diff --git "a/smi-ted/finetune/moleculenet/muv/test.csv" "b/smi-ted/finetune/moleculenet/muv/test.csv"
new file mode 100644--- /dev/null
+++ "b/smi-ted/finetune/moleculenet/muv/test.csv"
@@ -0,0 +1,9310 @@
+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,,0.0,,,,CID2610613,COCCn1c(SCc2ccc(C(=O)OC)o2)nc2ccccc2c1=O
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+0.0,,,,,,,,0.0,,,,,,,,,CID1261668,O=C(c1cc(-c2ccncc2)nc2ccc(Br)cc12)N1CCN(c2ccccn2)CC1
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+0.0,,,,,,,,0.0,,0.0,,,0.0,,0.0,,CID2217843,OCC#CCSc1nnc(-c2ccccc2Br)o1
+0.0,,0.0,0.0,,,,,,,0.0,0.0,,,,,,CID654867,Cc1ccc(-n2ncc3c(=O)n(Cc4cccnc4)cnc32)cc1
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+,,,,,,,,0.0,,,,0.0,,,,,CID653520,Fc1ccc2c(Cl)c(-c3nnc(-c4cccs4)o3)sc2c1
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+,,,,,,,,,,,0.0,,,,,,CID2964479,CC(C)Oc1ccc(C(CC(=O)NCc2ccco2)c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2119825,CC(C)CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCC(C)CC4)C3=O)nnc12
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+,,,,,,,,,,,0.0,,,,,,CID2217865,COCCCNC(=O)c1ccccc1NS(C)(=O)=O
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+,,,,,,,,,,,,,0.0,,,,CID1346953,COc1ccc(/C=C/C(=O)O)cc1S(=O)(=O)N1CCc2ccccc2C1
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+,,,,,0.0,,,,,,,,,,,,CID3406527,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)OC(C)C(=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,0.0,,,,,,CID3206295,COc1cccc(C(C(=O)NCc2ccco2)N(Cc2ccco2)C(=O)Cn2nnc3ccccc32)c1
+,,,,,0.0,,,,,,,,,,,,CID1352538,COc1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c([N+](=O)[O-])cc1OC
+,0.0,0.0,,0.0,,,0.0,,,,,,,,,,CID655363,COc1ccc(C2C3=C(OC(C)=O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1
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+,,0.0,,,,,0.0,,0.0,,,,,,,,CID3246742,O=C(O)C1CCCCC1C(=O)NCCCc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9551686,CCCC[n+]1ccn(C2=C([O-])c3ccccc3C(=O)/C2=N\S(=O)(=O)c2ccccc2)c1
+,,,,,,,,,,,,,0.0,,,,CID1649246,Cn1c(=O)cc(N)n(Cc2ccccc2)c1=O
+,,,,,,,,,,,,,,0.0,,,CID2241109,Cc1cc(NC(=O)CSc2nnc3ccccn23)no1
+,,,,,,,,,,,,,0.0,,,,CID5140593,Cc1ccsc1/C=N/Nc1nc2ccccc2[nH]1
+,,,,,,,,,,,,,,0.0,,,CID578137,Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1ccccn1
+,,,,,,,0.0,,0.0,0.0,,,,,0.0,,CID1265880,COC(=O)c1cccc(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)c1C
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+,,,,,,,,,0.0,,,,,,,,CID9550147,CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCc4ccccc4C3)ccc21
+,,0.0,,,,,,,,0.0,,0.0,,0.0,0.0,0.0,CID2998902,COc1ccc(N2CCN(C(=O)C(CCSC)NC3=NS(=O)(=O)c4ccccc43)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1237111,CCOC(=O)c1nn(-c2cccc(Cl)c2)c(C)c1C(C)=O
+,,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID1292964,O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2cccc(Cl)c2)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,CID656075,CCC(C)(C)n1nnnc1C(c1ccccc1OC)N1CCSCC1
+,,0.0,,,,,,,,0.0,,,,,,,CID2157557,Cn1cc(S(=O)(=O)CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID7584220,COC(=O)C(CC(C)C)NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID666391,O=c1cc(-c2ccccc2)[nH]c(N2CCCCC2)n1
+0.0,,0.0,,0.0,,,0.0,,,,,,0.0,,,0.0,CID2817094,CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(C)o1
+,,,,,,,,0.0,,,,,0.0,,,,CID2829292,Cc1[nH]nc(N2CCCCC2)c1[N+](=O)[O-]
+0.0,0.0,,,,,,0.0,,,,,,,0.0,,,CID4092398,Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1
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+,,0.0,0.0,,,,0.0,,,,,,,0.0,,,CID655055,c1ccc(OCCCn2nnc(-c3ccncc3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID746003,O=C(Nc1nccs1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
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+,0.0,,,,,,,,,,,,,,,,CID5308854,Cc1oc(-c2ccccc2F)nc1CS(=O)CC(=O)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID3133481,O=C(Nc1ccccc1C(=O)NCCCO)c1ccccc1
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+,,0.0,,,,,,0.0,,,,,,,,,CID1625575,CCOC(=O)/C=C/S(=O)(=O)c1ccc(NC(C)=O)cc1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID6407376,CCN(CC)CCN1C(=O)/C(=N\O)c2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID2870665,O=[N+]([O-])c1ccc(N2CCCC2)cc1NC(c1ccccc1)c1ccccc1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID2621589,COCCn1cnnc1SCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID889170,CN1CCN(C(=O)c2sc(=S)n(-c3ccccc3)c2N)CC1
+,0.0,,0.0,,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID652324,CC(=O)Nc1cc2c(cc1C(C)=O)OCCO2
+0.0,,,,,,,,,,,,,,,,0.0,CID653445,Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)NC3CCCC3)cc2)CC1
+0.0,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID664356,Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1
+0.0,,,,,,0.0,0.0,,,0.0,,0.0,,,,,CID662440,CC(C)c1ccc(O)c(N)c1
+,,,0.0,,,0.0,0.0,,,,,0.0,0.0,,,0.0,CID666333,CCc1nc2sc3ccccc3c(=O)c2c(=O)n1Cc1ccco1
+0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID651963,CCOc1ccc(NC(=O)N2CCC(NC(=O)c3ccco3)CC2)cc1
+,,,,,,0.0,0.0,,,,,0.0,,,,0.0,CID3240819,CCOC(=O)C1C(=O)C=C(N2CCOCC2)CC1c1cccc(OC)c1
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+0.0,,,0.0,0.0,,,,,,,,,,,,0.0,CID649763,C=CCSC1=C(C#N)C(c2cccc(OC)c2)CC(=O)N1
+,,,0.0,0.0,,,,0.0,,,,,,0.0,,,CID1245230,COC(=O)c1sc(NC(=O)c2csc3c2CCCC3)nc1C
+0.0,0.0,,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,CID663334,c1ccc(-c2nnc3n2N=C(c2ccc4c(c2)OCO4)CS3)nc1
+,,0.0,,0.0,,0.0,,,,0.0,,,,,,0.0,CID2574588,CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,0.0,,,,0.0,,,,,,CID2881340,O=C(Cc1ccccc1)N1CCN(CC2CC=CCC2)CC1
+,,,,,,,0.0,0.0,0.0,,,,,,,,CID3235660,CCOC(=O)c1cc2n(c1C)-c1ccccc1C2=O
+,,,,,0.0,,,,,,,,,,,,CID3222670,COc1nc(OC)nc(N2CCC(C(=O)NCc3ccc(F)cc3)CC2)n1
+,,,,,,0.0,,,,,0.0,0.0,,0.0,,,CID664856,Cc1nc(N2CCC(C)CC2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,,0.0,,,CID2828935,O=C1CC(c2ccccc2)=NN1c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID1323579,COc1ccc2nc(Nc3nc(=O)cc(CSc4ccc(C)cc4)[nH]3)nc(C)c2c1
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID3243629,Cc1ccc(CNC(=O)CCCn2c(=O)c3ccccc3n(CC(=O)NCc3ccco3)c2=O)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID666246,CCOC(=O)CC(=O)Nc1nnc(C(C)C)s1
+,,,,,0.0,,,,,,,,,,,,CID4880475,Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1CC1COc2ccccc2O1
+,,,,,,,,0.0,0.0,,,0.0,,,,,CID2088471,COc1cc(C(=O)NCc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID3241967,COc1ccc(NC2c3ncccc3C(=O)N2Cc2ccccc2)c(OC)c1
+,,,0.0,,,,,,,,,,0.0,,,,CID644931,CC(=O)Nc1ccc(Nc2nc(C)nc3c2oc2ccccc23)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,0.0,0.0,CID2954987,CCCNS(=O)(=O)c1ccc(OCC(=O)N2CCN(Cc3ccccc3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4549060,CC1CCN(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)CC1
+,,,,,,,,,,,,,0.0,,,,CID6462731,COC(=O)c1cc(NC(=O)COc2ccc(OC)cc2)ccc1N1CCOCC1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1245495,O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)c1ccccc1
+,,,,,,,,,,0.0,,,,,,0.0,CID1251509,CCCn1/c(=N/C(=O)c2ccco2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21
+,,,,,,,,,,,,,,,0.0,,CID5310398,COc1cc(C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3)CC2)cc(OC)c1OC
+0.0,,0.0,,,,,,,,,,,,,,,CID2999341,O=C1C2CC=CCC2C(=O)N1CC(=O)N(Cc1ccccc1)C1CCS(=O)(=O)C1
+,,,,,,,,,0.0,,,,,,0.0,,CID648836,Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(C(=O)c3ccco3)CC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2222383,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCCC3)cc2)n1
+,0.0,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID3242149,COC(=O)c1cc2sccc2n1CC(=O)Nc1cccc(SC)c1
+0.0,,,0.0,,,,,,,,0.0,,,0.0,,,CID1265989,COc1cccc(CNC(=O)c2ccccc2N)c1
+,,,,,,,,,,0.0,,,,,,,CID693345,CC(C)c1nc2ccccc2n1CCC(=O)O
+,,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID653071,CCS(=O)(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc(NC(C)=O)c(OC)c3)o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4670466,C/C(CCc1ccccc1)=N\NC(=O)C(=O)NC(C)c1ccccc1
+,,,,,0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,CID653323,CC(C)C(OC(=O)c1cc2sccc2n1C)C(=O)NCC1CCCO1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID85773,OC1CCCN(Cc2ccccc2)C1
+,0.0,,,,,,,,,,,,,,,0.0,CID660011,Cc1cc(C)c(C#N)c(N2CCSCC2)n1
+,,,0.0,,,,0.0,,,,,,,,,,CID870081,COC(=O)Cn1cnc(=O)c(C#N)c1/C=C/N(C)C
+0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,,CID645973,CCC(C)N(C(=O)c1csnn1)C(C(=O)NCc1ccc(F)cc1)c1ccco1
+,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID785253,CCOC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3
+,,,,,,,,,,,,,0.0,0.0,,,CID900275,CCc1ccc(/C=C2/C(=O)N(CC)C(=S)N2C)s1
+,,,,,,,,,,,,,,0.0,,,CID891073,CCc1sc(NC(C)=O)nc1-c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1364822,COc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)[nH]c2c1
+,,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID658401,Cc1cc(C)n(Cc2cc(C)c(Cn3nc(C)cc3C)cc2C)n1
+,,,,,,0.0,0.0,,,,,,,,,,CID649386,CCC(=O)Nc1cc(C)c(NC(=O)C23CC4CC(CC(C4)C2)C3)cn1
+,,,,,,,,,0.0,,,,,,,,CID1096383,Cn1c(=O)n(C)c2cc(NC(=O)CCl)ccc21
+,,0.0,,,,,,,0.0,,0.0,,,0.0,,0.0,CID645123,COCCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nnc1-c1ccoc1C
+,,,,,,,,,,,,,,0.0,,,CID2405975,COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,,CID4568643,Cc1ccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c(C)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID3497325,Cc1ccccc1CN1CCN(CC(=O)NCc2ccccn2)C1=O
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID797333,CCc1cc(C(=O)Cc2ccc(F)cc2)c(O)cc1O
+,,,,,,,,,,,0.0,,,,,,CID872016,Cc1cc(NCc2ccccn2)ccc1Br
+,,,,,,,,0.0,,0.0,,,,,,,CID2115846,O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccco1
+,,,,,,,,,0.0,,0.0,,,,,,CID2123742,Cc1cc(C)cc(C(=O)N2CC(=O)Nc3ccccc32)c1
+,,,,,,,,,,,,,,0.0,,,CID2841673,Cc1c(C(c2cccc([N+](=O)[O-])c2O)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,0.0,,,,,,CID621011,Cc1nc2nc(-c3ccc(Cl)cc3)cn2nc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID3711299,CC1(C)SC(=S)N(Cc2ccc3c(c2)OCO3)C1N(O)C(=O)NC1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID4519572,O=S1(=O)CC/C(=N\Nc2ccccc2)c2ccsc21
+0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,,,CID2200259,COC(=O)c1ccccc1COn1c(=O)c[n+]([O-])c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID971088,COc1ccc(Cl)cc1NC(=S)NCc1ccccn1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID2161691,CCCn1nc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,0.0,,,CID626421,Cc1ccccc1N/N=C/c1ccc(N2CCOCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2889510,CCOC(=O)C1CCN(C(=O)C(CC)c2ccccc2)CC1
+,,,,,0.0,,,0.0,,,,,,,,,CID9550085,Cc1ccc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3sccc32)c1
+,0.0,,,,,,,,,,,,,,,,CID657464,N#CC12CCCCC1CC1CCCCC1(C#N)N2Cc1ccccn1
+,0.0,0.0,,,,,,,0.0,,,,,,0.0,,CID2228683,CC(=O)c1cccc(NC(=O)CN2C(=O)COc3ccc(Cl)cc32)c1
+,,,,,,,,,,,,,0.0,,,,CID3223481,CCCNC(=S)N1CCC(c2nc3cc(C)c(C)cc3[nH]2)CC1
+0.0,,,,,,,,,,,,,,,,,CID544828,Cc1c(/N=C/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,0.0,,,,,,,CID2297690,CCCS(=O)(=O)C(=C(Nc1ccc(OC)cc1)Nc1ccc(OC)cc1)S(=O)(=O)CCC
+0.0,,,0.0,,,,,,,0.0,0.0,,,,,0.0,CID3237907,O=C(NC1CCCCCCC1)C1CCN(c2nc3ccccc3o2)CC1
+,,,,,0.0,,0.0,,,,,,,,,,CID3243190,O=C(C1CC(=O)N(C2CCCC2)C1)N1CCC(Cc2ccccc2)CC1
+,,,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID2079570,CCn1c2ccccc2c2cc(NC(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)ccc21
+,,,0.0,,,,,,,,0.0,,,,,,CID644408,O=C(CS(=O)CC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccc(F)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID807900,Cc1ccc(OCC(=O)NCCN2CCOCC2)cc1C
+0.0,,,,0.0,,,0.0,,,,,,,,,0.0,CID662426,CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1
+,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID2187677,c1ccc(-c2nnc(CSc3nc4ccccc4[nH]3)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID652345,CCOc1ccc(Nc2nc(NCCN3CCOCC3)nc(OC)n2)cc1
+,0.0,,,0.0,,0.0,,0.0,,0.0,,,,,,,CID2862270,CC(=O)C1=C(C)NC(SCSc2ccccc2)=C(C#N)C1c1cccnc1
+,,0.0,,,,,,,,,,,,,,0.0,CID5310597,CCOc1ccc(N2C(=O)NC(=O)/C(=C/NCCN(CC)CC)C2=O)cc1
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+,0.0,0.0,,,,,,,,,,,,,,,CID2187751,COCCN(CCOC)c1ncnc2c1cnn2-c1ccccc1
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+,0.0,,,,,,,,,,,,,,,,CID870796,CC1(C)CC(=O)C(=CN2CCN(C(=O)c3ccco3)CC2)C(=O)C1
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+,0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,CID3151247,COc1ccccc1OCC(O)CN1C(=O)NC(C)(C)C1=O
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+,0.0,,,,,0.0,,,,,,,0.0,,,,CID797867,CCOc1ccc(Cl)cc1/C=N/O
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+,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,CID1741049,CCCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1
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+,,0.0,0.0,,,0.0,,,,0.0,0.0,0.0,,,,0.0,CID651192,Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1
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+,0.0,,,,,,,,0.0,,0.0,,,,,,CID651700,Nc1cc(=O)nc(SCCNS(=O)(=O)c2ccccc2)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID3450986,C=CCC1(O)C(=O)N2C(=C1C(=O)OCC)c1ccc3ccccc3c1CC2(C)C
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+,,0.0,0.0,,,0.0,,0.0,,,,,,,,0.0,CID648900,O=C(CN(C(=O)c1ccco1)c1cccc(F)c1)NCc1ccc(F)cc1
+,,,,,,,,,0.0,,,,,,,,CID4878205,CC1CCCN(C(=O)COC(=O)c2ccc[nH]c2=O)C1
+,,,,,,0.0,0.0,,,,0.0,,,,0.0,,CID691990,c1ccc(Nc2ccccc2Nc2ccccn2)nc1
+,,,,,,,,,0.0,,,,,,,,CID3185160,CC(=O)c1cccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC2CCCCC2)c2cn(C)nc2C)c1
+,,,,,,0.0,,,0.0,,,,,,,,CID654115,O=C(CSc1ncc(-c2ccc(F)cc2)[nH]1)Nc1cccc(O)c1
+,,,,,,,,,,,,,0.0,,,,CID840995,CCOc1cc(/C=N/O)cc(Cl)c1OC
+0.0,,,,,,,,,,,,,,,,,CID3245895,O=C(NCCN1CCCCCC1)C1CCN(S(=O)(=O)N2CCOCC2)CC1
+,0.0,,,,,,,,0.0,,,0.0,0.0,,,,CID241166,O=c1ccnc(SCc2ccccc2Cl)[nH]1
+,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID1394573,Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccco2)cc1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID3242432,Cc1noc(C)c1S(=O)(=O)NCCN1CCN(c2ccccc2)CC1
+0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,0.0,,,,,CID2999684,CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1
+0.0,,0.0,,,,0.0,,0.0,,,,,,,,,CID670139,COc1ccccc1N1CCN(C(=O)Cc2cccs2)CC1
+,,,,0.0,,,,,,,,,,,,,CID3241852,COCCCNC(=O)c1ccc2c(c1)ncn2-c1ccccc1OC
+,,,,,,,,,,,,,,0.0,,,CID2197273,COc1ccc([N+](=O)[O-])cc1NC(=O)C1(c2ccc(OC)c(OC)c2)CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1014343,O=C(NC(=S)NCCC1=CCCCC1)c1ccccc1Br
+,,,,,,,,,,,,,0.0,,,,CID885617,COCC(=O)Nc1ccc(Br)cc1C
+,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID1258667,O=C(NCc1ccoc1)c1ccc(NC(=O)c2ccccc2Cl)cc1
+,0.0,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID2997906,CC(Sc1nnnn1-c1ccccc1)C(=O)Nc1ccc(Cl)cn1
+0.0,,,,,,,,,,,,,,,,,CID2108613,O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1nnc(-c2ccccc2)o1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID752193,CCOc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1886804,Cc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O
+,,,,,0.0,,,,0.0,,,,,,,,CID5309071,CCN(CC)CCCNC(=O)Cn1ncc2c(=O)oc3ccc(C)cc3c21
+,,,,,,,,,0.0,0.0,,,,,,,CID1081043,CC(C)(C)NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
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+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID2842240,Cc1ccccc1Nc1c([N+](=O)[O-])ccc2c1=NC1(CCCCC1)N=2
+,,,,,,,,,,,,,0.0,,,,CID5766010,CCCN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID5739850,C=CCN1C(SCc2ccccc2C#N)=NN/C1=C1/C=CC=CC1=O
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+,,,0.0,,,,,0.0,,,,,0.0,,0.0,,CID2936947,O=C(Nc1nc2ccccc2s1)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
+,,,,,,,,,,,,0.0,,,,,CID2610226,CCOC(=O)NC(=O)CSc1nnnn1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID873408,O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,0.0,,,,,,,0.0,,CID5307619,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCCC(C(=O)NC2CCCCC2)C1
+,,,,,,,,,,0.0,,,0.0,,,,CID1248867,O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)c1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,0.0,CID2851670,Cc1ccc2cc(C)c(N3CCN(c4ccccn4)CC3)nc2c1
