O)[nH]c3c2)C1
+,,,,,,,,,,,0.0,,,,,,CID547482,CC12CN3CCN(C1)CC(C)(C3)C2=NO
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID832832,O=C(O)/C(=C1\OC(=O)c2ccccc21)c1ccccc1
+,,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,CID3241833,O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCC3COc4ccccc4O3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID5345854,COC(=O)c1ccc(N/C=C\C(=O)c2ccc3c(c2)OCO3)cc1
+,,,,,0.0,0.0,0.0,,,,,,,0.0,,,CID664921,CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1
+,,,,,,,,,,,,,0.0,,,,CID753314,Cc1ccc(NC(=O)Cn2c([N+](=O)[O-])cnc2C)cc1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID667395,O=S(=O)(c1ccc2c(c1)nc1n2CCC1)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID2552802,CN1CCc2nc(NC(=O)c3cccc(OC(F)F)c3)sc2C1
+0.0,,,,,0.0,0.0,,,0.0,,,,,,0.0,,CID2330618,CNc1ccccc1C(C)(C)c1cc(-c2ccco2)n[nH]1
+,,,,,,,0.0,,,,,0.0,,,,,CID3236460,Cc1cccc(NC(=O)C2CC(O)CN2C(=O)OCc2ccccc2)c1
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID3240614,COC(=O)c1cccc(C(=O)Nc2ccc(C)cc2Br)n1
+,,,0.0,,,,,,0.0,,,,,,,,CID2837025,CCC(C)NC(=O)c1ccccc1C(=O)NC(C)CC
+,,,0.0,,,,,,,,0.0,,,,,,CID652589,CCC(C)Nc1nc2c(c(=O)[nH]c(=O)n2C)n1CCC(C)C
+,,,,,,,,0.0,,,,,,,,,CID992670,Cc1c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C
+,,,0.0,,,0.0,,,,0.0,,,,,,,CID645379,Cc1ccccc1OCC1CN(CN2CCOCC2)C(=O)O1
+,,,,,,,,,,,,,,0.0,,,CID2443473,CCC(C)(C)NC(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O
+,0.0,,,0.0,,0.0,,0.0,,,,0.0,,,0.0,,CID667278,COc1ccc(S(=O)(=O)Nc2c(C(=O)O)[nH]c3ccccc23)c(OC)c1
+,,,,0.0,0.0,,,,,,,,,,,,CID3245324,Cc1nc2c(ccc3nc(NC(=O)c4ccc(S(=O)(=O)N(C)C)cc4)sc32)s1
+,0.0,,0.0,,,,0.0,,,,,0.0,,,,,CID2988541,CCCCn1c(CN2CCOCC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID738018,CN(C)C(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID844885,O=C(NCN1CCN(c2ccccc2F)CC1)c1cccnc1
+,,0.0,,,,,,,,,0.0,0.0,,,,,CID3239594,CCOC(=O)N1CCC(NC(=O)C2CCN(c3ccc(N4CCOCC4)nn3)CC2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2832292,CC(C)(C)C(=O)NCC12C=CC(O1)C1C(=O)N(c3ccccc3)C(=O)C12
+,,,,,,,,,,,,,0.0,,,,CID612977,O=C1CCCc2c1[nH]c1ccc(Cl)cc21
+,0.0,,,0.0,,,,,,,,,,,,,CID2560138,c1ccn2c(CNc3ncnc4sccc34)nnc2c1
+0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,,,CID756747,COc1ccccc1-n1c(SCC(N)=O)nc2c(c1=O)SCC2
+,,,,,,0.0,0.0,,,,0.0,,,,0.0,,CID647723,Cc1cc(=O)nc2[nH][nH]c(-c3ccccc3)c1-2
+,,,,,,,,,,,,,,,,0.0,CID5389172,CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12
+,,,,,0.0,0.0,,0.0,,0.0,,,,,,,CID648685,O=C(Nc1ccc2c3c(cccc13)CC2)c1ccco1
+0.0,0.0,,,,,,,,,,,,,0.0,,,CID5308841,Cn1cccc1Cc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccc(F)cc1
+0.0,0.0,,,,0.0,0.0,,,,,,,,,,,CID661601,CCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1N1CCCCC1
+,,0.0,,,,,0.0,,,,,,,,,,CID3242195,O=C(c1ccccc1)N1CC(COc2ccccc2)OC(c2ccco2)O1
+,,,,,,,,,,,,,,0.0,,,CID4555368,CCCC1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C1=O
+,0.0,,,,,,,,,,,0.0,,,,,CID2897391,O=S(=O)(NC1CC2CCC1C2)c1ccc2c(c1)OCCO2