+,,,,,,,,0.0,,,,,,,0.0,,CID3235618,Cc1cc2c(N3CCCCC3C)ncnc2s1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID1259714,O=C(NCc1ccc(N2CCCC2=O)cc1)Nc1ccccc1
+,,,,,,,,,0.0,,,0.0,,,,,CID3151326,C=CCn1c(=N)c(C(=O)NCCCOC)cc2c(=O)n3cc(C)ccc3nc21
+,,,,,,,,,,,,,0.0,,,,CID4184674,CC1=NN(C(=O)c2ccc(Cn3nc(C)cc3C)o2)C(O)(C(F)(F)F)C1
+,,,,,0.0,,,,,,,,,,,,CID3568222,Cc1c(C(=O)NC(C)c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1
+,,,,,0.0,,,,,,,,0.0,,,,CID6614531,Cc1ccc(C2=C/C(=C3/C=CC=CC3=O)NC(N/N=C/c3cccnc3)=N2)cc1
+0.0,0.0,,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,0.0,,CID2081442,Cc1cc(C(=O)CSc2nc(=O)c3ccccc3[nH]2)c(C)n1C
+,,,,,,,,,,,,,0.0,0.0,,,CID802913,CCOc1ccc(-c2ccc(C=O)o2)c([N+](=O)[O-])c1
+,,,0.0,,0.0,,,,,,,0.0,,0.0,,0.0,CID662983,CCCCOc1cccc(C(=O)N(Cc2cccs2)C2CCS(=O)(=O)C2)c1
+,,,,,0.0,,,,,,,,,,,,CID843834,CCc1cc(C(=O)NNC(=S)NCc2ccccc2)cs1
+,,,,,,,,,,,,,0.0,0.0,,,CID2330442,O=C(Nc1cccnc1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,0.0,,,,,,0.0,,,,,,CID787406,Cc1ccc(O)c(CNc2nc3ccccc3n2C)c1
+,,,,,,,,,,,,,,0.0,,,CID978781,CCOC(=O)Cc1csc(NC(=O)c2c(O)n(CCC(C)C)c3ccccc3c2=O)n1
+,0.0,,,0.0,,0.0,,,,,,,,,,0.0,CID2235406,CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID2984275,O=C(CC(Sc1n[nH]c(-c2ccccc2)n1)c1ccccc1)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1424829,O=C(CSc1nc2ncc(Br)cc2[nH]1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID898288,CCN1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1
+0.0,,,,,,,,,,,,,,,,,CID3237549,COc1cccc(C2=NOC(C(=O)N3CCOCC3)C2)c1
+,,,0.0,0.0,,0.0,,0.0,,,,,,,,0.0,CID1081261,O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccnc1
+,,,,,,,,,,0.0,,,,,,,CID5770783,CCC(=O)Nc1ccc(C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2CC2CCCO2)cc1OC
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID5389087,N#[N+]/C=C(\[O-])CCCN1C(=O)c2ccccc2C1=O
+,,,,,,,,,0.0,0.0,,0.0,0.0,,,0.0,CID653334,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)cc1
+,,,0.0,0.0,,,,,,,,,,,,,CID1296934,CCN(CC)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID755449,O=C(Nc1sc2c(c1C(=O)O)CCCCC2)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5765254,O=C(NCc1ccccn1)/C(=C/c1ccco1)NC(=O)c1ccccc1
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+,0.0,0.0,,,,,,,,,,0.0,0.0,0.0,0.0,,CID645089,N#Cc1ccc(Oc2ccc(C(N)=O)cc2)cc1C#N
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+,,,,,0.0,,,,0.0,,,,,,,,CID784616,O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCC2
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+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,0.0,CID1301789,CCOC(=O)c1ccc(NC(=O)c2nn(CC)cc2Br)cc1
+,,,,,,0.0,,,0.0,,,,,,,,CID741713,O=C(Nc1sc2c(c1C(=O)O)CCC2)c1cccs1
+,0.0,,,,,,,,0.0,0.0,,,,,,,CID666461,CCCCn1nnnc1NCc1cc(OC)c(OC)c(OC)c1
+,,,,0.0,,,,1.0,0.0,0.0,0.0,0.0,,,,,CID2594878,CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID646869,COC(=O)c1nc2nc(C)cc(C(F)(F)F)n2n1
+,,,,,,,,,,,0.0,,,,,,CID1003065,CCOc1ccccc1/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1
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+,,,,,,,,0.0,,,0.0,,,,,,CID653395,CC1OC(Nc2ccc(OC(F)(F)F)cc2)C(O)C(O)C1O
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,0.0,0.0,CID2701524,CCSc1nnc(NC(=O)c2nn(C(C)C)c(=O)c3ccccc23)s1
+,,,,,0.0,,,,,,,,,,,,CID2247630,O=[N+]([O-])c1ccc(-c2cc(-c3ccncc3)nc3ccc4ccccc4c23)cc1
+,,,,,,,,,,,,0.0,,0.0,,0.0,CID2964566,O=C(NCCC1=CCCCC1)C1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
+0.0,,,,0.0,,,,,,,,,,,,,CID4644163,O=C(NCCc1ccc(Cl)cc1)c1cnc2n(c1=O)CCS2
+,,,,,,,,,,,,0.0,,,0.0,,CID2920750,CC(C)N(C(=O)C1CC(=O)OC12CCCCC2)C(C)C
+0.0,,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,0.0,CID658969,CCc1c(O)n(-c2ccccc2)c(SCC(=O)Nc2ccccc2)nc1=O
+,0.0,0.0,0.0,,0.0,0.0,,,,,0.0,,,,0.0,,CID2289365,CCCCc1nc(SCC(=O)Nc2cc(C)on2)n[nH]1
+0.0,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID3545464,C=CCn1/c(=N/C(=O)C2CC2)sc2cc(NC(C)=O)ccc21
+,,,,,,,,,,,,,0.0,,,,CID2434941,CCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID4962025,Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2128380,Cn1nc(C(=O)Nc2nc3ccccc3[nH]2)ccc1=O
+,,,,,,,,,,,,,,0.0,,,CID2784654,O=c1cc(O)oc2c1c(=O)n(Cc1ccccc1)c1ccccc21
+,,,0.0,,,,,,0.0,,,0.0,0.0,0.0,,,CID899197,COc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
+,,0.0,,,,0.0,,,,,,,,,0.0,,CID627403,CCS(=O)(=O)Nc1ccc2c(c1)N(C(C)=O)c1ccccc1CC2
+,,,,,,,,,,,0.0,,,0.0,,,CID831351,Cc1nc2ccc(S(=O)(=O)c3ccc4nc(C)[nH]c4c3)cc2[nH]1
+,,,,0.0,0.0,,,,,,,,,0.0,,,CID661718,O=C(O)CSCC(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID2959218,O=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCN1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID3990501,CC(C)Cn1c(CCCNC(=O)c2ccc(F)cc2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1475387,COc1ccc(/C=C/C2=NN(Cc3ccccc3)C(=O)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1823582,Cc1ccc(N(CC(=O)NCCSc2ccc(Cl)cc2)S(C)(=O)=O)cc1
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+,,,,,,,,0.0,,,0.0,,,,,,CID800172,CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCCC2)cc1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,,,CID3241361,O=C(CC(NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NC1CCCC1
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID846157,Cc1ccccc1CNCc1cccnc1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID2155707,COc1ccccc1-c1nnc(SCC(=O)N2CCOCC2)o1
+0.0,,,0.0,,,,,,,,,,,,0.0,0.0,CID2999338,Cc1cc(Cl)ccc1OC(C)C(=O)Nc1ccccc1N1CCOCC1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID898151,COC(=O)c1cc(C)sc1NC(=O)CCCC(=O)O
+,0.0,,,,,,,,,,,,,,,,CID659910,Cc1ccc(C2=Nc3ccccc3NC(C)(c3ccc(C)o3)C2)o1
+,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID3238496,Cc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCC(C)CC4)c3c2=O)n1
+,,,,,,,,0.0,,,,,,,,,CID935632,COc1ccc(C(=O)Nc2nc(=O)c3ccccc3[nH]2)cc1
+,,0.0,,,,,,,,,,,0.0,,,0.0,CID273362,O=C(NC(Cc1ccccc1)C(=O)O)c1ccccc1
+,0.0,0.0,,,,0.0,,,,0.0,,0.0,,,,,CID645514,Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)C2)cc1
+,0.0,,,,0.0,,,,,,0.0,,,0.0,,0.0,CID655142,CCCC(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID650962,Cc1ccc(S(=O)(=O)Cn2nnnc2C(C(C)C)N2CCN(Cc3ccco3)CC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID576735,Cc1cccc(C(=O)NNC(=O)C(=O)NC(C)(C)C)c1
+,0.0,0.0,,,,,,,0.0,0.0,,,,,0.0,,CID666301,COc1ccc(-n2nnnc2SCC#CCO)cc1
+,,,,,0.0,,,,,,,,,,,,CID1364583,O=C(O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2Cl)cc1
+,,,,,,,0.0,0.0,0.0,,,,,,,0.0,CID307336,Cc1ccc(CNC(=O)C2CCCCC2C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID3124632,CCCNc1c(NC(C)=O)c(=O)oc2ccccc12
+0.0,,,,,,,,,,,0.0,,,0.0,0.0,,CID3237016,O=C(NCCN1CCOCC1)c1cc(=O)[nH]c2ccc(Br)cc12
+,,,,,0.0,,,,,,,,,,,,CID1934861,CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC(C)C)c2c(c1=O)CCCC2
+,,,,,,,,,,,0.0,,,,,,CID4254577,COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2ccc(F)cc2)cc1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID661657,O=C1c2ccccc2C(=O)N1Cc1nn2c(-c3ccc(Cl)cc3)nnc2s1
+,,,,,,,,,,0.0,,,,,,,CID1452205,COc1ccc(Cl)cc1C(=O)CSc1nnnn1C1CCCCC1
+,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,0.0,,CID1263081,CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1cccs1
+,,,,,,,,,0.0,,,,,,,,CID3240519,O=C(c1ccco1)N1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3507993,CCOCCn1c(-c2ccc(OC)cc2)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID2459972,CCc1ccc(C(=O)COC(=O)c2cccnc2Cl)cc1
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID3240653,CC(=O)Nc1cccc(NS(=O)(=O)c2cccc3nsnc23)c1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID2247152,CC(C)(C)NCCCCOc1ccccc1F
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID652717,CCN1CCCC1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1OC
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID700859,Cc1cccc(NS(=O)(=O)c2ccc3c(c2)OCCO3)c1
+0.0,,,,0.0,,0.0,,,,,,,0.0,,,,CID3241677,CCOC(=O)C1CCN(C(=O)CC2C(=O)N(Cc3ccccc3)C(C)c3nc4ccccc4n32)CC1
+,,,,,,,,,,0.0,,,,,,,CID9579595,N/C(=N\c1nc2ccccc2o1)NC(=O)c1ccccc1NC(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID644684,Cc1ccc(-c2nnn(CC(=O)N(Cc3ccccc3)C(C(=O)NC3CCCC3)c3ccncc3)n2)o1
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID2258754,c1ccc(OCCSc2nc3ccccc3o2)cc1
+,,,,0.0,,0.0,,0.0,,,,,0.0,,,,CID667197,COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID2823532,Cc1ccccc1NC(=O)c1ccc2snnc2c1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID870646,O=C1CS/C(=C/C(=O)c2ccccc2)N1
+0.0,0.0,,,0.0,,0.0,,,,,0.0,,,,,,CID712025,CC1(C)Cc2noc(N)c2C(C)(C)N1OC(=O)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID3829966,CN1C(=O)CC(NNC(=O)c2ccccc2)C1=O
+,,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID5309377,Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)N(C)C2CCCCC2)c(C)o1
+0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,CID654784,COc1ccc(-c2nc3c(=O)n(C)c(=O)[nH]c3n2CCc2ccccc2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID3243762,CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID3225960,CC(C)c1ccc(-c2noc(C3CCCN(S(C)(=O)=O)C3)n2)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID3788105,Cc1ccc2c(c1)c1c(n2CC(O)CNC(CO)(CO)CO)CCCC1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID608382,CC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12
+,,0.0,,0.0,,,,0.0,0.0,,0.0,,,,0.0,,CID2303880,COC(=O)C1(S(=O)(=O)C2(C(=O)OC)CCCC2)CCCC1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID3243186,Cc1onc(-c2ccccc2Cl)c1C(=O)NCCn1ccc2ccccc21
+0.0,0.0,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,CID651137,COc1ccc(CCN(Cc2nc(=O)c3ccccc3[nH]2)C(=O)c2ccco2)cc1
+0.0,,,,,0.0,0.0,,,,,,0.0,,,,,CID3237160,O=C(c1cc(-c2ccco2)on1)N1CCc2ccccc2C1
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID1243273,COc1ccc(C(=O)NCC(=O)Nc2ccc(F)cc2)cc1OC
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID2124916,NC(=O)c1ccsc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1
+,,0.0,,,,,,,0.0,0.0,,,,,,0.0,CID3236129,Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)nc2c1c(=O)oc1ccccc12
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1975172,COCc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1
+,,,,,,,,,,,,0.0,0.0,,,0.0,CID669275,O=S(=O)(Cc1ccccc1)N1CCc2ccccc2C1
+,,,,,,,,,,,,,0.0,,,,CID1983387,COCCCNC(=O)Cc1coc2ccc3ccccc3c12
+,,,,,,0.0,,,0.0,0.0,0.0,0.0,,,,0.0,CID2410091,Cc1noc(C)c1CSc1ncnc2ccccc12
+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3245762,Cn1c2ccccc2c2c(C(=O)NCCCN3CCCC3=O)cn(C3CCCCC3)c(=O)c21
+,,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,CID663557,O=c1cc(CN2CCOCC2)c2c(ccc3ccccc32)o1
+,,,,,,,,,,0.0,0.0,,,,,,CID3193513,CC(C)(C)n1nnnc1C(c1ccc(Cl)cc1)N1CCSCC1
+,,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,CID655795,COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCc3ccc4c(c3)OCO4)CC2)cc1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID3213141,COCCN1CC(=O)N(c2ccc(C)cc2C)C(c2ccc(N(C)C)cc2)C1=O
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2316100,COC(=O)c1nc(NC(=O)c2ccc(Br)cc2)n[nH]1
+,,,,,,0.0,,,,,,,,,,,CID2868392,CCNC(=O)C1OC(n2cnc3c(N)ncnc32)C(O)C1O
+,,,0.0,,0.0,0.0,,,,,,,,,,,CID2916850,CCOc1ccc(/C(=N/O)C(C)NO)cc1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,,,CID2998173,CCN(CC)c1ccc(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)cc1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID3133124,Cc1ccc(S(=O)(=O)N(CC(O)CN2C(=O)NC(C)(C)C2=O)c2ccccc2)cc1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID663720,CCC(C)C(NC(=O)NC1CC1)C(=O)O
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID2601930,Nn1c(SCC(=O)NC2CCCCC2)nnc1C1CC1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID662487,CC1CN(c2nc3c(c(=O)n(Cc4ccc(Cl)cc4)c(=O)n3C)n2C)CC(C)O1
+,,0.0,0.0,,,,0.0,,,,,,,,,0.0,CID3244301,CC(C)(C)n1ncc2c(=O)n(CC(=O)NCc3ccccc3)cnc21
+0.0,0.0,,,,,,0.0,,,,0.0,,,,,,CID756105,O=C(Nc1ccccc1N1CCCC1)c1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID1906176,O=C(O)/C=C\C(=O)Nc1cccc(-c2cn3ccccc3n2)c1
+,,0.0,,0.0,,,0.0,,,,,,,,0.0,0.0,CID1306535,Cc1cccc(C)c1OCc1nnc(SCC(=O)NCCc2ccccc2)o1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID566023,CCc1nnc(NCn2nc(C)cc2C)s1
+,,,,,,,,,,,,,0.0,,,,CID894792,O=C(Nc1ccccc1)c1ccccc1OCc1cccc([N+](=O)[O-])c1
+,,,,,0.0,0.0,,,,,,,,,,,CID650071,CCCCOc1ccc(NC(=O)CSCC(=O)OCC)cc1
+,,,,,,,,0.0,,,,,,,,,CID2172121,Cc1ccc(SCCNC(=S)Nc2ccccc2)cc1
+,,,,,,,,0.0,,,0.0,0.0,,,0.0,,CID1947375,CCCCn1c(C)c(C(=O)OCC)c2c(CN3CCOCC3)c(O)ccc21
+,,,,,,,,,,,,,0.0,,,,CID895340,O=C(c1ccc(COc2ccc(Cl)cc2)cc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,,,,CID1576477,O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)NNC(=O)c1cccnc1
+,0.0,,0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,,CID651380,Cc1csc(NC(=O)CNC(=O)OCc2ccccc2)n1
+,0.0,,,,,,,,,,,,,,,,CID2906240,CC1=C(C(=O)OC2CCCC2)C(c2ccc(C)o2)C2=C(CC(c3cccs3)CC2=O)N1
+,,,,,,,,0.0,,,,,0.0,,,,CID649641,CCCC(=O)Nc1ccc(NC(=O)C2CC2)cn1
+,,,,,,,,,,,,,0.0,0.0,,,CID2842628,Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-]
+,,,,,,0.0,,,,,0.0,,,,,0.0,CID755902,Cc1noc(C)c1CSc1ccc2ccccc2n1
+,,0.0,,,,0.0,0.0,0.0,,,,,,,,,CID659107,COc1ccc2c(c1)c(C(=O)O)c(C)n2CC(C)C
+,,,,,,,,,0.0,,,,,,,,CID3403589,O=C1C=C(NCc2ccc(Cl)cc2Cl)C2(CCCCC2)O1
+,,,,,,,,,0.0,,,,,,,,CID1147722,CCOC(=O)c1cccc(NC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1
+,,0.0,,0.0,0.0,,0.0,,0.0,,,,,,,,CID3237678,CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)Nc3ccc(OC)cc3OC)c(C)c2c1
+0.0,,0.0,,0.0,0.0,,,,,,,,,,0.0,0.0,CID3155810,COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)CS3)cc1
+,,0.0,,,,,0.0,,,0.0,,,,,,,CID9567514,O=C(/N=C(/Nc1ccccc1)N1CCOCC1)Nc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2293496,Cc1cc(NC(=O)CCN2C(=O)/C(=C/c3ccccc3F)SC2=S)no1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,,0.0,,,,CID716784,Cc1n[nH]c(NCCc2ccccc2)nc1=O
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID975977,Cc1nc(NC(=O)CCc2ccccc2)ccc1Br
+,,,,,,,,,,,,,,0.0,,,CID3716568,Cc1ccc(/C=N/NC2=NC(=O)C(CC(=O)Nc3ccccc3)S2)o1
+,,,,,,0.0,,,,,,,,,,,CID2392044,CN(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1
+,,,,,,,,,,0.0,,0.0,,,0.0,,CID806931,COc1ccc(NC(=O)CC2CCCCC2)cc1OC
+,,,,,,0.0,0.0,,,,,,,,,,CID5081526,CCCSc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID2649806,COc1ccc(C(=O)COC(=O)CCCn2c(=O)oc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID2765658,N#Cc1cn(Cc2ccncc2)c(=O)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID1778831,Clc1cccc(CSc2ncn(-c3ccccc3)n2)c1
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID758934,COc1ccccc1NC(=O)Cc1nn(C)c(=O)c2ccccc12
+,0.0,,,,,,,,0.0,,,,,,0.0,,CID1246132,O=C(NCCN1CCCCC1)Nc1ccc(F)c(Cl)c1
+,0.0,,,,0.0,,,,,,,,,0.0,0.0,,CID2998786,c1ccn2cc(CSc3nnc4ccccn34)nc2c1
+0.0,,,,,,,,,,,,0.0,,0.0,,,CID3243244,CCOC(=O)N1CCN(C(=O)c2cn(CCOC)c(=O)c3c2c2ccccc2n3C)CC1
+,,,,,,,,,,,,,,0.0,,,CID3833044,Cc1ccc(C(CCN(Cc2ccccc2)C(=O)c2ccco2)c2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3421471,CCCC12CN3CCN(CC(C3)/C1=N\NC(=O)c1ccc(C(C)(C)C)cc1)C2
+,0.0,,,,,,,,0.0,,,,,,,,CID3243853,O=c1c2ccccc2nc2ccc(NCc3ccco3)nn12
+,,,,,,,,,,,,,0.0,,,,CID1269682,CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3cccnc3)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID3244585,Cc1ccc2c(c1)N(CCCC(=O)NCC1COc3ccccc3O1)C(=O)CO2
+,,,,,,,,,,,,,,,0.0,,CID719637,CCS(=O)(=O)N1CCN(C(=O)c2cccnc2)CC1
+,,,,,,,,,,,0.0,,,,,,CID781453,C(=N/n1cnnc1)\c1ccc(N2CCOCC2)cc1
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1285094,Clc1ccc(Sc2oc(/C=N/n3cnnc3)cc2Br)cc1
+0.0,,,,0.0,,,,,0.0,,,0.0,,,,,CID1356857,O=C(c1ccc(C(=O)N2CCCc3ccccc32)nc1)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3373332,Cc1ccc(C2Nc3ccccc3NC3=C2C(=O)OC(C)C3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2207364,CC(=O)c1ccc(N2CCN(C(=S)Nc3ccccc3C(F)(F)F)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID661109,O=C(NC1CCS(=O)(=O)C1)c1c(NC(=O)C2COc3ccccc3O2)sc2c1CCCC2
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3244580,CC(C)N(CCNC(=O)C1CCN(S(=O)(=O)N2CCOCC2)CC1)Cc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID783530,CN(C)c1ccc(CN(C)C2CCCCC2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID1373123,c1ccc(CN2CCN(c3nc4ccccc4c4ccccc34)CC2)cc1
+,,0.0,,,,,,,,,,,,,,,CID649149,COc1ccc(-n2nnnc2-c2cccc(OC)c2)cc1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2791873,CCOC(=O)c1cnc2ccc(Br)cc2c1NCC(C)O
+0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,CID1364863,O=S(=O)(c1ccccc1)N1CCN(Cc2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,,,0.0,,CID5307216,CCOC(=O)N1CCN(C(=O)CSc2ncnc3ccccc23)CC1
+,,0.0,,,0.0,0.0,,0.0,,0.0,,0.0,,,0.0,,CID651110,Cc1cc2nc(SCC(=O)Nc3nonc3C)c3c(c2cc1C)CCCC3
+,,,,0.0,,0.0,,,0.0,,0.0,0.0,,,,,CID2297232,C=CCSC1=N/C(=C\c2ccc3c(c2)OCO3)C(=O)S1
+,,,,,,,,,,,,0.0,,,,0.0,CID2548680,CC1(C)Cc2cccc(OCC(=O)N3CCN(S(=O)(=O)c4ccccc4F)CC3)c2O1
+,,,,,,,0.0,,,,,,,,,0.0,CID3237561,O=C(CCCCCn1c(=S)[nH]c2cc3c(cc2c1=O)OCO3)N1CCN(Cc2ccccc2)CC1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID3243558,COC(=O)c1ccc(-c2cc(C(=O)O)c3cc4c(cc3n2)OCCO4)cc1
+,,,0.0,,,,,,,,,,,,,,CID709363,O=C(NC(=O)c1cccc(F)c1)OCC1CCCN2CCCCC12
+,,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID3239379,CCOc1cc2[nH]c(=S)n(CCCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2cc1OCC
+,,,,,,0.0,0.0,,,0.0,,,,,,,CID904070,CC(=O)Nc1sc(N)nc1-c1ccccc1
+,,,,0.0,,,,,,,,,,,,,CID1077177,O=S(=O)(c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1301894,O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,,,,0.0,,,,,,,CID1147018,Cc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1
+,,,0.0,,,,,,,,,,,,,,CID5740917,COc1ccc(OC)c(NC(=O)C2CC(=O)N3NC=NC3=N2)c1
+,,,,,,,,,,0.0,,,,,,,CID3102700,CCCCCOC(=O)Cn1c(=O)c2c(nc(N3CCOCC3)n2C)n(C)c1=O
+,,,,0.0,,,,,,,,,,0.0,0.0,,CID2239289,CCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)OC)o1
+,,,,,,,,,,,,,,0.0,,,CID890933,O=C(/C=C/c1ccccc1[N+](=O)[O-])NCc1cccnc1
+,,,,,,,,0.0,,,,,,,,,CID723672,CC(=O)c1c(N(C)C)ccnc1C(F)(F)F
+,,0.0,,,,,,,,,,,,,,,CID5389931,CN1C(=O)C2(N=c3ccccc3=C3Nc4ccccc4N32)c2ccccc21
+,,,,,0.0,,,,,,0.0,,,,,,CID1026230,Cc1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2992785,c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID1287250,CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,,,CID2999674,CCCc1cc(=O)nc(SCC(=O)N(CC(C)C)C2CCS(=O)(=O)C2)[nH]1
+,,,,,,,,,,0.0,,,,,,,CID5029944,O=C(COn1nnc2ccc(Cl)cc21)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,,CID2081443,Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)NC(C)(C)C)cc12
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID658863,CCOC(=O)Cn1nc(C)c2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID1483847,Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C)c1=O
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID1140730,Nc1cc(=O)nc(SCc2nc3ccccc3n2Cc2ccccc2)[nH]1
+,0.0,,,,,,,,,0.0,,,,,,,CID972752,CCOC(=O)N1CCN(c2cc3nccnc3cc2F)CC1
+,,,,,,,,,,,0.0,,,,,,CID2380852,COc1ccc(-c2csc(Cc3nnc(N4CCOCC4)n3-c3ccccc3)n2)cc1OC
+,,,,,0.0,,,,0.0,0.0,,0.0,,,0.0,,CID666163,O=C1NC(c2ccc3c(c2)OCO3)Oc2ccccc21
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+,,,,,,,,,,,,,0.0,,,,CID3502533,FC(F)(F)c1cc(-c2cccs2)nc(-n2cc(Br)cn2)n1
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+,0.0,,,,,,,,,,,,,,,,CID3242037,COCCn1cc(C(=O)N2CCC(C)CC2)c2c3ccccc3n(C)c2c1=O
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+,,,,,1.0,,,,,,,,,,,,CID702952,c1ccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID3236047,Cc1cccc(NCc2ccccc2O)c1C
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+,,,,,,,,,,,,,,,,0.0,CID2876195,Cc1ccc(NCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+0.0,0.0,,,,,,,,0.0,,0.0,,,,0.0,,CID650561,CC(=O)N(CN1C(=O)C2CC=CCC2C1=O)c1cccc(Cl)c1
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+,,,,,,,,,,,,,,0.0,,,CID1008176,C=CCN(c1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(C)(=O)=O
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+,,,,,0.0,,,,,,,,,,,,CID3727893,CCC(=O)NCc1c(Cl)cccc1-n1cccc1
+,,,,,,,,,,0.0,,,,,,,CID5737472,CCOC(=O)c1oc2c(CN3CCCCC3C)c(O)ccc2c(=O)c1-c1ccc(OC)c(OC)c1
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+,,,,,,,,,,,,,,0.0,,,CID4969272,CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID659493,Nc1nnc(CC2=CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID2377724,C=CCn1c(SCC(=O)NC2CC2)nc2sc(CC)cc2c1=O
+,,,1.0,,,,,,,,,,,,,,CID3542,CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
+,,,,0.0,,,,,,,,,,,,,CID2231243,Cc1cc(NS(=O)(=O)c2ccc(OCCNS(C)(=O)=O)cc2)no1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID648435,CN(C)c1ccc(C(=O)OCC(=O)c2cccs2)cc1
+,,,,,,,,,,,0.0,,,,,,CID1462538,COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1
+,,,,,0.0,,,,0.0,0.0,,,0.0,,,,CID2330578,Cc1cc(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)no1
+,,,,,,0.0,,,,,,,,,,,CID2225263,COC(=O)Nc1sccc1C(=O)Nc1sccc1C(=O)OC
+,,,,,,,,,,,0.0,,,,,,CID1470401,CC(C)N(C(=O)CSc1nc2ccccc2n1Cc1ccccc1)C(C)C
+,0.0,,,,0.0,0.0,0.0,0.0,,0.0,0.0,,,,,,CID3240582,COc1ccc2cc3cc(C(=O)NCCc4ccc(OC)c(OC)c4)oc3nc2c1
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,,CID208786,O=c1nc(N2CCCCC2)[nH]c2c1CCCC2
+0.0,,,,,,,,,,0.0,,,,,,,CID5308514,CN1CCN(CCCNC(=O)c2ccc(CS(=O)(=O)c3ccc(Br)cc3)o2)CC1
+,,,,,,,0.0,,,,,,,,,,CID3239545,CCOC(=O)c1cn(CC(=O)Nc2ccccc2C(=O)OCC)nn1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID5711660,CCN1/C(=C(\C#N)C(=O)CCc2ccccc2)Nc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID2085690,CCc1cccc2c(C(=O)COC(=O)c3nn(C)c(=O)c4ccccc34)c[nH]c12
+,,,,,,,,,,,,,,0.0,,,CID2197219,COC(=O)Cc1ccc(NC(=S)N2CCN(c3cc(Cl)ccc3C)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2379774,Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)no1
+,,,,,,,,0.0,,,,,,,,,CID3220530,CC(C)(C)C(=O)Nc1nnc(SCC(=O)NCc2cccs2)s1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID577334,Cc1ccc(C(=O)n2c(=S)nc3ccccn32)cc1
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID655037,CCS(=O)(=O)N1CCC(c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1
+,,,,0.0,,0.0,,0.0,0.0,0.0,,,0.0,,,,CID1263332,COc1cccc(NS(=O)(=O)c2cc(C)sc2C)c1
+,,,,,0.0,,,,,,,,,,,,CID3138651,COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)C1c1ccc(-c2ccc(Cl)cc2)o1
+,0.0,,,,,,,,,0.0,0.0,0.0,,,,,CID535511,c1cc2nnnn2nc1N1CCCCC1
+,,,,,,,,,,,,0.0,,,,,CID722997,O=C(Nc1ccccc1C(=O)N1CCOCC1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2906361,Cc1ccc(N2C(=O)CC(Sc3ccccc3C(=O)O)C2=O)cc1C
+,,,,,,,,,,,,,,0.0,,,CID896959,COC(=O)c1ccc(OCC(=O)c2cccc(OC)c2)cc1
+,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,,CID3240456,Cc1ccc(CNC(=O)CCS(=O)(=O)c2cccc3nsnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID2815156,Cn1c2c(c(=O)n(C)c1=O)C(c1ccc(Cl)cc1)C(C#N)=C(N)O2
+,,,,,,,,0.0,,0.0,,,,,,,CID2900092,O=C(NCc1ccccc1)C(=O)NCC1COc2ccccc2O1
+,,,0.0,,,,,,,,0.0,0.0,,,0.0,,CID2097372,COc1cc(OC)cc(C(=O)NCC(=O)N2CCC(C)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID1310944,CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
+,,0.0,0.0,0.0,0.0,,0.0,,,,,0.0,,,,,CID812029,CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2465947,CN(Cc1ccc(Cl)s1)C(=O)CCl
+,,,,,,,,,,,,,0.0,0.0,,,CID2332312,Cc1cc(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)no1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,,CID847872,O=C(Nc1cccc(N2CCCC2)c1)c1cccs1
+,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,,,,CID2560906,NS(=O)(=O)c1ccc(NC(=O)CSC2CCCCC2)cc1
+0.0,,,,0.0,,,,0.0,0.0,,,,,,,,CID663597,CC(C)CCn1c(N)c(S(=O)(=O)c2cccs2)c2nc3ccccc3nc21
+,,0.0,,0.0,,,,,,0.0,,,,,,,CID2998339,CCOC(=O)Cc1csc(SCC(=O)N2CCN(c3ccc(OC)cc3)CC2)n1
+,,,,,0.0,,,,,,,,,,,,CID843742,Cc1cccc(NC(=S)NNC(=O)c2csc3c2CCCC3)c1
+,0.0,,0.0,,,,0.0,,,0.0,0.0,,,,,0.0,CID651517,O=C(CCC(=O)N(CC(=O)NC1CCCC1)C1CCCC1)Nc1ccccn1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID650048,Cc1ccc2[nH]c(=O)c(CN(CCO)Cc3nnnn3CCc3ccccc3)cc2c1
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID2851364,CCCCn1c(NC(=O)c2ccccc2)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1340610,CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1
+,,,,,,,,,,,,0.0,,,,,CID5742536,C/C(N)=C(/C#N)C(=O)COc1ncnc2ccccc12
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID2979849,COc1ccc(Cl)c(Cn2c(NCCCN(C)C)nc3c2c(=O)n(C)c(=O)n3C)c1
+0.0,,,,,,0.0,,,,,,,,,,,CID1291888,O=C(CCc1nc(-c2ccc(Cl)cc2)no1)OCc1ccc(Br)cc1
+,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,CID2948590,CCOc1ccc(N(C(C)=O)C2C=CS(=O)(=O)C2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2371420,CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12
+,0.0,,,,,,,,,,,,,,,,CID653342,CCOc1nc(-c2ccccc2)ccc1-c1noc(-c2cccnc2)n1
+,,0.0,,,,,,,0.0,0.0,,,,,,,CID2939965,O=C(CSCc1ccccc1)NC1CCSC1=O
+,0.0,,0.0,,0.0,0.0,,,,,,,,,0.0,0.0,CID279866,O=C(Nc1ccccc1Cl)c1cnccn1
+,,0.0,,,0.0,,,,,,0.0,,,,0.0,,CID5296619,c1ccc2c(c1)NC1=NCN(Cc3ccc4c(c3)OCO4)CN12
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+,,,,,,,,,,,,,,0.0,,,CID3640169,Cc1ccccc1Nc1c(-c2cccnc2)nc2cccc(C)n12
+,,,,,,,0.0,,,,,,,,0.0,,CID2217921,CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc(=O)cc(C)[nH]1
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+,,,,,,,,0.0,,0.0,,0.0,,,0.0,,CID665765,O=C(OCc1cc2ccccc2[nH]c1=O)C1CCCO1
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+,,,0.0,,,,0.0,,,,0.0,,0.0,,0.0,,CID665768,CC1CCc2nc(N)c(C#N)c(-c3ccncc3)c2C1
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+0.0,,,,0.0,,,,,,,,,,,,,CID3239180,Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2ccc3c(c2)OCCO3)c1
+,,,,,,,0.0,,,,,,,,,0.0,CID2937492,Cc1ccc2c(c1)c1c(n2CC(O)CN2C(=O)CNC2=O)C(=O)CCC1
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+,,,,,,,0.0,,,,,,,,,,CID5309325,COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(OC)cc2)o1
+,,,,,,,,,,,0.0,,,,,,CID4460283,CCOC1(OCC)C(c2ccc(Cl)cc2)C(C#N)(C#N)C1(OCC)OCC
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+0.0,,,,0.0,,,,,,,,,,,,,CID3241791,COC(=O)c1ccc2c(c1)N(Cc1nc(-c3cccc(Cl)c3)oc1C)C(=O)C1CCCN21
+,0.0,,,,,,,,,,,,,,0.0,,CID667067,CN1CCN(Cc2nc3c([nH]2)c(=O)[nH]c(=O)n3C)CC1
+,,,,,,,,,0.0,,,,,0.0,,,CID691568,O=S(=O)(c1ccc(Cl)cc1)n1nnc2ccccc21
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+,,,,,,,,,,,,,,0.0,,,CID798472,COc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3181960,COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CSc2nnc(-c3ccccc3)n2C)c2ccc(F)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1120488,O=C1/C(=C/Nc2ccccc2NS(=O)(=O)c2ccccc2)CCc2ccccc21
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+,,,,,,,,,,,,,,,0.0,,CID5309378,Cc1cccc(C2CC(c3ccc(Br)cc3)N=C3N=C(N)NN32)c1
+,,,,,,,,,,,,,,,0.0,,CID3243172,O=C1Nc2cc(C(=O)N3CCOCC3)ccc2SC1N1CCOCC1
+,0.0,,,,,0.0,,,,,,,,,,,CID2533045,O=C(CCC(=O)c1cccs1)NCCCN1CCCC1=O
+0.0,,,,,,0.0,0.0,0.0,,0.0,,,,,0.0,,CID3242900,COCCN(CCOC)C(=O)c1sc2nc(-c3ccccc3)cn2c1C
+,,,,,,,,,,,,,0.0,,,,CID2616165,Cc1ccc(C)c(SCC(=O)Nc2cccnc2Cl)c1
+,,,0.0,,,,0.0,,,,,,,,,,CID651414,COCc1[nH]nc2c1C1(CCC3(CC1)OCCO3)C(C#N)=C(N)O2
+,,,,,0.0,,,,,,,,,,,,CID9550365,CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1CC
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+,,,,,0.0,,,,,,,,,,,,CID2273856,CCOc1ccccc1NC(=O)C(=O)NCc1ccncc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1252842,CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1
+,0.0,,,,,,,,,,,,,,,,CID659392,Cn1c(=O)c2nnn(/N=C(\c3ccccc3)C3CC3)c2n(C)c1=O
+0.0,,0.0,0.0,0.0,,,,,,,0.0,0.0,,,,0.0,CID1261048,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc(C)c(Cl)c3)CC2)cc1
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID661099,COC(=O)CC(=O)Cc1nc(N)nc(Nc2ccc(C)c(C)c2)n1
+,,,,,,,,,,,,0.0,,,,,CID3618799,O=C(NCc1ccccn1)C1CC(=O)N(C2CCCC2)C1
+0.0,0.0,,,,,,,,,,,,,,,,CID4220055,Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3C2c2ccco2)s1
+,,,,,,,0.0,,,,,,,,,,CID5309970,Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2c(=O)n(C)c3ccccc3c21
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+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID777225,CC1(C)CC(=O)C(=CNCC2CCNCC2)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2966063,O=C(Nc1cc([N+](=O)[O-])ccc1N1CCCC1)c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID889596,Cc1cccc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]
+,,,,,,,,,,,,,,0.0,,,CID710951,c1ccc2c(N3CCOCC3)nc(-c3ccncc3)nc2c1
+,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID652397,COCC(=O)NC1CC2CCCC(C1)N2Cc1ccccc1
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID5308325,COCCCNC(=O)CS(=O)Cc1nc(-c2ccccc2C)oc1C
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID1101754,O=C(Nc1nncs1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,,,,,,0.0,,,CID2549186,CCCCN(C(=O)CN1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
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+,,,,,,,0.0,,,,,,,,,,CID4092136,CCn1cc(SCC(=O)NCC2CCCO2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1217305,Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID972927,S=C(NCc1ccco1)N1CCOCC1
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+,,,,,,,,,,,0.0,,,,,,CID752304,NC(=O)C1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1
+,0.0,,,,,,,0.0,,,,,,,,,CID3243795,N#Cc1c(N)nc2c(c1-c1cccc(O)c1)CCCCCC2
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+,,,,,,,,1.0,,,0.0,,,,0.0,,CID577680,CC(=O)OC1CC(C)(C)N(OC(=O)c2ccc(N)cc2)C(C)(C)C1
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+,0.0,0.0,,,,,0.0,,,,,,,,,,CID3239856,CC(=O)c1c(C)[nH]c(C(=O)N2CCC3(CC2)OCCO3)c1C
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+,,0.0,,,,,,,0.0,,,,,,,,CID462695,COc1cc(OC)c2c(c1)OC(c1ccc(OC)c(OC)c1)C(O)C2=O
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+,,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID659321,CCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1
+,,0.0,,,0.0,,,,0.0,,,0.0,,,0.0,,CID3235654,CCOc1ccc2nc(C)cc(C(=O)O)c2c1
+,,,,,,,,,,,,,,,0.0,,CID5308696,COc1ccccc1NC(=O)C1=C(C)N=C2N=C(c3cccs3)NN2C1c1cccnc1
+,,,,,,0.0,,,,0.0,,,,,0.0,,CID1508818,COC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(O)cc12
+0.0,,,,,,,,,,,,,,,0.0,,CID5307339,O=C(CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,,,,,,,CID5726879,CCN(CC)C1=CC(=O)/C(=C/NN2CCN(Cc3cccc4ccccc34)CC2)C=C1
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+0.0,,,,,0.0,,,,,,,,,,,,CID2998484,CN(c1ccccc1)c1ccc(/C=c2/s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
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+,,0.0,,,,,0.0,,0.0,,0.0,0.0,,,,,CID2961811,O=C1CC(N2CCC(c3nc4ccccc4[nH]3)CC2)C(=O)N1Cc1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID1867755,COc1ccc(OCC(=O)Nc2nnc(-c3ccco3)s2)cc1
+,,,,,0.0,,,,,,,,,0.0,0.0,,CID750545,Cc1cc2c3nonc3ccc2n1-c1ccccc1
+,,,0.0,,,,0.0,,,0.0,0.0,0.0,,,,,CID960831,O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1ccco1
+,,,,,,,,0.0,,,,,,,,0.0,CID660935,CCOC(=O)c1c(C)oc2c(F)c(F)c(F)c(F)c2c1=O
+,,,,,,,,,0.0,,,,,,,,CID1207780,CCOC(=O)c1c(C)sc2c1N(C(=O)CCl)c1cc(Cl)ccc1S2
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+,,,0.0,,,,,,,,,0.0,,,,,CID664068,Cc1[nH]c(NCC2CCCO2)nc(=O)c1CCC(C)C
+,,,0.0,,,,,,1.0,,,,,,,,CID5742566,C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2C)s1
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+,,,,,,,,,0.0,,,,,,,,CID751468,CC(C)OC(=O)C1=C(N)N2C(=O)CSC2=C(C(=O)OC(C)C)C1
+,0.0,,,,,,,,,,,0.0,,0.0,,0.0,CID2199144,Cc1ccc(SCCCn2cncn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2244402,CCN(CC)C(=O)C(=O)N/N=C/c1cccc(Br)c1
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+,,,,,0.0,,,,,,,,,,,,CID5346527,CCC(=O)Nc1ccc(NC(=O)c2ccc(OCC(C)C)cc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2947156,O=S(=O)(NC1CC2CCC1C2)c1ccc(Br)s1
+0.0,0.0,,,,,,,0.0,,,0.0,0.0,0.0,0.0,0.0,,CID619926,Cc1nc2cc(C(=O)O)ccc2n1-c1ccccc1
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+,0.0,,,,,,,,,,,0.0,,,,,CID647201,CS(=O)(=O)N1CCC(C(=O)N2CCOCC2)CC1
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+,,,0.0,,,,,,,,,,,,,,CID2291950,Cn1c(SCCSc2nnc(-c3ccccc3)n2C)nnc1-c1ccccc1
+,,1.0,,,,,,,,,,,,,,,CID5307115,CCOc1ccc(-c2noc(CCC(=O)O)n2)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID1250092,Cn1cnnc1-c1cccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1
+,,,,0.0,,,,,,,,,,,,,CID576367,OCCN1CCOCCN(CCO)CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID2145859,CN(C)CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1
+,,,,,,,,,,,,,0.0,,,,CID3983570,Cc1nc2cc(C(=O)OCC(=O)NC3CCS(=O)(=O)C3)ccc2n1-c1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID2406187,O=C(Nc1nc(-c2ccccn2)cs1)c1cc2ccccc2o1