+,,,,0.0,,,,,,,,,,,,0.0,CID3241744,CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CNC(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1005079,Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,,,0.0,0.0,0.0,,,,,,,,,CID2999481,CC(OC(=O)c1cccs1)C(=O)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,0.0,,,,,CID653797,COCCN(C(=O)CCCC(=O)Nc1ccccn1)C(C(=O)NC1CCCCC1)c1ccc(C)cc1
+,,,,,,,,,,,,,,0.0,,,CID4690281,COc1ccccc1CNC(=O)C1CCN(C(=O)N(C)C)CC1
+,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID649102,Cc1ccnc(N2CCC(C(=O)Nc3nnc(C)s3)CC2)n1
+,,,,,,,,0.0,0.0,0.0,,0.0,,0.0,,,CID2141781,Cc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21
+,,,0.0,,,,,,,,,0.0,,,0.0,,CID2957994,Cc1ccc(S(=O)(=O)N2C(=O)CCC2C(=O)NCc2ccco2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID3125779,CCOC(=O)C1=c2s/c(=C\c3cccnc3)c(=O)n2C(N)=C(C(=O)OC)C1c1cccnc1
+,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,,CID2202139,Cc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2ccncc2)cc1
+,,0.0,,,,,,,,,,,,,,,CID5307869,CCC(C)NC(=O)CS(=O)Cc1nc(-c2cccc(C)c2)oc1C
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID4119232,CCCC(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID1287871,CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID652463,COCCn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
+,,0.0,,,,,,,,,,,,,,0.0,CID5739139,CCOC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCCN(CC)CC)C2c2cccnc2)c1C
+,,,,,0.0,,,,,,,,,,,,CID2851300,Cc1nnsc1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,0.0,,,,,,CID3155476,CCc1ccc2c(c1)C1(SC(NC(C)=O)=NN1C(C)=O)C(=O)N2C(C)C
+,,,,0.0,,,,,,,,,,,,0.0,CID89966,Nc1nsc2ccccc12
+,,0.0,,,,,,0.0,,,,,,,,,CID2963192,Cc1ccc(N2CC(C(=O)N3CCN(C(=O)c4ccco4)CC3)CC2=O)cc1
+,0.0,0.0,,,,0.0,,,,0.0,0.0,,,,,0.0,CID2153913,COc1ccc(Cc2n[nH]c(Nc3ccc(C)cc3C)nc2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID2533210,Cc1cccc(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])c1C
+,0.0,,,,,,,,,,,,,,,,CID2214282,C=CCOc1ccccc1CNn1nnnc1N
+,,,,,,,,,,,,,0.0,,,,CID900926,O=C(c1ccco1)c1coc2c1cc(O)c1ccccc12
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID1294157,C=CCN(c1ccc(C(=O)NCCc2ccccc2)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID799959,S=C(NCCc1ccccc1)Nc1ccccn1
+0.0,0.0,,0.0,,0.0,,0.0,,,,,,,,,0.0,CID2192345,CCOc1ccc(-c2nc(C#N)c(N3CCN(Cc4ccccc4)CC3)o2)cc1
+0.0,,,,0.0,,0.0,,,,,,,,,,0.0,CID3241938,O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1cc(F)ccc1F
+,,,,,,,0.0,,,,0.0,,,,,,CID647264,O=C(CCC1CCCCC1)Nc1c[nH]c(=O)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID2292515,CCCCC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O
+,,0.0,,0.0,,0.0,0.0,,,,0.0,,,,,0.0,CID1917290,CS/C(Nc1ccccc1)=C1/C(=O)COC1=O
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID805899,Cc1c(O)ccc(C(=O)COc2ccccc2F)c1O
+,,,,,,,,,,,,,0.0,,,,CID2283424,COc1cc(C)ccc1OCCCOc1ccccc1Cl
+0.0,,0.0,,,,,0.0,,,,,,,,,,CID791111,Cc1ccc(Nc2cc(-n3nc(C)cc3C)ncn2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2231055,O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCc1ccccn1