+,0.0,0.0,,,,,,,0.0,0.0,,,,,,,CID665415,CC1CCc2sc3nc(N4CCN(CCO)CC4)n4ncnc4c3c2C1
+,,,0.0,,,0.0,,,,,,,,,,,CID875760,Cc1ccc(SCC(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID9550760,O=C(CN1CCN(c2ccccc2)CC1)c1ccc2cc[nH]c2c1
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+,,,,,,0.0,,,,,,,,,,,CID4276496,CCCCN1C(=O)C2C(c3ccc(OC)cc3O)NC(CC(C)C)(C(=O)O)C2C1=O
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+,,,,,,,,,,,,,0.0,,,,CID2053121,O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)N1CCOCC1
+,,,,,,,,,,,,0.0,,,,0.0,CID5308162,Cc1csc(NC(=O)CSc2nnc(Cc3cccn3C)n2-c2ccc(F)cc2)n1
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+,,,,,,,,,,,0.0,,0.0,,,,CID745523,c1ccc(Cn2ncc3c(N4CCOCC4)ncnc32)cc1
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID935612,O=C(NCCc1ccncc1)c1ccccc1F
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+,,0.0,,,,0.0,,,,,,0.0,,,,,CID753611,Cc1cn2c(-c3cccnc3)nnc2s1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2965077,COC(=O)NC1(C(F)(F)F)NC(=O)N(C2CCCCC2)C1=O
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+,0.0,,,,,,,0.0,0.0,,,0.0,,0.0,,,CID2432301,Cc1noc(C)c1COC(=O)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,,0.0,,,CID849499,O=S1CC/C(=N\O)c2ccccc21
+,,,,,,,,,,0.0,,0.0,,,,,CID662838,CCCn1nc(NC(=O)CC(C)C)c2cc3ccccc3nc21
+,,,0.0,,,0.0,,,,,,,,,,,CID866912,COc1cccc(C(=O)OCn2nnc3ccccc3c2=O)c1OC
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID2369459,O=C(O)COc1ccc(Oc2ccccc2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID664598,Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)c(C)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID5308226,CCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(OC)c(OC)c1
+,,,,,,,,,0.0,0.0,,,,,,,CID2979613,CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1
+,,,0.0,,,0.0,0.0,,,,,,,0.0,,,CID2877644,c1ccc(N2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1
+,,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID649767,CCCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID870877,COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1
+,,,,0.0,,,,,,,,,,0.0,,,CID666161,O=C(O)C1CSC(CCc2ccccc2)N1
+0.0,,,,,,0.0,,0.0,0.0,0.0,,0.0,,,,,CID3149577,COc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID5390041,COCCOC(=O)C1=C(C)N=C2N=C(C)NN2C1c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID1112404,CCCc1ccc(OCC(=O)Nc2cc(S(=O)(=O)CC)ccc2O)cc1
+,,,,,,,,,,0.0,,,,,,,CID3228933,CCc1nc(SCC(=O)Nc2c(C)nn(C)c2C)c2cnn(-c3ccccc3)c2n1
+,,,,,0.0,0.0,,,,,,,,,0.0,,CID645792,CCc1nnc(NC(=O)CSc2nnc(-c3ccco3)n2C)s1
+,,,,,,,,0.0,,,,,,,,,CID2355899,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID2419979,O=C(Nc1nc(-c2cccs2)cs1)c1cccc(S(=O)(=O)N2CCCCCC2)c1
+,0.0,,,,,,,0.0,,,0.0,,,,0.0,,CID3243427,CN1C(=O)CSc2ccc(NC(=O)Nc3ccccn3)cc21
+,0.0,0.0,0.0,,,,,,,,0.0,,,,,0.0,CID646287,Cc1csc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(C)c(C)c2)n1
+,0.0,,0.0,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID889555,O=C(CSc1ncn(-c2ccccc2)n1)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1244740,O=S(=O)(c1ccccc1)c1nc(-c2ccccc2F)oc1NCc1cccnc1
+,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,,CID663866,CCCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCOc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID975530,CCOC(=O)c1cc(NC(=O)Nc2ccccn2)c(C)nc1C
+,,,,,,,,,,,,,0.0,,,,CID2079894,CCCC(=O)OCC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
+,,,0.0,,,0.0,,,,,,,,,,,CID664500,CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID3160574,COc1ccc(NC(=O)C2CC(=O)NC3=C2C(=O)CC(C)(C)C3)cc1
+,,,,,,,,,,0.0,,,,,,,CID1117963,Cc1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)no1
+,,,,,,,,,,,,,0.0,,,,CID1231090,Cc1ccc(/C=C2\S/C(=N/c3ccc(C(=O)O)cc3)N(C)C2=O)o1
+,,,0.0,,,,,,0.0,0.0,,,,,,,CID647926,COc1nc(OC)nc(N2CCC(C(=O)NCc3ccco3)CC2)n1
+,,,,,,,,,,,,,,0.0,,,CID3213512,Cc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1
+0.0,,,,,,0.0,,0.0,,,,0.0,,,,,CID894880,Cc1ccc(OCc2ccc(C(=O)N3CCOCC3)cc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID2356878,CCn1nc(C)cc1Nc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID664200,Cn1c(=O)c2c(nc(NCCNC(=O)c3ccco3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID647543,COC(=O)CCC(=O)Nc1sc2c(c1C#N)CCCC2
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID666492,Cc1nn2c(NCCCN3CCOCC3)c3c(nc2c1-c1ccccc1)CCC3
+0.0,,,,,,,,,,,,0.0,,,,,CID651191,O=C1OC(NC(=O)c2ccccc2)C(n2cc(CO)nn2)=C1Cl
+,,,,,,,,,,,,,,0.0,,,CID2290638,CCOC(=O)Cc1c(C)nc2c(-c3cccc(Br)c3)cnn2c1C
+,,,,,,,,,,,,,,0.0,,,CID2849115,CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1
+,,0.0,,,,,,,,,,,,,,,CID647551,COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1ccc(C)cc1C
+,,,,,,,,,,,,,0.0,,,,CID1418622,O=[N+]([O-])c1ccc(Oc2ccc(-c3cnc4ccccc4n3)cc2[N+](=O)[O-])cc1
+,,,,,,,,,,,,,,0.0,,,CID2285404,CC(C)(C)SCCNC(=O)c1ccccc1
+,,,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,,CID2540827,Cc1nc(COC(=O)c2ccc(CO)cc2)cs1
+,,,,,,0.0,0.0,0.0,0.0,,,,,,,0.0,CID2999130,Cc1cc(C(=O)OCc2nc3ccccc3s2)c(C)o1
+,,0.0,,,,,,,,,,,,,,,CID443955,CCOC(=O)C1=CC2(CC)CCCN3CCc4c(n1c1ccccc41)C32
+,0.0,,0.0,,,,,,0.0,,,,,,0.0,0.0,CID2999420,COC(=O)c1ccc(C2NC(=O)NC(C)=C2C(=O)N(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID837207,Cc1ccc(NC(=O)c2ccccc2)cc1OC(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID657601,Cc1cc(=O)nc(COc2ccccc2)[nH]1
+,,,,,,,0.0,,,,,,,,,,CID644943,O=C(NC1CCCCC1)NC1CC2CCC(C1)N2C(=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID202918,COc1ccc(Nc2ccccc2C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID755257,O=C(Cc1ccccc1[N+](=O)[O-])NCc1ccco1
+,,,,,,,,0.0,,,,,,,,,CID757298,Cc1ccccc1NC(=O)CC(O)(C(F)(F)F)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID2240759,CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl
+,,0.0,,,,,,,,,,,,,,0.0,CID3239553,COc1ccc(CCNC(=O)CCN2C(=O)C3CC=CCC3C2=O)cc1OC
+,,,,,,,0.0,,,,,,0.0,,,,CID3239325,COc1ccccc1CNC(=O)CNC(=O)Cn1cnc2ccccc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID2267260,CC(=O)Nc1ccc(S(=O)(=O)NC2=NC(=O)/C(=C\c3ccco3)S2)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID2549953,c1nc(NCC2(N3CCOCC3)CCCCC2)c2ccsc2n1
+,,,,,0.0,,,,,,,,,,,,CID2274097,CC(=O)Oc1ccc(-c2cccc(NC(=O)c3ccc4c(c3)Cc3ccccc3-4)c2)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID734424,CC(C)N1C(=O)c2ccc(C(=O)O)cc2C1=O
+,,0.0,,,,,,,,,,0.0,,0.0,0.0,,CID662104,COC(=O)c1c(C)oc2ccc(OC(=O)N3CCOCC3)cc12
+,,,,,,,,,,,,,,0.0,,,CID2323522,COc1ccc(/C=N/n2cnn(Cc3ccccc3Cl)c2=S)cc1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID2974073,CC1Cn2c(nnc2C23CC4CC(CC(C4)C2)C3)S1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID2984703,CCOC(=O)c1ccc(N2C(=O)CC(NC3CCN(C(=O)c4cccc(Cl)c4)CC3)C2=O)cc1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID665932,Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1
+,,,,,,,,,,,,,0.0,,,,CID2537513,O=C(NCCc1c[nH]c2ccccc12)c1cnccn1
+0.0,,,,,,,,,,,,,,,0.0,,CID3241961,COc1cc(C(=O)NCCC(=O)NCCCN2CCCCC2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID3432739,COCC(C)n1c(C)cc(C(=O)COc2ccc(C)nc2[N+](=O)[O-])c1C
+,,,,0.0,,,,,,,,,,,,,CID4651264,CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(c1=O)SC(C)C2
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID5389988,Cc1ccc(C2C3=C(NN/C3=C3\C=CC=CC3=O)C(=O)N2Cc2ccncc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2062236,COc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1OC
+,,0.0,,,,,,,,,,,0.0,,,,CID3243195,Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(S(=O)(=O)c4c(C)[nH]c(=O)[nH]c4=O)C3)CC2)c1
+,0.0,,0.0,,,,,,,,0.0,,,,0.0,,CID1246556,NS(=O)(=O)c1ccc(CCNC(=O)c2cccnc2)cc1
+,,0.0,,,,,,0.0,,,,0.0,,,,,CID655411,COc1cccc2cc(C(=O)Nc3ccccc3C(=O)N3CCOCC3)c(=O)oc12
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+0.0,,,,,,,,,,,0.0,,,,,,CID2054582,C=CCNC(=O)c1cccc(Br)c1
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+,0.0,,,,,,,,,,,,,,,,CID3333,CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl
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+,,,,,0.0,,,,,,,,,,,,CID875220,O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(F)c([N+](=O)[O-])c1
+,0.0,,,0.0,,,,0.0,0.0,0.0,,,,,0.0,,CID1504192,CS(=O)(=O)c1ccc2nc(NC(=O)CN3CCN(Cc4ccccc4)CC3)sc2c1
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+,0.0,,,0.0,,,,,0.0,0.0,,,0.0,,,,CID1160940,O=C(Sc1nnc(-c2ccccc2)o1)N1c2ccccc2Sc2ccccc21
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+,,,,,,,0.0,,,,,,,,,0.0,CID3241776,COC(=O)C1CCC(C)(C(=O)Nc2ccccc2)C1(C)C
+,,,,,,,,,,0.0,,,,,,,CID1077698,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3cccnc3)CC2)cc1
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+,0.0,,,,,,,,,,0.0,,,,,,CID661897,CCc1ccc(-c2cn3nc(C)c(C)nc3n2)cc1
+0.0,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID665253,C=CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1cccc(C)c1
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+,0.0,,,,,,0.0,,,,,,,,,,CID644414,N#Cc1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N
+0.0,,,,,,,,,,,,,,,0.0,,CID5308931,COc1ccc(OC)c(CNC(=O)CCc2nc(-c3cccs3)no2)c1
+,,,,,,,,,,,,,0.0,,,,CID3666062,CCCNC1=NC(=O)C(CC(=O)NCCc2ccc(OC)c(OC)c2)S1
+,,0.0,,0.0,,,0.0,,,,0.0,,,0.0,0.0,0.0,CID3240689,CCC1Sc2ccccc2N(CC(=O)NC2CCCC2)C1=O
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+,,,,,,,,,,,,,,0.0,,,CID1225832,Cc1nn(CC(=O)Nc2ccc(Cl)cn2)c(C)c1[N+](=O)[O-]
+,,,,0.0,,,,,,,,,,,,,CID646894,Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccc4c(c3)OCCO4)cc12
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+0.0,0.0,,,,,0.0,,,,,,,,0.0,,,CID667194,Cn1c(=O)c2[nH]c(CNCc3ccccc3Cl)nc2n(C)c1=O
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+,,0.0,,0.0,,,,,,,,0.0,,0.0,0.0,,CID652249,CN(C(=O)c1ccncc1)c1nnc(-c2cnccn2)s1
+,,,,,,,,,,,,,0.0,,,,CID2864614,COc1ccc2c(c1OC)C(=O)OC2Nc1nc(-c2ccccc2)cs1
+,,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID2952920,O=C(NC1CCS(=O)(=O)C1)c1cccc(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,,0.0,0.0,,,,,,CID1015484,Cc1cccc(OCC(=O)Nc2nonc2NC(=O)COc2cccc(C)c2)c1
+0.0,,0.0,,,,,,,,0.0,,0.0,,,,0.0,CID3237467,Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2cccnc2)CC1
+,,,0.0,,,,0.0,,,,0.0,,,,0.0,,CID2957684,CCCCC(=O)Nc1ccc(C(=O)NCCCn2ccnc2)cc1
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+,,,,,,,,0.0,,0.0,,,,,,,CID1253910,Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Br)cc2)sc1C
+,0.0,,,,,,,0.0,0.0,,,,,0.0,0.0,0.0,CID987756,Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)cc1
+,,,,,,,,,,0.0,,,,,,,CID6538203,CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C/NCC(C)C
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+,,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID3241047,O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID2139730,CCOC(=O)/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2494532,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ncccn1
+0.0,,,,,,0.0,,,,0.0,,,,0.0,,0.0,CID660128,COC(=O)c1cc(Br)c(=O)n(Cc2ccc3c(c2)OCO3)c1
+,0.0,,,,,0.0,,,,,0.0,,,,,,CID646319,O=C(Cn1nnc(-c2ccccc2)n1)Nc1ccccc1N1CCOCC1
+,,,,,,,0.0,,,0.0,,,,,,,CID5386389,CC1CN2C(=NN/C2=C2/C=CC=CC2=O)S1
+,,,,,,,,,,,0.0,,,,,,CID826184,CC(C)Oc1ccc(Cc2cnc(N)nc2N)cc1
+,,,,,,,,,,0.0,,,,,,,CID659229,Fc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1
+,0.0,,,0.0,,,0.0,,,0.0,,,0.0,,,,CID741972,CC1(C)CC(=O)c2sc(NC(=O)CN3CCCCC3)nc2C1
+,0.0,,,,,0.0,,,,,,,,,0.0,0.0,CID725467,CCOC(=O)c1cnc2ccc(Cl)cc2c1N1CCN(C)CC1
+,,,,,,,,,,,,,,,,0.0,CID2790354,CC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1
+,0.0,,,,,0.0,0.0,,,0.0,,0.0,,,,0.0,CID650726,O=C(Nc1ccncc1)Nc1ccccn1
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+,0.0,,,,,,0.0,,,,,,,,,,CID728578,CCOC(=O)CCc1n[nH]c(=O)[nH]c1=O
+,0.0,,,0.0,,,,,,,,,,,,,CID3245930,COc1ccc(CCNC(=O)CCNS(=O)(=O)c2cccc3nsnc23)cc1OC
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+,,0.0,,,,,,,,,,0.0,,,,,CID3237326,CCCS(=O)(=O)N1CCCC(C(=O)NCCc2ccc(OC)c(OC)c2)C1
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+,,,,,,,,,0.0,,0.0,,,,,,CID2850258,Cc1ccc(C(NC(N)=O)c2ccccc2)cc1
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+,0.0,0.0,,,,,,,,,,,,,0.0,,CID5102678,CCOC(=O)C(C)Sc1nnc(Cc2cc(=O)[nH]c(=O)[nH]2)n1-c1cccc(OC)c1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID3694793,CN(C)c1ccc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)o2)cc1
+,0.0,,,,,0.0,,,,,,0.0,0.0,,,,CID2082094,O=S(=O)(Nc1cccc2ncccc12)c1cccs1
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+0.0,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,CID665978,CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccccc4)ccc3n2C)CC1
+,,,0.0,,,,0.0,,,0.0,,,,,0.0,,CID650699,O=C(Nc1ccccc1)Nc1cccc2cccnc12
+,,,,,,,,,,,,,,0.0,,,CID671632,Cc1cc([N+](=O)[O-])nn1CC(=O)N1CCN(Cc2ccccc2)CC1
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID652621,CCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID652034,COc1ccc(Cn2nnnc2CN2CCc3ccccc32)cc1
+0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,CID658713,CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(C)cc2)nc1=O
+,,,,,0.0,,,,,,,,,,,,CID1335223,CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccccn3)C2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID9550453,Cc1oc(-c2ccc(Cl)cc2)nc1CS(=O)CC(=O)NCc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID972391,S=C(NCc1ccco1)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2451052,CSc1ccc(Cl)c(C(=O)NC2CCCC2)c1
+,,,0.0,0.0,,0.0,,0.0,,,,,0.0,,,0.0,CID1295659,CCNS(=O)(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1
+,,,0.0,,0.0,,0.0,,,,0.0,,,,0.0,,CID667049,CCCCn1cnc2cc(NCc3cccc(OC)c3O)ccc21
+0.0,0.0,0.0,,0.0,,,,,,0.0,,0.0,,0.0,0.0,,CID985316,COc1ccc(CCNC(=O)CSc2nnnn2-c2ccccc2)cc1
+0.0,0.0,,,0.0,,0.0,,,,,,,,,,,CID2997724,O=C(NCCOc1ccccc1)C1CCCN1C(=O)c1cccs1
+,,,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3239095,CN(CC(=O)NCc1ccco1)S(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID2116374,COc1ccc(/C=N/OCC(=O)Nc2ccc3c(c2)OCO3)c(OC)c1
+0.0,,,0.0,,,,,0.0,0.0,0.0,,,,,0.0,,CID1248060,C=CCn1c(Cc2csc(N)n2)nnc1SCC(=O)OCC
+,,,,,,,,,,,,,0.0,,,,CID945077,COc1ccc(CCNC(=O)c2csc3c2CCCC3)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2788293,CCOC(=O)c1c(NC(=O)C2COc3ccccc3O2)sc(C(C)=O)c1C
+0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,0.0,,,,,CID2957405,CCCOc1ccc(N2CC(C(=O)Nc3ccccc3C(=O)NCc3ccco3)CC2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1484912,C/C(=N\NC(=O)c1sccc1-n1cccc1)c1cccs1
+,0.0,,,,,,,,,,0.0,,,,,,CID3238131,Cc1ccc(-n2c(=O)cc(NCc3cccnc3)[nH]c2=O)cc1
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID346046,COc1ccc(C(=O)Nc2cccc(C)c2)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5307931,CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2998582,COc1ccc(CCN2C(=O)CC(N3CCN(S(=O)(=O)c4ccccc4)CC3)C2=O)cc1
+,,,,,,0.0,,,,,,,,,,,CID1114153,COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1OC
+0.0,,0.0,,0.0,0.0,,,,,,,,,,,,CID3239331,Cc1cccc(N2CCN(C(=O)c3ccc(N4CCCC4=O)cc3)CC2C)c1
+,,,,,,,,0.0,,,0.0,,,,0.0,,CID711845,O=C(O)C1CCN(C(=O)c2scc3c2OCCO3)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID2943223,CCC(C)NC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O
+,,0.0,,0.0,,,0.0,,,0.0,,,,,,0.0,CID3239659,CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(-c4ccc(OC)cc4)c(=S)[nH]c3c2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID655986,CCOC(=O)CSc1cc(C)nc(NC(C)=O)n1
+,,,,,,,,,,,,,0.0,,,,CID2666609,O=C(Nc1nccs1)c1cc(Cl)ccc1[N+](=O)[O-]
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID662353,Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2C)cc1
+,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,,CID2569075,CCCc1cc(=O)nc(SCC(=O)c2cc(C)n(CCOC)c2C)[nH]1
+,0.0,,,0.0,,,,0.0,,0.0,,,,,,,CID3240258,COc1ccc(N2C(=O)CCC(C(=O)Nc3cccc(C)n3)C2c2ccc(OC)c(OC)c2)cc1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID1295087,CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(N2CCCC2)s1
+,,,,,,,,,0.0,,,,,,0.0,,CID655309,CN(C)Cc1nc(=O)c2c([nH]1)-c1ccccc1CC21CCCCC1
+,,,,,,0.0,,0.0,0.0,,,,,,0.0,,CID2842480,O=C(C1Cc2ccccc2O1)N1CCCCC1
+,,,,,,,,0.0,,,,,,,,,CID1570060,Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CCCOc3ccc(Cl)cc3Cl)cc2)c1C
+,0.0,0.0,0.0,,,0.0,0.0,,,,,,,,0.0,,CID3238145,CCN1CCCC1CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
+,,,0.0,,0.0,,,,,,0.0,0.0,,,,,CID712174,Cn1nnnc1SCc1cc(=O)[nH]c2ccccc12
+,,,,,,,,,0.0,,,,,,,,CID2967215,COC(=O)C1=C(C)NC(=O)C1(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F
+,0.0,,,,,,,,,,,,,,,,CID5307221,O=C(NCCN1C(=O)C2C3C=CC(C3)C2C1=O)Nc1ccccc1
+0.0,,,,0.0,,,0.0,,,,,,,,,,CID2828669,COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)c(OC)c1OC
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3242655,COc1ccc(Br)cc1CNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,0.0,,,,0.0,,,,,,0.0,,0.0,,,CID800429,CC1(C)Cc2nc(N3CCOCC3)c(C#N)cc2CO1
+,,,,,,,,,,,,,0.0,,,,CID2376105,Cc1cc(NC(=S)NC(=O)C2CC2)ccc1Br
+,,,,0.0,,,,,,0.0,,,,,0.0,,CID658945,Cc1cccc2nc(CSc3nnnn3-c3ccccc3)cn12
+,,,,,,,,,0.0,,,,,,,,CID645779,Cn1nnnc1SCC(=O)N1CCc2ccccc2C1
+,,,,,,,,,,,,,,0.0,,,CID2180260,COc1ccc(N2C(=O)/C(=C/C=C/c3ccccc3[N+](=O)[O-])C(=O)NC2=S)cc1
+,,0.0,0.0,0.0,,0.0,,,,,,,,,,0.0,CID2119296,COc1ccc(C(=O)N2CCCN(C)CC2)cc1S(=O)(=O)N1CCCc2ccccc21
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+,0.0,,,,,,,,,,,,,,,,CID5742560,CCCn1c(=O)c2ccccc2n2c(SCC(=O)/C(C#N)=C(\C)N)nnc12
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID5032842,CC(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1N
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+,0.0,,,0.0,,,,,,,,,,,,,CID687924,c1ccc(-c2nc(-n3ccnc3)nc(-n3ccnc3)n2)cc1
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+,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,CID2999036,Cc1csc(SCc2ccccc2C(=O)O)n1
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+,0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,CID649595,CC/N=C1\SC(C(=O)Nc2cccc(C(=O)O)c2)CC(=O)N1CC
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+0.0,,,,,,,,,,,,0.0,,,,,CID3237038,CCc1nn(CC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(=O)c2cc3occc3n12
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+,,,,,,,,0.0,,,,,,0.0,,,CID2915483,CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(OCc3ccccc3)nn2)n1
+,,,,,,,,,,,0.0,,,,,,CID733899,CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C
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+,,,,,,,,,,,,,0.0,,,,CID3117447,CC1=NC(=O)C(/N=N/c2ccccc2)N1c1ccccc1
+,,,0.0,0.0,,,,,,0.0,,0.0,,,,,CID2886110,CC1=C(C(=O)N2CCCCC2)C(c2cccs2)NC(=O)N1
+,,,,,,,,,,,,,0.0,0.0,,,CID1829480,O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C/c1cccs1
+,0.0,0.0,,,0.0,,,,1.0,,,0.0,,0.0,0.0,,CID3235898,COc1ccc(Cl)cc1NC(=O)c1ocnc1C
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3245220,CCOC(=O)CNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,,CID2265207,Cn1nnnc1SCc1nc2ccccc2[nH]1
+,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID3241544,CC1Cc2nc(SCC(=O)Nc3ccccc3F)n(C)c(=O)c2S1
+,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID2981009,S=c1[nH]nc(-c2ccccc2)n1CC1CCCO1
+,,,,,,,,,,,,,0.0,,,,CID1416706,COc1ccc(NC(=O)/C=C2\SC(=O)NC2=O)cc1
+,,,,,,,,,,,,,,,0.0,,CID2880064,O=C(O)c1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl
+,,,0.0,,,,,,,,,,,,,0.0,CID3899,Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1
+,,,,,,,,0.0,,,,,,,,0.0,CID885723,COCC(=O)Nc1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,,,0.0,,CID2349366,CCOc1ccccc1N1CCN(C(=O)c2cc3c(s2)CCC3)CC1
+,,,,,0.0,,,,,,,,,,,,CID1362075,CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(OC)cc4)c3)nc2c1
+,,,,,,,,,0.0,,,,,,,,CID2846152,CC1CN(CCc2ccccc2)CC(C)O1
+,,,,,,,,,,,,,,0.0,,,CID891018,COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(OC)c1
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID3240264,CC1Cc2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)n(C)c(=O)c2S1
+,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0,0.0,,CID2064549,c1cncc(-c2nnc(SCc3nc4ccccc4[nH]3)o2)c1
+,,,,,,,,,,,,,,,0.0,,CID874753,CCCC(=O)c1c(C)c2ccccc2n1C
+,,,,,,,,,,0.0,,,,,,,CID1090864,CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,,0.0,,,,,,,,,,,,0.0,,CID751828,O=c1nc(CN2CCc3ccccc3C2)[nH]c2ccccc12
+,,,,,,,,0.0,,0.0,,,,,,0.0,CID661566,Brc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)o1
+,,,0.0,,,0.0,,,0.0,,,,,,,,CID1562700,CCCCOC(=O)Nc1nc(CC(=O)OCC)cs1
+0.0,,,,,,0.0,,,,,,,,,,,CID649516,Cc1ccc(NCc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c(C)c1
+0.0,,,,,,,,,,,,,,,,,CID5309819,COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)/c(=N/c2ccccc2)s1
+,0.0,,0.0,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID2971923,O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1ccc2c(c1)OCCO2
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID5307769,O=C1c2ccccc2C(Nc2ccc(F)c(Cl)c2)N1c1ccccn1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID778503,Clc1ccc(NCn2cncn2)nc1
+0.0,0.0,0.0,,0.0,,,,,,,,,0.0,,,,CID1046062,C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID5680495,CCOc1ccc(N2C(=O)/C(=C\NNc3nc(C)cc(C)n3)c3ccccc3C2=O)cc1
+,,,0.0,,,0.0,0.0,,0.0,,,,,,,0.0,CID649927,CC(C)(C)NC(=O)CN1CCC(O)(c2ccccc2)CC1
+,,,,,,0.0,,0.0,,,,,,,,,CID2300988,O=C(NCc1ccco1)C1CCN(C(=O)Cc2ccccc2)CC1
+,,,,,,,,,,,,,,,,0.0,CID5309341,CCCc1cc(C(=O)Nc2sc(C(C)=O)c(C)c2C(=O)OCC)no1
+0.0,,,,,0.0,,0.0,,,,,,,,,,CID3243860,COc1ccc(OC)c(-c2cc(C(=O)N3CCc4ccccc4C3)no2)c1
+,,,,0.0,0.0,0.0,,,,,,,0.0,,,0.0,CID649173,CCCn1c(CCC(=O)O)ccc1-c1cccs1
+,,,0.0,,,,0.0,,,,,,,,,,CID666574,CCCc1cc(=O)n2[nH]c(NCc3ccccc3F)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID2383064,O=C(COC(=O)/C=C/c1cccs1)Nc1nc(-c2ccccc2)cs1
+,,,,,,,,,,,0.0,,0.0,,,,CID828252,CCCc1nc2ccccc2c(=O)n1-c1ccc(OC)cc1
+,,,,0.0,0.0,,,,,,,,,,0.0,,CID3245807,O=C(Nc1ccccn1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,0.0,0.0,,,,,,,,,0.0,,,,,,CID665701,Cc1ccc2c(c1)c1ncnc(N3CCc4ccccc4C3)c1n2C
+,,0.0,,,,0.0,,,,,,,0.0,,,0.0,CID661447,O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID659503,Nc1cc(N)c(OCC(F)(F)F)cc1OCC(F)(F)F
+,,,,,,,,,,,,,,,0.0,,CID650230,COc1cc(NC(=O)c2cccc(Cl)c2)c(OC)cc1NC(=O)CN1CCOCC1
+,,,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,CID658989,COc1cc(Cn2c(N)c(C#N)c3nc4ccccc4nc32)cc(OC)c1
+,0.0,0.0,,,,,,0.0,,,,,,0.0,,0.0,CID650445,COc1ccc2nc(N3CCC(O)CC3)c(C#N)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID9551155,O=C(NCc1ccccn1)C1CC(c2ccc(F)cc2)=NO1
+0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,0.0,,CID645900,Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccco1
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID4079117,O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID859571,COc1ccc(-c2nnc(SC)o2)c(OC)c1
+,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID644597,O=C(CSc1n[nH]c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)n1)Nc1nccs1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID654955,CS(=O)(=O)c1sc2nc(-c3cccs3)cc(-c3ccccc3)c2c1N
+,,,,,,0.0,,,,,,,,,,,CID2200612,COCCn1c(C)cc(C(=O)CSc2nc(C)cc(C)c2C#N)c1C
+,,,,,,,,,,,,,0.0,0.0,,,CID815885,COc1ccc(C(=O)NC(=S)Nc2cccnc2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2273796,Cc1cc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(C)n1C
+,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID3239788,CCOC(=O)c1sc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID9551000,COc1ccc(OC)c(C2=NOC(C(=O)N3CCN(c4ccccc4)CC3)C2)c1
+,,0.0,0.0,,,,0.0,,0.0,,0.0,,,,,,CID575109,O=C(Nc1cccc2ccccc12)N1CCOCC1
+,,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID2930030,CCC(C(=O)N1CC2(C)CC1CC(C)(C)C2)N1C(=O)c2ccccc2C1=O
+,,,,,,,,,,,0.0,,,,,,CID2237362,Cc1cc(-c2ccccc2)nc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1
+0.0,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID3239526,CCOC(=O)C(C)n1cnc2c(cnn2-c2ccc(Cl)cc2)c1=O
+0.0,0.0,,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,CID3243923,O=C(Nc1cccnc1)c1cc(-c2cccs2)on1
+,,,,,,,,,,,,,0.0,,,,CID1550527,CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCN(C)C2
+,0.0,,,0.0,,,0.0,,0.0,,,0.0,,,,,CID3240029,O=C(NCC1CCCO1)C1c2ccccc2C(=O)N1C1CCCCCC1
+0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,0.0,CID664649,CCc1nnc(NC(=O)CCC(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)s1
+,,,,,,,,0.0,,,,,0.0,,,0.0,CID2962151,COC(=O)C1=C(C)NC(=O)C1(Nc1ccc(Cl)cn1)C(F)(F)F
+,0.0,,,,,,,,,,,,0.0,,0.0,0.0,CID646835,COc1ccccc1C(=O)N1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID740850,COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID6211917,CC(NC(=O)/C=C/c1cnc2ccccc2n1)C12CC3CC(CC(C3)C1)C2
+,,,,,0.0,,,,,,,,,,,,CID2184195,COc1cccc(NC(=O)COc2cc(C)c(Cl)c(C)c2)c1
+,,,,,,,,,,,,0.0,,,,,CID5307153,COCCNC(=O)Cn1cc2c(n1)CCC(C)C2
+,,,,,,,,0.0,,,0.0,,,,,,CID758821,O=C(Cc1c(O)[nH]c2ccccc2c1=O)NCc1ccccc1
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+0.0,,0.0,,,,,0.0,,,,,,,,,0.0,CID653573,CCCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID646512,Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cn1
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+,0.0,,,0.0,,,,,,,,0.0,,,,,CID3238661,CC(C)Sc1nc2c(c(=O)n1-c1ccc(F)cc1)SCC2
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+,,,,,,,,,,,,,0.0,,,,CID1718171,CCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccco2)c1
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+,,,,,,,,,,,,,,0.0,,,CID6051,Nc1ccc(/N=N/c2ccccc2)cc1
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+,,0.0,,,,0.0,0.0,0.0,,,,,,,0.0,,CID659351,C/C(NCc1cccnc1)=C(\C#N)C(=O)NCc1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID647586,COC(=O)c1ccc(OC)c(CSc2nnc(COc3ccc(OC)cc3)o2)c1
+,,,,,,,,,,,0.0,,,,,,CID5741775,CCOC(=O)C1=CC2=NC(C)CC(C(F)(F)C(F)(F)F)N2N1
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+,0.0,0.0,,0.0,0.0,0.0,,0.0,,,,0.0,,,0.0,0.0,CID2997776,CC(C)C(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2538367,Cc1c(-c2cc[n+]([O-])cc2)oc2ccc(Br)cc2c1=O
+,,0.0,,,,,0.0,0.0,,,,,,,0.0,,CID565346,CCOC(=O)Cc1nnc(NC(=O)c2ccco2)s1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID692194,O=C(Nc1ccc2c(c1)OCO2)c1cccs1
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+,,,,,0.0,,,,,,,,,,0.0,,CID1100108,CCOc1ccccc1N(CC(=O)Nc1ccccc1C(=O)OC)S(C)(=O)=O
+,,,,,,,,,,,,,,,0.0,,CID666419,COc1ccc(N2CCN(Cc3nc(N)nc(Nc4ccc(C)c(Cl)c4)n3)CC2)cc1
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+,,,0.0,,,,,,0.0,0.0,0.0,,,,,,CID760979,Cc1oc(-c2ccccc2)cc1C(N)=O
+,,,,,,,,,,,,,0.0,,,,CID1508621,O=C(NCc1ccc(F)cc1)c1nc(-c2cccs2)no1
+,,,,,,,,,0.0,,,,,,,,CID1174008,CCC(=O)Nc1ccc2nc(C)n(Cc3ccccc3Cl)c(=O)c2c1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,,CID649551,OCCN1C2CCC1CC(O)(c1ccc(F)cc1)C2
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+,0.0,0.0,,,,,,,,,,,,,,,CID2274702,COc1cccc(OCCOc2cccc(/C=N/n3cnnc3)c2)c1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID736901,COc1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C(=O)C2
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+,0.0,,,,,,,,,,,,,,0.0,,CID655941,Cc1cc(C)nc(SCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)n1
+,,,,,,,,,,,,,0.0,,,,CID2326681,Cc1nc(C)c(C(=O)NNS(=O)(=O)c2ccc3ccccc3c2)s1
+,0.0,,,,,,,,,,0.0,,,,,,CID655909,Cn1c(=O)c2c(nc(CN3CCOCC3)n2CCCc2ccccc2)n(C)c1=O
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+,,,,,,,,,,,,,,0.0,,,CID825194,CC(=O)c1c(O)n(-c2ccccc2)c(C(C)C)cc1=O
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+,,,,,,,,,,0.0,0.0,,,,,,CID891984,Cc1ccc(NC(=O)C2CCN(S(C)(=O)=O)CC2)cc1C
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID3242240,COCCN1Cc2cccc(C(=O)NC3CCCCCC3)c2C1=O
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID3237245,O=C(NC1CCN(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID2386763,CNS(=O)(=O)c1cccc(C(=O)OCc2csc(-c3ccccc3)n2)c1
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+,,,,,0.0,,,,,,,,,,,,CID832836,CC(C)/C(=N\NC(=O)Nc1ccccc1)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID734284,COc1ccc(-c2nnc(SCc3cccc(C)c3)n2N)cc1
+0.0,,,,,,,,,,0.0,,,,,0.0,0.0,CID2598892,Cc1cccc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c1
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+,,,,,,,,,,,,,,0.0,,,CID879019,Cc1nc2c(-c3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID663089,CC(C)CCn1c(N2CCN(c3cccc(Cl)c3)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,0.0,,,,,,,CID6509369,CCOC1=C/C(=C/c2c(-c3ccccc3)[nH]n(-c3nc(-c4ccc(Br)cc4)cs3)c2=O)C=CC1=O
+,,,0.0,,,,,,,,,,,,0.0,,CID660108,Cc1cccc(-n2ncc3c(N)ncnc32)c1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID3529029,O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nccs1
+,,,,,,,,,,,,,,0.0,,,CID1148040,O=C(COc1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
+,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,CID662411,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C(=O)NCc3ccco3)C(C)C)CC2)cc1
+,,,,,0.0,0.0,,,,,0.0,,,,,,CID579876,CCCNC1=C(C)C(=O)CC1
+,,,,,,,,,,,,,,0.0,,,CID2478567,CCOC(=O)c1sc2nc(CSc3ccccc3Cl)[nH]c(=O)c2c1C
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID2228009,COCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID1473944,O=[N+]([O-])/C(=C\Nc1ccccc1)S(=O)(=O)c1ccccc1
+,,,0.0,,,,,0.0,,,0.0,,,,,,CID5307402,CCOC(=O)N1CCC(NC(=O)COc2cc(=O)n(C)c3ccccc23)CC1
+,,,,,,,,,,,,,,0.0,,,CID901836,Cc1cccc(COc2ncnc3nc[nH]c23)c1
+0.0,,0.0,0.0,0.0,,,0.0,,0.0,,,,,0.0,,,CID2927784,Cc1ccc(N2C(=O)CC(N3CCN(C4CCc5ccccc5C4)CC3)C2=O)cc1
+,,,,0.0,,,,,0.0,0.0,,,,,,0.0,CID3241026,Cc1ccc(Cn2ccc(NC(=O)c3c(-c4ccccc4Cl)noc3C)n2)cc1
+0.0,,0.0,,,,,,0.0,0.0,,,,,,,0.0,CID649315,Cc1ccccc1NC(=O)CN1CCC(NC(=O)Nc2ccccc2)CC1
+0.0,,,,,,,,,,,,,,,0.0,,CID2952136,CC(C)N1CC(C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O
+,,,,,,0.0,,,,,,,,,,,CID3239455,CCCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1
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+,0.0,,,,,,,,,,,,,,0.0,,CID5108441,COc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NC2CCCCC2)c1
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+,0.0,,,0.0,,,,,,,,,,,,0.0,CID2928619,CC1(C)CC2CC(C)(CN2C(=O)CCCN2C(=O)c3ccccc3C2=O)C1
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+,0.0,0.0,0.0,,0.0,,,0.0,,,,,,,,,CID971055,Cn1nc(C(=O)NC2CCCCC2)c2ccccc2c1=O
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+,,,,,0.0,,,,,,,,,,,,CID5349641,Cc1oc2c(CN3CC4(C)CC3CC(C)(C)C4)c(O)ccc2c(=O)c1-c1nc2ccccc2s1
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+,,,,,,,,,,,,,,0.0,,,CID4000881,CC(C)CC(NC(N)=O)C(=O)Nc1ccc(Oc2ccccc2)cc1
+0.0,,,0.0,,,,,,0.0,,0.0,0.0,,,,,CID3235769,Cc1cc(NC(=O)c2cc(-c3ccco3)on2)n(-c2ccccc2)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID3243995,CN1CCN(CCCNc2nc3ccccc3c3nc(-c4ccccc4)nn23)CC1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID573774,O=C(NCc1ccco1)c1cccs1
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+,,,,,,,0.0,,,,,,,,,,CID657880,Cn1c(NCCCO)nc2c1c(=O)n(Cc1ccccc1F)c(=O)n2C
+,,,0.0,,,,,,,,,,,,,,CID2956908,COC(=O)c1c(NC(=O)CC2NCCNC2=O)sc2c1CCCC2
+,,,,,,,,,,,,,,0.0,,,CID867539,CCn1c(O)c(C(=O)NC(C)C)c(=O)c2ccccc21
+,0.0,,0.0,,0.0,,,,0.0,,,0.0,,,0.0,,CID2251566,Cc1cccc(OCCCCCNCCO)c1
+,,,,,,,,,,,0.0,,,,,,CID3812960,O=C1CN=C(c2ccccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1
+,,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,CID786537,O=C(NCS(=O)(=O)c1ccccc1)c1ccccc1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID659435,Cn1c(=O)[nH]c(=O)c2c1nc(NCc1ccco1)n2CCCc1ccccc1
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+,,,,,,,,,,0.0,,0.0,,0.0,,,CID1258283,Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3oc(=O)ccc3c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID875164,O=C(O)COc1ccc2ccc(=O)oc2c1
+,,,,,,,,,,,,,,,0.0,,CID2958833,O=C1CC(N(Cc2ccco2)C(=O)Nc2ccc(F)cc2)C(=O)N1c1ccc(F)cc1
+,,0.0,,,0.0,,0.0,0.0,,,,,,,,,CID654937,COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)NCc2ccco2)c(OC)c1
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+,,,,,,0.0,0.0,0.0,,,,,,,,,CID2999546,Cc1ccc(CNC(=O)COC(=O)c2c(C)noc2C)cc1
+0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,,,,0.0,CID3238986,COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1
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+0.0,,,,,,0.0,,0.0,,,0.0,,,0.0,,0.0,CID661369,COC(=O)c1oc2ccc(Br)cc2c1NC(=O)c1ccccc1
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+,,,,,0.0,,,,,0.0,,,,,,,CID2571527,CC(=O)Nc1ccc(OCC(=O)c2cc(C)ccc2C)cc1
+,,,,,,,,,0.0,,,,,,,,CID717816,O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccccc1