+0.0,0.0,,0.0,0.0,0.0,,,,,0.0,,0.0,,,,,CID3242283,Cc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1205929,CCOc1cc(/C=C2/SC(=S)N(C)C2=O)ccc1OC(=O)c1ccc(C)cc1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID1314825,COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc(Cl)cn4)c3)CC2)cc1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,,CID647413,CN(C)S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1
+,,,,,,0.0,0.0,,,,,0.0,0.0,0.0,0.0,0.0,CID2161248,CCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1
+,,,,,,,,,,,,,,0.0,,,CID5749834,O=C1C=Cc2ccccc2/C1=C/Nc1nccs1
+,,,,,0.0,,,,,,,,,,,,CID2891646,CC(=O)c1cccc(N2C(=O)C3C4c5ccccc5C(C(C)=O)(c5ccccc54)C3C2=O)c1
+,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,CID3238214,CCOC(=O)c1ccc(NCc2ccc3c(c2)OCO3)cc1
+,,0.0,,,,,,,,,,,,,,,CID2535682,Cc1noc(C)c1C(=O)OCC(=O)c1ccc[nH]1
+0.0,,,,,,,0.0,,,0.0,,0.0,,,,,CID1521366,CCc1ccc(N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
+,,,0.0,0.0,,,,,,,,,0.0,,,,CID2889434,CC(SCc1ccccc1)C(=O)NC1CCCC1
+,,,,0.0,,,,,,,,0.0,,,,,CID2297167,C=CCSC1=N/C(=C\c2ccc(C)o2)C(=O)S1
+,,,,,,,,,,,,,0.0,,,,CID2236999,CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID976346,COC(=O)CSc1cc(C)nc(SC)n1
+,,,,,,0.0,,,,,,,,,,,CID626392,CCCC(=C1C(=O)CC(CC(C)SCC)CC1=O)N1CCCC1
+0.0,0.0,,,0.0,0.0,,,0.0,0.0,0.0,,,,,,0.0,CID3239169,O=C(CCCNS(=O)(=O)c1cccc2nsnc12)NCCc1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID3632372,Cc1[nH]c2c(C)cccc2c1CCNC(=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID1517734,COc1cc(-c2nc(-c3ccc(Br)o3)no2)cc(OC)c1OC
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+,0.0,0.0,,,,,,,,,,0.0,,,,,CID644598,O=C(CCC1CCCC1)N1CCN(C(=O)c2cccnc2)CC1
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID661381,Cn1c(=O)c2c(nc(SCCCO)n2Cc2ccccc2Cl)n(C)c1=O
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+,,0.0,,,,,0.0,,,,,,,,,,CID5307168,CCOC(=O)N1CCN(c2c(N3CC=C(c4ccccc4)CC3)c(=O)c2=O)CC1
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+,,,,0.0,,,,,,,,,,,,,CID2224601,COCc1cc(C)nc2sc(C(=O)OC(C)C)c(N)c12
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+,0.0,,,,,0.0,,,0.0,,,,,,,0.0,CID2148456,COc1ccc(Cl)cc1C(=O)Nc1cc(=O)n(C)c(=O)n1C
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+,0.0,0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,CID2973529,COC(=O)c1ccccc1NC(=O)CSc1nnc(C(CO)NC(=O)c2ccccc2)n1C
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+,,,,,,,,,,,,,,0.0,,,CID2642093,COc1cc2c(cc1NC(=O)COC(=O)c1ccccc1)oc1ccccc12
+,0.0,,,,,,,,,,,,,,,,CID2314690,COC(=O)c1nc(NC(=O)C(C)(C)C)n[nH]1
+,0.0,,,,0.0,,,,,,,,,,,,CID3240158,CC(C)(C)n1ncc2c(=O)n(CC(=O)N3CCc4ccccc43)cnc21
+,,,,,0.0,,,,,,,,,,,,CID2961024,CCOc1ccc(NC(=O)C(C)Oc2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1448188,O=C(NC1CCCC1)C1CCN(c2nccs2)CC1
+,,,,,,,,,,,,,,,,0.0,CID648688,Cc1ccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,,CID652436,CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)s2)cc1
+,,0.0,,,,,,,,,,0.0,,0.0,0.0,,CID5309962,O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID2060987,COC(=O)c1nnn(-c2nonc2N)c1CSc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID9550284,COc1cc(OC)cc(-c2cc3nc(C4CCN(C(=O)OC(C)(C)C)CC4)cc(=O)n3[nH]2)c1