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+,0.0,,,,,,,,,,,,,,,,CID5307260,N#Cc1c(NC(=O)c2cc(C3CC3)on2)sc2c1CCC2
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+0.0,,,,,0.0,,,,,,,,,,,,CID3243617,CC1=C(C(=O)N2CCc3ccccc32)C2(CCC(C)CC2)OC1=O
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+,,,,,,,,,,0.0,,,,,,0.0,CID2911992,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3CC(=O)N(c4ccccc4)C3)cc2)n1
+,,,,,,,,,,,,,,,0.0,,CID647800,CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccccc1C
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+,0.0,,,,,,,,0.0,,,,,,0.0,0.0,CID664508,COc1ccc(S(=O)(=O)C(C#N)c2nc3ccccc3nc2N2CCCC(C)C2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3310156,NC(=O)CSc1ncnc2c1oc1ccccc12
+,,,,0.0,,,0.0,,,,,,,,,,CID3245161,CC1Cc2ccccc2N1C(=O)c1cnc2ccccn2c1=O
+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID1943896,O=S(=O)(NCCSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2225939,CCCCC(=O)N/N=C/c1ccc(Sc2cccc3cccnc23)o1
+,,,,,,,,,,,,,0.0,,,,CID2436417,CNC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1
+0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,CID648325,O=C(NCC1CCCO1)c1c(O)n2c3c(cccc3c1=O)CCC2
+,,,,,,,,,,,,,,0.0,,,CID2425648,CN(CCC#N)C(=O)CSc1nnc(-c2ccco2)n1N
+,,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,CID2622633,COC(=O)c1ccc(CSc2nnc3ccccn23)o1
+,,,,,,,,,,,,,0.0,1.0,,,CID1001041,COC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CCC2
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,,CID3240471,Cc1ccc(-n2c(=O)c3sccc3n(CC(=O)N3CCCC3)c2=O)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID743488,COC(=O)CNS(=O)(=O)c1ccc(OC)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID666698,Cc1ccnc(SCCn2c(N3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)n1
+,,,,,0.0,,,,,,0.0,,,,,,CID664305,Cc1nc2c(c(=O)n1CCC1=CCCCC1)c1nc3ccccc3nc1n2/N=C/c1ccco1
+0.0,,,,,,,0.0,,,,,0.0,,,,,CID3245563,CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
+,,,,,,,,,,,,,,,0.0,,CID3245963,CC1CC(C)CN(CCCNC(=O)C2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID3244906,CCc1ccccc1NC(=O)C(CC)Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3
+,,,,,0.0,,,,,,,,,,,,CID3238933,O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc2c(c1)OCO2
+0.0,,0.0,,,,,,0.0,,,,,,,,,CID2919194,CCOc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1
+,,,,,,0.0,,,,,0.0,,,,,,CID659903,O=S(=O)(c1cccc2cccnc12)N1CCc2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID3622373,COc1ccc(N2C(=O)CCC2(C#N)c2ccc(Br)cc2)cc1
+,,,,0.0,,0.0,,,,,,,,,,,CID662121,CC(C)(C)Sc1nc(O)cc(=O)[nH]1
+,,,0.0,,,0.0,,,,,,,,0.0,0.0,,CID976173,C/C=C/c1ccc(OCCn2cncn2)c(OC)c1
+,,,,,0.0,,,,,,,,,,,,CID2890163,CC(NC(=O)COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
+0.0,,,0.0,,,,,,,,,,,,,,CID3240468,CCc1nn(C(C)C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc3occc3n12
+,,,,,,0.0,0.0,0.0,0.0,,,,0.0,,,,CID2856288,COC(=O)c1ccccc1NC(=O)C1CC(=O)N(C2CCCCC2)C1
+,,,,,,,,0.0,0.0,,,,,,,,CID890161,C/C(=C\c1ccccc1)C(=O)Nc1cc(C)on1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID664465,COc1ccc(C2=NOC(Cn3c(Cc4ccc(Cl)cc4)nc4c3c(=O)n(C)c(=O)n4C)C2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2474265,COc1cc(C=O)ccc1OCc1c(C)noc1C
+,,,,,,,0.0,,,,,,,,,,CID3245498,COc1ccc(NC(=O)c2cc3cc(OC)ccc3oc2=N)cc1
+,0.0,,,0.0,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID3235754,CCn1c(C)cs/c1=N/C(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2200281,O=[N+]([O-])c1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1
+,,,,0.0,,,,0.0,,,,0.0,,,,0.0,CID3236718,CCOC(=O)N1CCC(NC(=O)Cc2cn(C)c3ccccc23)CC1
+,,,,,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,CID707179,COc1ccc(C(C)=O)cc1CSc1nc2ccccc2o1
+,,,,,0.0,0.0,,,,,0.0,0.0,,0.0,0.0,,CID652534,Cc1cc2ncn(C(=O)N3CCCCC3)c2cc1C
+,0.0,,,,,,,0.0,,,,,,,,,CID3242416,Cc1ccccc1-n1c(=O)cc(N2CCC3(CC2)OCCO3)[nH]c1=O
+,,,0.0,,,,,,,,,0.0,,,,,CID650629,Cc1nc2nc[nH]n2c(=O)c1NS(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID4876683,COc1ccccc1NC(=O)NCC(c1ccco1)N1CCCCC1
+,,,,,,,0.0,,,0.0,,,,,,,CID2999389,Cc1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
+,0.0,,,,,,,,,,0.0,,,,,,CID656005,Cc1n[nH]c(=O)nc1NCCN(C)C
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+,0.0,0.0,0.0,,,,,,,0.0,,0.0,,,,,CID761228,Cc1cccc(NC(=O)c2ccc3ccccc3n2)n1
+,0.0,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID719324,CCOc1ccc(NC(=O)c2ccncc2)cc1
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+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2964272,OCc1nc2ccccc2n1CCCOc1ccc(Br)cc1
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+,,0.0,,0.0,0.0,,,0.0,,,0.0,,,,,,CID662701,CCCC(=O)Nc1cc(-c2nn(C)c(=O)c3ccccc23)ccc1OC
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+,0.0,,,,,,,,0.0,,,,,,,0.0,CID974103,O=C(Cc1c(F)cccc1Cl)Nc1cccnc1
+,,,,,0.0,,,,,0.0,,0.0,,,,0.0,CID663596,CN(C)c1ccc(CN(C(=O)COc2ccc(F)cc2)C2CCS(=O)(=O)C2)cc1
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+,,,,,,,,,,,0.0,,,,,,CID615690,NC(=O)c1nn(-c2ccccc2)c(O)cc1=O
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+,,,,,0.0,,,,,,,,,,,,CID2867535,O=C(N/N=C/c1ccccn1)C1COc2cc3ccccc3cc2O1
+,,,,,,,,,,0.0,,0.0,,,,,CID2920647,CC(NC(=O)CSc1ncnc2nc[nH]c12)c1ccccc1
+,,,,,,,,,0.0,,,,,,0.0,,CID666042,Cc1ccc(Nc2nc(N)nc(CN3CCN(c4ccccc4F)CC3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2425266,CCOc1ccccc1C(=O)NC(C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C
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+,,,,,0.0,,,,,,,,,,,,CID877446,O=C1NC(=O)c2ccc3c4c(ccc1c24)CC3
+,,,,,,,,,,0.0,,,,,,,CID3395602,COc1cccc(CNC(=O)Cc2c(C(=O)O)[nH]c3ccccc23)c1
+,,,,,,,,,0.0,,,,,,,,CID1086066,O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccco1
+0.0,,,0.0,,,,,,,,,,,,0.0,0.0,CID2944012,CCC(=O)N1CCN(c2ccccc2NC(=O)COc2ccccc2Cl)CC1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,,,CID2235724,Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2cccc(C#N)c2)o1
+,,,,,0.0,,,,,,,,,,,,CID11958656,Cc1cccc(SCc2noc(C(=O)NC(C)C)c2C(=O)O)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID881482,O=S(=O)(Nc1ccccn1)c1ccc(Cl)c2ccccc12
+,,,,,,,0.0,,,,,,,,,,CID3243251,O=C(O)c1ccc(CS(=O)c2cccc(C(F)(F)F)c2)o1
+,,,,,,,,,,,,,,0.0,,,CID3669383,O=C(O)C1CC=CCC1C(=O)NNc1ccccc1
+,,,,,0.0,,0.0,,,,,,,,,0.0,CID3242327,CC(O)COc1ccc(/C(=N/O)c2ccccc2)cc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID729083,COC(=O)c1ccc(OCc2nc(N)nc(N3CCOCC3)n2)cc1
+,,,,0.0,0.0,,,,,,,,0.0,0.0,,,CID2299642,C=CCSC1=N/C(=C\c2ccsc2)C(=O)S1
+,,,,,,,,,,0.0,,,,0.0,,,CID806411,Cc1[nH]c2ccccc2c1Cc1n[nH]c(=S)n1C
+,,0.0,,0.0,,,,,0.0,0.0,,0.0,,,,0.0,CID2228153,COC(=O)c1ccccc1NC(=O)COc1ccc(S(=O)(=O)N2CCCC2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID647224,CCOc1ccccc1NC(=O)NC1CC2CCCC(C1)N2Cc1nnnn1CCc1ccccc1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,,,CID892450,O=C(O)CCCC(=O)Nc1ccc(C(=O)N2CCCCC2)cc1
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID653950,COc1ccc(OC)c(NC(=O)C2CCN(c3ncccn3)CC2)c1
+,,0.0,,,,,,0.0,,,,,,,,,CID1366509,O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2c(=O)n1CCCn1ccnc1
+,,,,,,,,,,,0.0,,,,,,CID1039593,COc1cc2c(cc1OC)-c1nnc(-c3ccco3)n1C1(CCCC1)C2
+,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,,CID648082,Cc1c(C#N)c2ccccc2n1CC(=O)NCc1cccnc1
+,,,,,,,,0.0,0.0,,,,,,,,CID3196614,O=C(NC1CCCC1)C(c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)OCO2
+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID2857310,O=c1cccc2n1CC1CC2CN(Cc2c(F)cccc2Cl)C1
+,,0.0,,,,,,0.0,,,,0.0,0.0,,0.0,,CID654059,COCc1cc(=O)nc(SCC(=O)Nc2ccccc2)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID2417477,Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NCc3ccccc3)cc2)no1
+,,,,,,,,,0.0,,,,,,,,CID738011,O=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1
+0.0,,0.0,,,,,,,,,,,,,,,CID3244869,CC1CC(=O)N(CC(=O)Nc2ccc3c(c2)OCO3)c2ccccc2S1
+,,,,,,,,,,0.0,,,,,,,CID2951748,Cc1ccc(OCC(=O)N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID2999883,CCCCn1c(=O)n(CC(=O)Nc2ccc(C)c(Cl)c2)c(=O)c2c1ncn2Cc1ccco1
+0.0,,,,0.0,,,,,,,,,,,0.0,,CID666736,COc1cc(OC)c(C2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc1OC
+,0.0,,,,,,,,,,0.0,,,,,,CID1263575,CCOC(=O)c1nnn(-c2nonc2N)c1-c1ccc(OCC)cc1
+,,0.0,,0.0,,,0.0,,,,,,,0.0,,,CID664388,COc1cc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1O
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID3240964,CC(=O)Nc1cc(C(=O)N2CCC3(CC2)OCCO3)ccc1S(=O)(=O)c1ccc(C)cc1
+,,,0.0,,,0.0,,0.0,,,,,,,,,CID2998896,O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID257030,O=C(Nc1ccccc1)C1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID1293810,CCOc1ccc(CC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc1OCC
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID1087720,O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCOCC2)cs1
+,,,,,,,,,,,,,,,0.0,,CID1252576,NC(=O)C1(N2CCCCC2)CCN(CC(=O)Nc2ccccc2-c2ccccc2)CC1
+0.0,,0.0,,0.0,,0.0,,,,,0.0,0.0,,,,0.0,CID649019,COc1ccc(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c(OC)c1OC
+,,,,,,,0.0,,,,,0.0,0.0,,,,CID4879,Nc1ncnc2c1cnn2-c1ccccc1
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID747981,O=C(CN1CCOCC1)N1CCN(S(=O)(=O)c2ccccc2)C1
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID653717,CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2974834,CNc1cc(N2CCCCCC2)ccc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,0.0,CID3243509,CCn1c(=O)cc(SCC(=O)N2CCOCC2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID735886,O=S(=O)(Nc1ccc(N2CCCCC2)cc1)c1ccccc1
+,,,,0.0,,0.0,,0.0,0.0,,,,,,,,CID659618,COCc1cc(C)nc(SCC(=O)Nc2ccc(C)c(C)c2)c1C#N
+,,,,,,,,,,,,,0.0,,,,CID3231048,CC(C)(C)NC(=O)CN(C(=O)c1ccc(Cl)nc1)c1cccc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID2960302,CC(=O)C1=C(c2ccccc2)NC(=O)NC1c1ccccc1OCC(=O)NCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2951571,CC(C)Cn1c(NCCO)nc2ccccc21
+,,,,,0.0,,,0.0,0.0,0.0,,,,,,,CID2954935,CCN(CC)C(=O)CC(c1ccccc1)c1ccco1
+,,,,0.0,,,0.0,,,,,,,0.0,,,CID645192,N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1cccs1
+,,,,,,,,,0.0,,0.0,,,,,,CID734026,CCN1CCN(C2=C(Cl)C(=O)N(Cc3ccccc3)C2=O)CC1
+,,,,0.0,0.0,0.0,,,,,,0.0,,,,,CID2997580,CSCCC(NC(=O)c1ccco1)C(=O)OCC(=O)Nc1sccc1C#N
+,,0.0,,0.0,,,,,,,,,,,,,CID694928,CS(=O)(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1
+,,,,,,,0.0,,,0.0,,,,,,0.0,CID665551,Cc1ccc(OCC2Cn3c(nc4c3c(=O)n(C)c(=O)n4C)O2)cc1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID5309321,Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CCN(c5ccccc5)CC4)CC3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID1908336,COc1cc(C(=O)NCC(=O)N/N=C/c2cccs2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID16196862,O=C(COC(=O)C1CC(O)CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccccc1
+,,,0.0,,,,,,,,,,,,,,CID4534,CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1
+,,0.0,0.0,,,,0.0,0.0,,0.0,,0.0,,,0.0,0.0,CID3163761,COc1ccc(CCNC(=O)CCn2c(=O)oc3ccccc32)cc1
+,,,,,0.0,,,0.0,,0.0,,,,,,,CID2203173,Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccs1
+,,,,,,,,,,0.0,,,,,,,CID1112284,Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)n1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID4336986,O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2559277,COc1cccc(Nc2nnc(SCN3C(=O)c4ccccc4C3=O)s2)c1
+,0.0,,0.0,,,,,,0.0,,,0.0,,,,,CID644692,CCSC1=C(C#N)C2(CCCC2)C(C#N)=C(N)N1
+,,,,,,0.0,,0.0,,,,,,,0.0,,CID3236073,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)NCc3ccco3)c21
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,0.0,CID2954479,CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)c(Br)c3C)cc12
+,,,,,,0.0,,0.0,,,,0.0,,,,,CID3237867,CC(C)(C)OC(=O)N1CCC(c2c(C(=O)O)cnn2-c2ccccc2)CC1
+,0.0,,,0.0,,,,,0.0,,,,,,,0.0,CID2312959,O=C(c1c(Cl)nc2sccn12)N1CCCc2ccccc21
+,,,,,,,,,,,0.0,,,,,,CID4068910,Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2Cl)s1
+,,,,,0.0,,,,,,,,,,,,CID2829672,COC(=O)C(NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3244618,Cn1c(=O)oc2cc(S(=O)(=O)NCCC(=O)NCCc3ccc(Cl)cc3)ccc21
+0.0,,,,,0.0,,,,,,,,,,,,CID3236602,CCCCN(C)C(=O)CCC(=O)Nc1ccc2nc(N3CCOCC3)cc(C)c2c1
+,,0.0,,,,,,0.0,0.0,,,,,,0.0,,CID2432538,O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1ccc2c(c1)OCO2
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,CID2200385,COc1cc2c(cc1OC)CN(C(=O)CSc1nnc(C)s1)CC2
+,,,,,,,0.0,,,,0.0,,0.0,,0.0,0.0,CID1330364,COc1ccc(C(=O)Nc2cccnc2)cc1S(=O)(=O)N1CCOCC1
+,,,,,,0.0,,0.0,,,,,,,,,CID2968525,CCCCN1C(=O)NC(NC(C)=O)(C(F)(F)F)C1=O
+,,,0.0,0.0,,,,,,0.0,,,,,,0.0,CID1186215,CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(CC)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID2886776,COc1ccc(NC(=O)c2ccc(Cc3ccc(C)cc3)o2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2598102,O=C(CCNC(=O)c1ccco1)NCc1ccccc1
+0.0,,,,,,0.0,,,,,,,,,,,CID657845,C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(Cl)cccc1Cl
+,,0.0,,,,,,,,,,0.0,,,,,CID800920,COc1ccc2c(=O)c(N3C(=O)c4ccccc4C3=O)c(C)oc2c1
+0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,,CID664454,CC1CCN(c2oc(Cc3cccc4ccccc34)nc2C#N)CC1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,0.0,,CID765760,O=C(Nc1ccc(Cl)cn1)c1cccnc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2467223,CCC(=O)C1=C(N2CCCC2)CC(C)(C)CC1=O
+0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,0.0,CID651183,Cc1cccc2cc(CN(CCN3CCOCC3)C(=O)NCc3ccccc3)c(=O)[nH]c12
+,,,,,,,,0.0,,,,,,,,,CID1291171,Cn1nc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID5345636,Cc1cc(C)nc(NN2C(=O)/C(=C/c3ccccc3)SC2=S)n1
+0.0,,,,,0.0,0.0,,,,,,,,,,,CID661655,CCOC(=O)c1[nH]c2cc3c(cc2c1NC(=O)CN1CCC(C)CC1)OCO3
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID3000032,Cc1cc(NC(=O)CN2CCCC2c2nc3ccccc3s2)no1
+,,,,,0.0,,,,,,,,,,,,CID9550745,Cc1nc2c(-c3ccc(F)cc3)c(C)nn2c(C)c1CCC(=O)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID3207314,CCOC(=O)Cc1csc(NC(=O)c2sc3nc4ccc(CC)cc4cc3c2N)n1
+,,,,0.0,,,,,,,0.0,,,,,0.0,CID653358,Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)N2CCOCC2)CC1
+,,,,,0.0,,,,,,,,,,,,CID2889310,Cc1ccc(C(C)C)c(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1
+,,,,,,0.0,,,,,0.0,0.0,,0.0,,,CID934599,Cc1cc(C)n2nc(Cc3ccccc3)nc2n1
+,,,,0.0,0.0,,0.0,,,0.0,,0.0,,,0.0,,CID2928975,CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)CC1
+,,0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,CID2904579,CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)OCO3)C1
+,,0.0,,0.0,,,,0.0,0.0,,,,,,,,CID2373968,CCS(=O)(=O)c1ccc2oc(SCC(=O)c3ccco3)nc2c1
+0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID726833,Cc1nn(-c2ccccc2)c(C)c1/C=N/O
+,,,,,,,,,,,,,0.0,,,,CID1730304,COc1ccc(/C=C2\SC(c3ccc(C)cc3)=NC2=O)cc1OC
+,,0.0,,,,,,,,,,,,,,,CID3243296,COc1ccc(-c2cc(C(=O)NC3CCCC3)no2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2997610,COc1ccc(NC(=O)c2cc(OC)c(OC)cc2OC)c(S(=O)(=O)N2CCOCC2)c1
+,,,0.0,,,,,,,,,,0.0,,,,CID880240,Cc1nc2ccccc2c(=O)n1/N=C/c1ccncc1
+,,,,,,,,,,0.0,,0.0,,,,,CID649571,Cc1ccc(OCc2nc(C#N)c(NCc3ccco3)o2)cc1
+,,,,,,,,,,0.0,,0.0,,,,,CID1106122,CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCC(=O)c3ccccc32)cc1
+,,,,,,,,,,,0.0,,,,,,CID1463734,COc1ccc(C(=O)Cn2nnc(-c3ccccc3NC(=O)C(F)(F)F)n2)cc1
+0.0,,0.0,,0.0,,,,,,,,0.0,,,,0.0,CID665401,COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(OC)c1
+,,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID2195465,O=C(CSc1nnc(CCCO)n1-c1ccccc1)NCCc1ccccc1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,CID647806,O=C(CS(=O)(=O)Cc1ccccc1)Nc1nnc(C2CCCCC2)s1
+,,,,,0.0,,,,,,,,,,,,CID1728491,O=S(=O)(Oc1ccc2ccccc2c1)c1ccc(F)cc1
+,,,,,,,,,,,,,,0.0,,,CID736217,O=Cc1cccn1Cc1ccccc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID1022894,Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)o1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3244233,COCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1
+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2570767,O=C(OCCOc1ccccc1Cl)c1ccc(-n2cnnn2)cc1
+,0.0,,,0.0,,,,,,0.0,,,,,0.0,,CID1248805,CC(C)OC(=O)CSc1nnc(-c2cnccn2)n1Cc1ccco1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID2078499,Cc1ccc2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)cc(=O)n2c1
+,,,,,,,,,0.0,0.0,,,,,,,CID3189935,O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CCCCC2)cc1
+0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,CID652836,O=C(NCN1CCc2ccccc2C1)c1ccccc1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID4067113,Cc1csc2ncc(C(=O)NCc3ccccc3Cl)c(=O)n12
+0.0,1.0,,,,,,,,,,,,,,,,CID5056270,O=C(Nc1nc(-c2ccncc2)cs1)C1COc2ccccc2O1
+0.0,0.0,0.0,,0.0,,,,,,,,,,,,0.0,CID1147635,CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)cc1
+,,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,CID1575154,Cc1cccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3onc(C)c3C)cc2)c1C
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID647095,O=C(Nc1cccc(F)c1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,,,,0.0,,,,0.0,,,,,,,CID649685,CCOc1ccc2nc(NC(=O)CN3CCN(c4ccccn4)CC3)sc2c1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,CID2998376,CCC(C)C(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)NCc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5409139,O=C(Nc1ccccc1)/C(=C\c1ccncc1)NC(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1566034,COCCCNc1ncnc2ccc(C)cc12
+,,,,0.0,,,0.0,,,,,,,,,,CID647881,COc1cccc(N2CCN(CC(=O)NCc3cccs3)CC2)c1
+,0.0,,,,,,0.0,,,,,,,,,,CID3243418,Cc1cccn2c(=O)c3cc(C(=O)NCCCn4ccnc4)n(C)c3nc12
+,,,,,,,,,,,,,0.0,,,,CID1961998,O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1
+0.0,,,0.0,0.0,,0.0,,,,,,,,,0.0,,CID3239163,O=C(NCc1cccnc1)c1cc(-c2cccs2)on1
+0.0,0.0,0.0,,,,,,0.0,,,,,,,,,CID667014,CCc1nc2oc3cc(OC)ccc3c(=O)c2c(=O)n1-c1ccccc1
+,,,,,,0.0,,,,,,,,,,,CID804692,Cc1cc(C)n(S(=O)(=O)c2cccc(Cl)c2Cl)n1
+,,,,0.0,,0.0,,,,,,,,,,,CID2840442,CCOC(=O)c1c(NC(=O)CN2CCCCC2)sc2c1CCCC2O
+0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,0.0,0.0,,,CID661951,c1coc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)c1
+,,,,,0.0,,,,,,,,,,,,CID2888544,COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CSc3ccccn3)c2)cc1
+0.0,,,,,,,,0.0,,,,,,,,,CID792595,Fc1ccc(CN2CCSCC2)cc1Br
+,,,,,,,,,,,,,0.0,,,,CID2098087,CC(C)Cn1c(N)c(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(=O)n(C)c1=O
+0.0,0.0,,,,,,,,,0.0,,,0.0,,0.0,,CID937147,CCOc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2368566,CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)CN2C(=O)CN(C)C2=O)nc1C
+,,,,,,,,,,,0.0,,,,,,CID800266,Cc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)c(C)c1
+0.0,,,,,,,,,,,,,,,,0.0,CID3245765,O=C(NCCc1ccccc1)c1cc(-c2ccco2)on1
+0.0,,,,,,0.0,,,,,,,,,,,CID5309639,Cc1cc(C)c2c(=O)n(CC(=O)N3CCC(Cc4ccccc4)CC3)sc2n1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID2148459,Cn1c(NC(=O)c2cccc(C(F)(F)F)c2)cc(=O)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID1905297,O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccs1
+,,,,,,,,,,,,,0.0,0.0,,,CID2139586,O=C(COC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1)c1ccccc1
+,0.0,,0.0,,,,,,0.0,,,,,,,,CID3240174,O=C(O)CN1CCN(Cc2ccc(F)cc2Cl)C1=O
+,0.0,0.0,,,,,,,,0.0,,,,,,0.0,CID661456,Cc1cc2c(c(=O)n1Cc1cccnc1)C(c1ccccc1)C(C#N)=C(N)O2
+,0.0,,,,,0.0,0.0,,,,,,,,,,CID1248078,CCn1c(=O)n(CC)c2cc(S(=O)(=O)Nc3ccccc3C)c(C)cc21
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID1282870,CCC(=O)c1ccc(N2CCN(C(=O)c3ccc(Br)cc3)CC2)c(F)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID2352910,COc1ccccc1CNC(=O)COC(=O)c1cnccn1
+,,,0.0,,,,,,,,,0.0,,,,,CID650328,O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,0.0,,,,,,,,,0.0,,CID652983,O=C(O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1
+,,,,,,,,,0.0,,,,,0.0,,,CID2621127,Cc1nc(NC2CCCC2)sc1C(=O)N(C)C
+,0.0,,,,,,0.0,,,0.0,,,,,,,CID5322190,CCCC1=C/C(=C2/NNC(C)=C2c2ccc(C(=O)OCC)o2)C(=O)C=C1O
+,,,,,,,,,,,,,0.0,,,,CID2081312,O=C(Nc1nc2ccccc2[nH]1)C1CCCC1
+,,,,,0.0,,,,,,,,,0.0,,,CID851608,O=C(CSc1ncccn1)n1c2c(c3ccccc31)CCCC2
+,,,,,0.0,,,,,,,,,,,,CID2282851,CC(C)NC(=O)/C(=C/c1ccco1)c1ccccc1
+,0.0,,,,,,,0.0,0.0,,,,,,0.0,,CID699083,Cc1n[nH]c(SCCN2C(=O)c3ccccc3C2=O)nc1=O
+,,,,,,,,,,,,,0.0,,,,CID1599985,CC(/C=N/NC(=O)c1cc(-c2cccs2)[nH]n1)=C\c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID997551,COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID664560,CN(C)c1oc(-c2ccc(OCc3ccccc3)cc2)nc1C#N
+,0.0,,,,,,,,,,,,,,0.0,,CID584132,O=C(NCc1cccnc1)Nc1cccc(NC(=O)NCc2cccnc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1130557,COc1ccc(-n2c(Cc3ccccc3)nc3ccccc3c2=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID3155022,CCC1Oc2ccccc2N(CC(=O)NCc2ccco2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2397860,O=C(Nc1ccc(S(=O)(=O)NC2=NCCCCC2)cc1)c1ccco1
+,,,,,,,,,,0.0,,,,,,,CID659222,O=C(O)C1CC(=O)n2c(nc3ccccc32)S1
+0.0,0.0,,,,,,,,,,,,,,,,CID653327,CCn1c(SCC(=O)N2CCN(c3ccccc3F)CC2)nnc1-c1ccoc1C
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+,0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,,CID658581,Nc1nonc1-c1noc(N2CCCCC2)n1
+,,,,0.0,,,,,,,,,,,,0.0,CID3485668,COC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2ccccc21
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+,,,,,,,,,,,0.0,,,,,,CID1454992,Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl
+0.0,,,,0.0,0.0,0.0,,,0.0,,,,,,,0.0,CID653767,Cc1nnc(SCC(=O)Nc2ccccc2)n1CCc1ccccc1
+,,,,,,,,,,,,,,,0.0,0.0,CID2978682,CC(Sc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)C(=O)O
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID661631,Cc1cccn2c(=O)c3cc(C#N)c(=N)n(Cc4ccncc4)c3nc12
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+,,,,,0.0,,,,0.0,,,,,,,,CID5308369,Cn1c(=O)oc2cc(S(=O)(=O)NC3CCCc4ccccc43)ccc21
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+,,,,,,,,,,,,,0.0,,,,CID1203812,CC(=O)NNS(=O)(=O)c1ccccc1[N+](=O)[O-]
+,,,,,,0.0,0.0,,,,0.0,,,,,0.0,CID1335878,COc1ccc(C)cc1NC(=O)CN(c1ccc(F)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,,,0.0,CID3244882,O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2cccc(O)c2)on1
+,,,,,0.0,,,,,,,,,,,,CID2183360,CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)ccc1OC(=O)c1cccs1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,,0.0,CID645245,Cc1ccc(-c2nnn(CCC(=O)NC3CCCC3)n2)cc1
+,,,,,,,,,,0.0,,,,,,,CID4528167,Cc1ccc2[nH]cc(C(=O)CN3CCOCC3)c2c1
+,,,,,,0.0,,,,,,,,,,,CID3238637,NC(=O)NC(=O)Nc1ccccc1Cl
+,,0.0,,,,,,,,,,,,,0.0,,CID656270,Cc1ccc(NC(=O)N2CCC(c3nc4n(Cc5cccc(Cl)c5)[nH]nc-4c(=O)n3)CC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID2235579,CCOc1cc(S(=O)(=O)NCc2ccc3c(c2)OCO3)ccc1F
+,,0.0,,0.0,0.0,,,,0.0,,,0.0,,,,,CID2270178,O=S(=O)(NCCOCCNS(=O)(=O)c1ccccc1)c1ccccc1
+,,0.0,,,,,,0.0,,,,,,,,,CID648442,CC(C)CC(OC(=O)c1cccs1)C(=O)NCC1CCCO1
+,,,,,,,,0.0,,,,0.0,,,0.0,,CID1245713,Cc1ccc2c(c1)CCCN2C(=O)c1ccoc1C
+,,,,,,,,,,,,,,0.0,,,CID1257142,COC(=O)CNC(=O)c1cc(-c2ccncc2)nc2c(C)c(Cl)ccc12
+,,,,,,,,,,0.0,0.0,,,,,,CID2028125,COc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2C
+,,,,,0.0,,,,,,,,,,,,CID3218494,O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F
+,,0.0,,,,,,,,,,,,,,0.0,CID849904,O=C(c1ccco1)N1CCN(S(=O)(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,0.0,,,0.0,,CID890076,Cc1ccc(CC(=O)NCC(C)C)cc1
+,,,,,,,,,,,,,,0.0,,,CID727386,Cc1ccc(N2CCN(/N=C/c3ccccc3[N+](=O)[O-])CC2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID690923,O=c1oc(-c2ccccc2)nc2sc3c(c12)CCC3
+,,,,,0.0,,,,,,,,,,,,CID1220055,CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(C#N)c1C
+,,,,,,,,0.0,0.0,,,,,,,,CID1949849,O=C1NC2(CCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID1091533,CC(C)C(=O)c1cn(CC(=O)NCc2ccc3c(c2)OCO3)c2ccccc12
+,,,0.0,0.0,,,,,,0.0,,,,,,,CID649965,CC(C)C1CC(c2csc(N)n2)CCO1
+,0.0,,0.0,,,0.0,0.0,0.0,,,0.0,,,,,,CID378526,Cn1c(=O)c2[nH]c(Nc3ccccc3)nc2n(C)c1=O
+0.0,,,,,,,0.0,,,,,,,,,,CID5742475,C/C(N)=C(/C#N)C(=O)COC(=O)CSc1ccccc1
+,0.0,,,,0.0,,,,,,,0.0,,0.0,,,CID3244141,Cc1nc2nc(C)c(CCC(=O)NCCC3=CCCCC3)c(C)n2n1
+,,,,,,,,,,,,,0.0,,,,CID2378275,COc1cc(/C=N/N2CCOCC2)ccc1OC(=O)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID26120,NC(=O)C1CNc2ccccc2O1
+,,,0.0,,,,,,,,,,,,0.0,,CID3240838,CC1=C(C(=O)N2CCC3(CC2)OCCO3)C2(CCC(C)CC2)OC1=O
+,,,,,0.0,,,,,,,,,,,,CID877482,COc1cc(Sc2ccccc2[N+](=O)[O-])ccc1N
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,0.0,CID861149,COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID3236775,CCNC(=O)CC1C(=O)N(c2ccc(F)cc2)C(=O)N1CCc1ccc(OC)cc1
+,,,,,,,0.0,,,,,,,,,,CID5771446,Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N(C)CC(=O)N1CCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID15945166,Cc1ccc(Nc2nnc(SCC(=O)NC3CCCc4ccccc43)s2)cc1
+0.0,,0.0,0.0,0.0,0.0,,,,,,,,,0.0,,,CID662824,CCOc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1
+,0.0,,,0.0,,0.0,,,0.0,,,,,,,,CID2951899,O=C(Nc1nnc(CCc2ccccc2)s1)C1CCCO1
+,,0.0,0.0,0.0,,,,,,0.0,,,0.0,,0.0,,CID984394,COc1cccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2577809,Cn1c(=O)c(C(=O)COc2ccc(F)cc2Cl)c(N)n(Cc2ccccc2)c1=O
+,,,,,,,,0.0,,,,,,,,,CID3243349,C=CCNC(=O)c1sc(=S)n(-c2ccc(C(=O)OCC)cc2)c1N
+,,,,,,,,,,,0.0,,0.0,,,,CID691943,Cc1ccc(C(=O)NNC(=O)Cc2ccccc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2225455,Cc1ccc(Cl)c(OCC(=O)Nc2sc(C)c(C)c2C#N)c1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID3244784,CC1CCCC(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1C
+,,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID2194008,C=CCNS(=O)(=O)c1ccc(OCC(=O)OCC)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID2928788,COc1ccc(N2C(=O)CC(NCc3cccc(F)c3)C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID827916,CCCn1c(=O)n(N)c2ccccc21
+0.0,,,,,,0.0,,,,,,,,,,,CID883949,O=C(C1CCN(Cc2ccccc2)CC1)N1CCCC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1255726,O=C(Nc1ccccc1C(=O)O)c1ccc(NC(=O)c2ccc(Br)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID893415,Cc1ccc(S(=O)(=O)NCC(=O)N2CCCC2)cc1
+,,,,0.0,,,,,,,0.0,,,,,,CID2346465,COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)CSc1nnc(N)s1
+,0.0,,,,,0.0,,0.0,,,,,,,0.0,0.0,CID3240297,COc1cccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(C)CC4)c3c2=O)c1
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+,0.0,,0.0,,,,,,,,,,,,,,CID653213,O=C(O)c1cc(S(=O)(=O)NCC2CCCO2)ccc1Cl
+,,,,0.0,,,,,,,,0.0,,,,,CID2998368,Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC3(C)CC2CC(C)(C)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID896736,O=C(NCc1cccs1)c1ccc([N+](=O)[O-])cc1Cl
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID3239114,CCOC(=O)CSc1nnc(CNC(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)n1C
+,,,,,,,,,,,,,,0.0,,,CID2104271,CN(C)CC(C)(C)CNS(=O)(=O)c1ccc(Cl)s1
+,,,,,,,,0.0,,,,,,,,,CID3131869,OC(CNCC1CCCO1)COc1ccc(OCC(O)CNCC2CCCO2)cc1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID760787,COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C)CC1
+,,,0.0,,,,,,,,,0.0,,,,0.0,CID2223389,CS(=O)(=O)N(CC(=O)N1CCOCC1)Cc1ccc(Cl)cc1
+,0.0,0.0,0.0,,,,,0.0,0.0,,0.0,,,,0.0,0.0,CID2147271,COc1ccc(CCNC(=O)CSc2nnc(Cc3csc(N)n3)n2C)cc1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID2456618,CCCOc1ccc(OCCSc2nnc(N)s2)cc1
+,,,,,,,0.0,,,0.0,,,,,,,CID2412772,CN1CC(=O)N(CCOc2ccccc2)C1=O
+,,,0.0,,,,0.0,,,,,0.0,,0.0,,,CID782630,O=C(/C=C/N1CCOCC1)c1coc2ccccc12
+,,,,,,,,,,,,,0.0,0.0,,,CID16191719,OCC1(Cc2ccc(Cl)cc2)CCN(CCCc2ccccc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID972593,Cc1ccc(NC(=S)N2CCN(c3ncccn3)CC2)cc1C
+,,,,,,,,,0.0,,,,,,,,CID9551433,Cc1nc2nc(SCC(=O)NCCN3CCOCC3)nn2c(C)c1Cc1ccccc1
+,,,,,,,,0.0,0.0,0.0,,0.0,,,,,CID2103632,O=C(OCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2n1
+,,,,,0.0,,,,,,,,,,,,CID1276577,Cn1c(=O)c2c(nc(Sc3nc4ccccc4n3Cc3ccccc3)n2C)n(C)c1=O
+,,,0.0,0.0,,0.0,,0.0,,,,0.0,,0.0,,,CID753886,O=C(Nc1nccs1)c1ccc(S(=O)(=O)c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2957169,COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID646271,Cc1ccc(C)c(N(C(=O)Cn2nnc(-c3cccs3)n2)C(C(=O)NC2CC2)c2ccc(C)o2)c1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID3240166,COc1ccc(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1OC
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+,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,0.0,0.0,CID665267,CCOC(=O)CNC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1
+0.0,,0.0,,0.0,,,,0.0,,,,,,,,,CID3237882,CCOC(=O)c1cc(C)n(-c2c(C)n(C)n(-c3ccccc3)c2=O)c1C
+,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,CID665042,C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccc(S(N)(=O)=O)cc1
+,,,,,,,0.0,,,,0.0,,,,,,CID760733,COC(=O)c1ccc(/C=N/n2cnnc2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID2260858,CCOc1ccc(N(CC(=O)NCCCOC)S(C)(=O)=O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID828588,Nc1nc(-c2ccco2)nn1C(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2312860,CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc2c(c1)OCCO2
+0.0,,,0.0,,,,,,,0.0,,,,,,0.0,CID648470,COc1ccc(Cc2nnc(NC(=O)Cc3cccs3)s2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID1028457,Cn1cc(Br)c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)n1
+,,,,,,,,,,,,,0.0,,,,CID893906,O=C(O)CCc1ccc(-c2cccs2)n1CCc1ccccc1
+0.0,,,,,,,,,,,,,,,,0.0,CID807623,CCOc1cc(C(=O)NCc2ccncc2)cc(OCC)c1OCC
+,,,,,,,,0.0,,,,,,,,,CID3178523,CCCCn1c(SCC(=O)NCc2ccco2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,0.0,,,0.0,,CID745111,COC(=O)C1=C(C)N(c2cc(Cl)cc(Cl)c2)C(=O)C1
+0.0,0.0,0.0,0.0,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,CID652703,Cc1sc2nc(C3CC3)nc(NCCNS(C)(=O)=O)c2c1C
+,0.0,,0.0,,,,,,,,0.0,,,,,,CID3239476,CCc1c(C)nc2c(C#N)c[nH]n2c1=O
+,,,,,,0.0,0.0,,,,,,,,,,CID3236197,O=C(CN1CCN(Cc2ccccc2F)C1=O)NCc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID5125614,Cc1c(C(=O)NCCCC(=O)O)c(-c2ccccc2)nn1-c1ccccc1
+,,0.0,,,,,,0.0,,0.0,,,,,,,CID665193,COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1
+,,,,,,0.0,,,,,,,,,,0.0,CID783866,COc1ccc(NC2CCN(CCc3ccccc3)CC2)c(OC)c1
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID3237642,CC(=O)Nc1ccc(S(=O)(=O)NC(CC(=O)O)c2ccc(OC(C)C)cc2)cc1
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID64952,CC(=O)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3486177,COC(=O)c1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1228428,COCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1
+,,,0.0,,,,0.0,,,,,,,,,,CID5408119,O=N/C=C1/C=C(C(=O)NCCc2ccccc2)C=CN1
+0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID3237486,O=C(CN1C(=O)CCSc2ccccc21)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,0.0,,,,,,CID1103367,COc1ccc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)cc1OC
+,,,,,0.0,,0.0,,,,,,,,,,CID3239530,CN(CC(=O)NCc1cccc(F)c1)C(=O)c1ccco1
+,,,,,,,,0.0,0.0,,,,,,,,CID744951,COC(=O)C1=C(C)N(CC(C)C)C(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID2836992,O=C(NCc1ccco1)C1CC2CCC1C2
+,,,,,,,,,,,,,0.0,,,,CID2888991,COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2nccs2)c(OC)c1
+0.0,,,,0.0,,0.0,,,,,0.0,,,,,,CID666416,Cc1[nH]n2c(=O)c3c(nc2c1-c1ccccc1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID5763735,COc1ccccc1C(=O)N/C(=C\c1ccccc1)C(=O)NC(C)C(=O)O
+,,,,,,,,0.0,,,,0.0,,0.0,0.0,,CID615208,O=c1c(N2CCCCC2)coc2ccccc12
+,,,0.0,,,,,,,,,0.0,,,,,CID880397,Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1Cl)c(=O)n2C
+0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,,CID653033,COc1cccc(/C=N/n2c(-c3ccco3)nc3ccccc3c2=O)c1
+,,,,0.0,,,0.0,,,,,,,,,,CID3236201,CCOCCCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)OCC
+0.0,,,,0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,CID647129,CCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2CC)c1
+,,,,,,,0.0,,,,,,,,,,CID657645,CCCOc1ccc(C2NC(=O)NC2=O)cc1
+0.0,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,0.0,CID645539,COc1nc(OC)nc(N2CCC(C(=O)Nc3cccc4c3CCCC4)CC2)n1
+,,,,0.0,,,,,,0.0,,,,,,,CID2999280,CCOc1ccccc1C(=O)NCC(=O)OCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID2420076,CCc1n[nH]c(=S)n1/N=C/c1ccc(N(C)c2ccccc2)cc1
+,,0.0,,,,0.0,,,,,,0.0,,,,,CID5428930,CCCC1=C/C(=C2/NNC=C2c2ccc(C(=O)OCC)o2)C(=O)C=C1O
+,,,,,,,,,,,,,,0.0,,,CID867722,O=C1CC(c2ccccc2)CC(=O)C1=CNC1CCCCCC1
+0.0,0.0,,,,,,,,,0.0,,0.0,,,,,CID647257,Cc1ccc(NCc2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c(C)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID664792,COc1ccc(N2CC(C)Cn3c2nc2c3c(=O)n(CCN3CCOCC3)c(=O)n2C)cc1
+0.0,,,,,0.0,,0.0,,,,,,,,,0.0,CID646766,CCC(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID16195452,O=C(O)c1cccc(NC(=S)NN/C=C2\C=Nc3ccccc32)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID2847910,CC1=C(C(=O)Nc2ccc(Br)cc2)C(c2ccco2)NC(=O)N1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID2055379,COC(=O)C1=C(C)N(C)C(=O)/C1=C\c1cccs1