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+,,,,,,,,,,,,,,0.0,,,CID983426,COc1ccc(Br)cc1S(=O)(=O)NNC(=O)c1c(C)nc2ccccn12
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+,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,,CID652831,Cc1ccc(C)c(Cn2[nH]nc3c(=O)nc(C4CCCN(C(=O)CC(C)C)C4)nc2-3)c1
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+0.0,0.0,0.0,,,,,,,,,,,,0.0,,0.0,CID1294981,COc1cccc(NC(=O)N2CCN(c3cccc(C)c3C)CC2)c1
+,0.0,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,,CID2243178,Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1C
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+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID652075,CNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOC
+0.0,,,,,,,,,,,,0.0,,,0.0,,CID5307542,CC(=O)C1=C(C)N=C2N=CNN2C1c1cccc(OCc2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID680344,CCOC(=O)/C(C#N)=C1/C(=O)N(Cc2ccccc2)c2ccccc21
+0.0,,,,0.0,,,,0.0,,,,,,,,,CID660289,N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1cccs1
+,0.0,0.0,,,,,,,,,0.0,0.0,,0.0,,,CID2377604,COc1ccc(CC(=O)OCn2nnc3ccccc3c2=O)cc1
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+,,,,,,,,,,,,,0.0,,,,CID16194249,O=C(CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)N1CCN(c2ccccn2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3708639,CCOC(=O)C1=C(CSc2nc(CC)c(C)cc2C#N)OC(N)=C(C#N)C1c1ccc(OC)cc1
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID889614,Cn1cnnc1SCc1cccc(Br)c1
+,,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,,CID2981172,CCOC(=O)C1=C(C)NC(=O)NC1c1cc(C)sc1C
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID663746,CC(=O)OCCN(Cc1ccccc1)Cc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,0.0,,,CID1248117,CN(C)c1nc(N)nc(CSc2nnnn2-c2ccccc2)n1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID1363799,O=C(COc1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID663833,Cc1c(NC(=O)CC2CC(C)OC2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID3245619,CCn1cc(C(=O)N2CC(C)CC(C)C2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21
+,,,,,0.0,,,,,,,,,,,,CID2920708,O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2249045,C=CCOc1cccc(/C=N/NC(=O)C(=O)NCc2ccco2)c1
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+,,,,,,,,,,,,,0.0,,,,CID16187661,COc1ccc(/C(C)=N/NC(=O)CNC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID999910,CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID2273713,Cc1ccc(CNC(=O)C(=O)NCc2ccncc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1487450,N#Cc1c(-c2ccccc2)ccn(Cc2ccccc2Cl)c1=O
+,,0.0,,,,,,,,,,,,,,,CID5307311,CCCN1CCN(C(=O)Cn2c(=O)oc3cc(S(=O)(=O)NCc4ccccc4)ccc32)CC1
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+,,,,,,0.0,,,,,,,0.0,,,,CID2150951,COc1ccc(OC)c2c1s/c(=N\C(=O)C(C)C)n2C
+,,0.0,,,,,,,,,,0.0,,,,,CID649977,O=C(Cn1nc(-c2ccccc2F)ccc1=O)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID1373575,Cn1c(SCC(=O)NNC(=O)Cc2ccccc2)nnc1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID16190203,COc1ccc(-c2noc(CN3CCCCC3c3nccn3C)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2478725,Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(C)on3)c2n1
+,,0.0,,,,,,,,0.0,,,,,,,CID662186,CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)C(c4ccc(O)c(OC)c4)C3C2=O)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1881968,CCOC(=O)c1cnn(-c2nc(SC)nc3sc4c(c23)CCCC4)c1N
+,,,,,,,,,,,,,0.0,,,,CID2765832,COCCn1ccc(=O)c(Cc2ccc(Cl)cc2)c1O
+,,,,,,,,,,,,,,0.0,,,CID2828923,COC(=O)c1ccc(/N=N/Nc2ccccc2)cc1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID4103309,COc1ccccc1OCc1nc(C#N)c(N2CC(C)CC(C)C2)o1
+0.0,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,,CID780389,O/N=C1C(=C\c2ccccc2)/N2CCC/1CC2
+,,,,,,,,,,,,,,,0.0,0.0,CID3237177,CCN1CCN(CCCNC(=O)C2c3ccccc3C(=O)N(C)C2c2ccc(OC)cc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID2999473,Cc1[nH]nc2ncc(C(=O)c3ccccc3O)cc12
+,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,,,,CID650567,Cc1cc(NC(=O)CSc2nnc(-c3cccnc3)n2C)no1
+,,,,,,,,,,,0.0,,,,,,CID2774422,N#CC(c1ccc(F)cc1)c1ccc(C(=O)c2ccc(F)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2099331,O=C(COC(=O)c1cccnc1Cl)c1ccc(OC(F)F)cc1
+,,,,,,,,,,0.0,,,,,,,CID1163326,COc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)S(C)(=O)=O
+,,,,,,,,,0.0,,,,,0.0,,,CID726031,Cc1nnc(SCc2ccc(C(=O)O)cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID843498,Cc1ccc(NC(=O)CCn2nc([N+](=O)[O-])cc2C)nc1
+,,,0.0,,,0.0,,0.0,,0.0,0.0,,,,,,CID2791783,COC(=O)c1ccc(Nc2nc(=O)cc(C)[nH]2)cc1
+,,,,,,,,,,,,,,,0.0,0.0,CID3244094,Cc1ccc(CNC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID2309937,N#CC(=C=[N-])c1nc2ccccc2nc1-[n+]1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID4662344,Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C
+,,0.0,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID2958223,C=CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)NC(=O)c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID838666,CC(C)NC(=O)CSCc1c(F)cccc1Cl
+,,0.0,,,,,,,,,,,,,,,CID3239828,CCC(C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)CC1NC(=O)NC1=O
+,,,,,,,,,,,,,0.0,,,,CID11957146,CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C/Nc1ccc2[nH]c(=O)[nH]c2c1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID850703,Cc1ccccc1NC(=O)c1sc(Cl)nc1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16191944,Oc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccc3c(c2)CCO3)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID3236141,COCCCNC=C1C(=O)CC(C)(C)CC1=O
+0.0,0.0,,0.0,,,,,0.0,,,,,,,,0.0,CID5308368,Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2c1
+0.0,,,,,,,,,,0.0,,,,,,,CID645972,Fc1ccc(C(c2nnnn2Cc2ccccc2)N2CCSCC2)cc1
+,,0.0,,,,,,,0.0,,0.0,0.0,,,0.0,,CID2999673,CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCCO3)on1
+,,,,,,,0.0,,,,,0.0,,0.0,,,CID5308744,CC(C)Oc1cc(O)c2c(=O)c(-c3ccc(O)cc3)coc2c1
+,,,,,0.0,,,,,,,0.0,,,,,CID3244478,CCOC(=O)c1cnn(CCOC(=O)C(C)(C)C)c1NC(=O)C(C)(C)C
+0.0,,0.0,,0.0,,,0.0,,,,,,,,,,CID4245044,CCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
+,,,,,,,,,,,0.0,,,,,,CID3243924,O=C(NC1(C(F)(F)F)Oc2ccc(Cl)cc2O1)N1CCC2(CC1)OCCO2
+,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID2898516,CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1c1ccc(N(C)C)cc1