+,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,CID2575386,Cc1ccc(CNC(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2905116,COc1cccc(N2C(=O)CC(c3c[nH]c4ccccc34)C2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID16191743,CCOc1ccccc1CN1CCN(CCCn2cccn2)CC1CCO
+0.0,,,,,,,,,,,,,,,,0.0,CID3238644,Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)o1
+,,,0.0,0.0,,,,,,,,,,,0.0,,CID3243278,CCC(Sc1ccc2nnc(-c3ccc(F)cc3)n2n1)C(=O)OC
+0.0,,,,,,,,1.0,,,,,,,,0.0,CID665299,O=C1c2ccccc2C(=O)N1c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID3242879,Cc1cc(C)c(C(=O)CC2(O)C(=O)Nc3ccccc32)cc1C
+,0.0,,0.0,0.0,,,,,,,,,,,,,CID664232,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCOCC1)n2CCSc1ncccn1
+,0.0,,,,,,0.0,,,,,,,,,,CID5307253,COc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)c1
+,,,,,0.0,,,,,,,,,,,,CID882445,CC(C)Oc1ccc2ccccc2c1C=O
+,,,,,,,,,,,,,0.0,,,,CID2737878,N#CC1=C(N)OC2=C(C(=O)CCC2)C1c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2277195,COC(=O)c1ccccc1N/C=C/C(=O)c1ccc(Br)cc1
+,,0.0,0.0,,0.0,,,,,,,,,0.0,,,CID351033,c1ccc(Cn2nnc3cnccc32)cc1
+,,,,,,,,,0.0,0.0,,,1.0,,,,CID2200813,O=C(c1cccs1)n1nc(-c2ccco2)nc1SCc1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID602873,CCC(=O)NC1=C(C#N)C2(CCCC2)Cc2ccccc21
+,,,0.0,,,,,0.0,0.0,0.0,,,,,,,CID986301,CCOC(=O)Cc1csc(NC(=O)COc2ccc(OC)cc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2888217,O=C1N=C2Nc3ccccc3SC(c3ccccc3)=C2C(c2ccc(O)cc2)N1
+0.0,,,,,,,,,0.0,,,,,,,,CID2999058,O=C(Nc1cccnc1)c1cn(-c2ccccc2)nc1-c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID1242706,O=C(CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc2c(c1)OCO2
+0.0,,,,,0.0,,,,,,,,,,0.0,,CID5307868,Cc1ccc(C)c(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1
+,,,,,,,,,,,,,0.0,,,,CID1079045,COc1ccc(NS(=O)(=O)c2csc(C(=O)Nc3ccccc3)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID5764442,COCCNC(=O)C1=CNN2C1=NC(c1ccco1)CC2C(F)(F)F
+0.0,,,,,,0.0,0.0,0.0,,,,0.0,0.0,,,,CID2431043,O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID3734497,COc1ccc(/C=N/Nc2ncnc3scc(-c4ccccc4)c23)cc1OC
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID2262351,CN(C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID5310864,C/C(NC(=O)c1ccccc1)=C1/C(=O)CC2C1C2(C)C
+,,,,,0.0,,,,,,,,,,,,CID4877213,Cc1nc2cc(NC(=O)COc3ccccc3C#N)ccc2n1-c1ccccc1
+,0.0,,,0.0,,,,,0.0,,,0.0,,,,,CID2286723,Cc1ccccc1N(CC(=O)NCCSCc1ccco1)S(C)(=O)=O
+,0.0,,,,,,,,,,,,,,0.0,,CID2123,CN(C)c1nc(N(C)C)nc(N(C)C)n1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID852899,CCOc1nc(C)ccc1-c1noc(-c2ccco2)n1
+,,,,,,,,,,,0.0,,,0.0,,,CID6538252,CC(C)n1c(N/C=C2\C=Nc3ccccc32)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID2990290,COc1ccc(N2CCN(Cc3nc4c(c(=O)n(C)c(=O)n4C)n3C(C)C(C)=O)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID4893251,COCCn1c(CN2CCN(c3ccccc3F)CC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,0.0,,,,,,,,,0.0,CID3243639,CCOCCCNC(=O)CN1C(=O)C(CC)Oc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID614713,Cc1ccc(/C=N/c2ccccc2C#N)s1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,,CID661478,CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(OC)cc12
+0.0,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,,,CID659562,O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccco1
+0.0,,,0.0,,,,,,,,,0.0,,,,,CID652916,CCOc1ccc(-c2nnn(CC(=O)Nc3ccccc3OC)n2)cc1OCC
+,,,,,,,,,,0.0,,,,,,,CID5307601,Cc1c(NC(=O)C(C)N2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,,CID2999670,NC(=O)NC(Cc1ccccc1)C(=O)O
+,,,0.0,,,,,,,,0.0,,,,,,CID654105,Cc1cc(C)nc(N2CCCC(C(=O)Nc3cc(F)ccc3C)C2)n1
+0.0,,,0.0,,,,,,,,,,,,,,CID664358,COc1cc(NC(=O)C2CCCCN2)ccc1OCC(C)C
+,0.0,,,,0.0,,,,,,,,,,,,CID655094,Cc1cc(C)nc(N2CCCC(C(=O)NC3CCCC3)C2)n1
+0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,CID667143,COc1ccc(-c2nc3nc(C)c(Cc4ccccc4)c(=O)n3[nH]2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID974491,CCn1c(COc2ccccc2C(N)=O)nc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID4968604,COc1cc2c(cc1OC)CN(C(=S)Nc1ccccc1Cl)CC2
+,,0.0,0.0,,0.0,,,0.0,,,0.0,,0.0,0.0,,,CID662669,CCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21
+,,,,,,,,,,,,,0.0,,,,CID893010,O=C(CNS(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1
+,,,,1.0,,,,,,,,,0.0,,,,CID1243722,O=C(NCc1ccco1)c1cccnc1-c1nc2ccccc2s1
+,,,0.0,,0.0,,,,,,,0.0,,,,,CID660720,CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
+0.0,,,,,,0.0,,,,,,,,,,,CID1244294,COc1cc(OC)c(NC(=O)c2ccoc2C)cc1Cl
+,,0.0,,,0.0,,,,,,,,,,,,CID6398940,O=C1C=CC=C/C1=C\Nc1c(-c2ccco2)nc2ccccn12
+0.0,,,,,,,,0.0,,,,,,,,,CID650519,CC(C)CCn1c(Br)nc2c1c(=O)n(CC(N)=O)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID16191340,CCOC(=O)C1(CCCc2ccccc2)CCN(Cc2nccn2CC)CC1
+,,,,,,,,,,,0.0,,,,,,CID9551508,CCOc1ccc(NC(=O)CCCc2cc(-c3ccc(OCC)cc3)on2)cc1
+,,,,,,,,,0.0,,,,,,,,CID3224621,CC(C)(C)NC(=O)Cn1c(SCC(N)=O)nc2ccccc21
+0.0,,,0.0,,,,0.0,,,,,0.0,,,,,CID3236548,COc1ccc(N2C(=O)NC3CC2(C)Oc2ccccc23)cc1OC
+,0.0,0.0,,0.0,0.0,,,,,,,,,,0.0,,CID3244177,CC(C)C(NC(=O)C1CCCCC1)C(=O)NCc1ccccn1
+,,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID1743711,COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(C)(=O)=O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2977034,COc1ccc(CC(=O)NC(C)c2nnc(SCC(=O)c3ccc(OC)cc3)n2C)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID1171898,Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)O)o3)cc12
+0.0,0.0,0.0,,,0.0,,,,,,,,,,,,CID658216,N#Cc1c2n(c3c(=O)n(Cc4ccccc4Cl)cnc13)CCCC2
+0.0,,,,,,,,,,0.0,,,,,,,CID651570,CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n21
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID918467,CN1CCN(/C=N/c2c(C#N)cnn2C)CC1
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+,,0.0,0.0,,,,0.0,0.0,,,,0.0,,,,,CID5783707,CCN1CCCC1CN/C(O)=C1/C(=O)NC2=C(CCCC2)C1=O
+,0.0,,,,0.0,,,,,,,0.0,,,,,CID5309587,COc1ccc(Cl)cc1N1C(=O)C2CCCN2C1c1cccc(F)c1
+,,0.0,,0.0,,,,,,,,,,,,,CID2919153,COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCn2ccnc2)c1OC
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID3240250,O=C(Cn1cccc1)NCc1cccs1
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2092522,Cc1csc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,0.0,,,CID800766,Cc1nc2sccn2c1-c1csc(NCc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID3172441,NC(=O)c1nsc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccc3c(c2)OCO3)c1N
+,,0.0,,,,,,,,,,0.0,,,,,CID3243689,O=C(NCCN1CCCC1)C1CC(=O)N(C2CCCCC2)C1
+0.0,,0.0,,,,0.0,,,,0.0,,0.0,,,,0.0,CID649558,O=C(NC1CCCCC1)c1nc2n(Cc3ccccc3Cl)[nH]nc-2c(=O)n1
+,,,,,,,,,0.0,,,,,0.0,,,CID675394,Nc1cc(-c2nc3ncccc3o2)ccc1Cl
+,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,0.0,,,0.0,,CID651481,O=C(CSc1ncn(-c2ccccc2)n1)Nc1ccccn1
+,,,,,,,,0.0,0.0,,,,,,,,CID668777,CCN(C(=O)c1cccnc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1205355,Cc1cc(C)cc(N(CC(=O)N2CCOCC2)S(=O)(=O)c2ccccc2)c1
+,,0.0,,,,,,,,,,,0.0,,,,CID1265381,COc1ccc(CCNC(=O)COc2nsnc2N2CCOCC2)cc1OC
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+,,,,,,,,,,,,,,0.0,,,CID7311963,CCOC(=O)c1ccc(Cl)c(NC(=O)c2cccnc2)c1
+,,,,0.0,,,0.0,,0.0,,,,,,0.0,0.0,CID2999381,COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2
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+,,,,0.0,0.0,,0.0,,,,,,,,,,CID3241043,O=C1SC(c2ccccc2)=C/C1=C\N1CCCCC1
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+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3244194,CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)CC)CC2)CC1
+,,0.0,,,0.0,0.0,,,,,0.0,,,,,,CID715042,Cc1cc(S(=O)(=O)NCc2ccco2)c(C)s1
+,,,,,,,,0.0,,,0.0,,,,,,CID3240505,O=C(NCC1CCCO1)c1ccc2c(=O)n(CCc3ccccc3)c(=O)[nH]c2c1
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+,,,,,,,,,,,,,,,,0.0,CID657780,COC(=O)C(O)(c1ccc(NC(=O)c2ccco2)c(OC)c1)C(F)(F)F
+0.0,,,,,,,,,,,,0.0,,,,,CID3238132,Cc1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1
+,,,,0.0,,0.0,,,,,,,,,,,CID2999372,CCc1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID3214227,CC(C)OC(=O)CSc1nc2cccnc2n1-c1ccc(F)cc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID938408,COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccccn3)cnc12
+,,,,,,,,,,,0.0,,,,,,CID1014789,NC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1-c1ccccc1
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+,,,0.0,,,,,,,,,,,,,0.0,CID3243339,O=C1CCCC2=C1C(O)(C(F)(F)F)C(=O)N2Cc1ccccc1
+0.0,,,0.0,0.0,0.0,,,0.0,,,,,,,,,CID653744,Cc1ncsc1C(=O)Nc1nc2c(s1)CCCC2
+,,,0.0,0.0,,0.0,,,,,,0.0,,,,,CID723997,CSc1ccccc1NC(=O)c1ccco1
+,,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,CID3238616,COc1cccc(N2C(=O)C(CC(=O)Nc3ccccc3)N(C3CCCCC3)C2=O)c1
+,,0.0,0.0,0.0,0.0,,,,,,,0.0,,,,,CID3235900,Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCc3ccc4c(c3)OCO4)cc2s1
+,0.0,,0.0,,0.0,,0.0,0.0,,,,,,,0.0,0.0,CID3235671,CCOCCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,0.0,,0.0,,,,,0.0,,,,,,,CID659642,Cc1cccn2cc(-c3ccccc3)nc12
+,,,,,,,,,,,,,,0.0,,,CID4577500,c1ccc2c(SCc3cn4ccccc4n3)nncc2c1
+,,,,,,,,,0.0,,,,,,,,CID9551548,Cc1ccc2[nH]c(=O)c3cc(C(=O)N(CCCOC(C)C)Cc4ccco4)sc3c2c1
+,,,,,,,,0.0,,,0.0,,,,,,CID664221,COC(=O)C(C)NC(=O)Nc1cccc(C(F)(F)F)c1
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+,,,,,,,,,,,0.0,,,,,,CID6413186,CN(NC(=O)c1ccc(Cl)cc1)c1nc(-c2ccccc2)nnc1C(F)(F)F
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+,,,,,,,,,,,,,0.0,,,,CID3803060,CCOC(=O)c1cnc2c(cnn2C)c1Cl
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+,,,0.0,,,,,,,,,,,,,0.0,CID2999585,CCOC(=O)CN1C(=O)NC(C)(c2ccc(OC(F)F)cc2)C1=O
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+,,,,,,,,,,0.0,,,,,,,CID4348097,O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2766505,COC(=O)c1cn(-c2ccccc2)nc1-c1ccncc1
+,0.0,,,,,0.0,,0.0,,,,,,,,0.0,CID3242465,CCCC(=O)Nc1c2c(nn1-c1ccc(OC)cc1)CS(=O)(=O)C2
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+,,,0.0,0.0,,,,,,,,,,,,,CID663556,CCCCCn1c(Sc2ncccn2)nc2c1c(=O)[nH]c(=O)n2C
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+,,,,,,,,,,,,,0.0,,,,CID4989413,O=C(O)CC(NC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2126251,O=C(CSc1nc2ccccc2c(=O)n1CCCN1CCOCC1)c1c[nH]c2ccccc12
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+,,,,,,,,,,,,,0.0,,,,CID11837796,Cc1ccc(C(=O)COC(=O)C2CC(=O)N(c3nc(-c4ccccc4)cs3)C2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID2909436,O=C(C1CCCO1)N1CCN(C(=S)Nc2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID16191759,CC(C)N1CCN(Cc2ccccc2C(F)(F)F)CC1CCO
+,,,,,0.0,,,,,,,,,,,,CID969975,COc1ccc(Cl)cc1NC(=O)Nc1cccc([N+](=O)[O-])c1C
+,,,,,,,,,,,,,,0.0,,,CID703967,Cc1nc2cc(NN=C3C(=O)CCCC3=O)ccc2s1
+,,,,0.0,,,,,,,,,,,0.0,,CID2236728,CCCOc1ccc(S(=O)(=O)NCCCN2CCOCC2)c2ccccc12
+,,,,0.0,0.0,,0.0,,,0.0,,,,,,,CID649192,CCCN1C(=O)c2ccccc2NC1c1ccc(OC)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID5456435,COC1=C/C(=C\NNC(=O)c2ccccc2NC(=O)c2ccc(OC)cc2)C=CC1=O
+,,,,,,,,,,,0.0,,,,,,CID660277,COc1ccc(N2CCN(C3CC(=O)NC3=O)CC2)cc1
+,,,,,,0.0,,0.0,,,,,,,,,CID667737,O=C(O)CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2095524,O=C(NC1=NCCS1)c1cccc(N2C(=O)c3ccccc3C2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID827833,CCc1cccc(CC)c1NC(=O)CO/N=C(\C)c1cccs1
+0.0,,,,,,,,,,,,,,,,,CID2078591,O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N1CCCCC1
+0.0,,,,,,0.0,,0.0,0.0,,,,,,,0.0,CID3236601,COc1ccc(CNC(=O)C2CC(c3ccc(OC)cc3)=NO2)cc1
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+,,,,,,,,0.0,,,,,,,,,CID9550878,COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NCc2ccco2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID6052040,C/C=C/C(=O)NCCc1ccc(OC)c(OC)c1
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+,,,,,,,,,,0.0,,,,,,,CID4877559,N#Cc1ccsc1NC(=O)CN1CCN(c2ccccn2)CC1
+,,,,,,,,,,0.0,,,,0.0,,,CID849417,CCOC(=O)c1cnc(SC)nc1Nc1cccc2ccccc12
+,,,0.0,,,,0.0,,,,,,,,,,CID5309509,COCCCNC(=O)Cn1cc2c(n1)CCCCC2
+,,,,,,,,0.0,,,,,,,0.0,,CID2942930,C=CCNC(=O)C1CC(=O)N(c2ccc(OCC(=O)Nc3cccc(OC)c3)cc2)C1
+,,,,,,,,,0.0,,,,,,,,CID3184983,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3ccc(OC)c(OC)c3)o2)cc1
+,,,,,,,,,,,,,,,,0.0,CID5742458,C/C(N)=C(/C#N)C(=O)COC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C
+,,,,,,,,,,,,,0.0,,,,CID825353,CCCc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1
+,,,,,,,,,,,,,,0.0,,,CID1466859,Cc1sc2nc(C3CC3)nc(SCC(=O)N3CCc4ccccc4C3)c2c1C
+,,,,,0.0,,,,0.0,,,,,,,,CID752653,C=CCn1c(N)c(C(=O)Nc2ccc(C)cc2)sc1=S
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID662098,COc1ccccc1N(O)C1CC(=O)N(c2ccc(Br)cc2)C1=O
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+,,,0.0,,,,,,,,,,,,0.0,0.0,CID645327,COc1cccc(-c2nnc(SCCC(=O)O)n2C)c1
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+,0.0,,,,,,,,,,,,,,,,CID3244719,CC(=O)c1c(C)[nH]c(C(=O)NCc2ccccn2)c1C
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+,,0.0,,,,,,,,,0.0,,,,,,CID660313,CCOC(=O)C1CCCN(c2nc3ccccc3nc2C(C#N)C(=O)NCc2ccccc2)C1
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+,0.0,,,,,,,,,,,,,,0.0,,CID649576,Cc1nnc(N(Cc2ccco2)C(=O)c2cccc(C#N)c2)s1
+,,,,,0.0,,,,,,,,0.0,,,,CID2283286,COc1ccccc1OCCCOc1ccc([N+](=O)[O-])cc1Cl
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+,,,,,,,,,,,,,0.0,,,,CID984873,O=C(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc(F)c2)c1
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+,,,,,,,,,0.0,,,,,,,,CID3530643,CCCCN(CC)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)o1
+,,,,,,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,CID2204632,CCCNS(=O)(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1
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+,,,,,,,,,,,,,0.0,,,,CID1518458,CS(=O)(=O)NN1C(=O)c2ccccc2NC12CCCC2
+,,,,,,,,,,,,,,0.0,,,CID1361660,O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)Nc1cccc(Cl)c1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,0.0,CID3240370,O=C(c1csc2c1CCCCC2)N1CCN(c2ncccn2)CC1
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+,,,,,0.0,,,,,,,,,,,,CID2956782,CCN1CCN(C(=S)c2ccc(OCC(=O)N3CCOCC3)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID6618854,CCCNC(=O)c1csc2c1CCCCC2
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+,,,,,,,,,0.0,,,,0.0,,,,CID1640930,CCCCOC(=O)Nc1cccc(Cl)c1C
+,,,,,,0.0,0.0,0.0,,,,0.0,0.0,0.0,0.0,,CID663884,O=C(OCc1cc2ccccc2[nH]c1=O)c1ccco1
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+0.0,,0.0,,0.0,,,0.0,,,0.0,,,,,,,CID655284,Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID796077,CCOC(=O)c1cnc(-c2ccccc2)nc1N1CCOCC1
+,,,,,0.0,,,,,,0.0,,,,,,CID878002,c1ccc2c(c1)nc(N1CCOCC1)c1nncn12
+,,,,,,,,,,,,,0.0,,,,CID2569842,O=[N+]([O-])c1cc(Cl)ccc1Oc1ccc(-c2nnco2)cc1
+,,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID708443,O=C1Nc2ccc(S(=O)(=O)N3CCOCC3)c3cccc1c23
+,,,,,,,,,,,,,,0.0,,,CID1121878,CNc1nnc(-c2cc3cc(Cl)ccc3oc2=O)s1
+,,,,,,,,,,,,0.0,,,,,CID718920,CC(C)(O)C#Cc1ccc(C(=O)NCc2cccs2)s1
+0.0,,0.0,,0.0,,,,0.0,0.0,,0.0,0.0,,,,,CID3240557,CCOc1ccc(CCNC(=O)CCc2nc(-c3ccc(C)cc3)no2)cc1OCC
+,,,,,,,0.0,,,,,,,,0.0,,CID644564,Cc1cccc2cc(C#N)c(N3CCCC3)nc12
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID2999103,O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
+,,,,,,,,0.0,0.0,,,,,,,,CID4651693,CN(C)C(=O)N1CCCC(C(=O)NCCc2ccccc2)C1
+,,,,,,,,,,,,,,0.0,,,CID2563109,COc1ccc(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c([N+](=O)[O-])c1
+,,,,,,,,,,,,0.0,,,,0.0,CID3241964,CC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3c(C)noc3C)cc2)c1
+,,,,,0.0,,,,,,,,,,,,CID5349611,COc1ccc(C(=O)N/C(=C/c2ccc(OCCOc3ccccc3OC)cc2)C(=O)NCC2CCCO2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2891522,CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID821672,CCN(CC)C(=S)SCc1cc([N+](=O)[O-])ccc1OC
+,,0.0,,,,,,,,0.0,,0.0,,,,,CID662090,Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CC3CCCO3)c2=N)cc1
+,,,,0.0,,,,0.0,,,,,0.0,,,,CID684983,CSc1nsc(SC)c1NC(=O)OCCc1ccccn1
+0.0,0.0,0.0,,,0.0,,,0.0,0.0,,0.0,,,,0.0,,CID623917,CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccn2)cc1
+,,,,,,,,,,,0.0,,,,,,CID2125024,Nn1c(SCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)nnc1-c1cccs1
+,,,,,0.0,,0.0,,,,,,,,,,CID714168,CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C
+,,,,,,,,,,0.0,,,,,,,CID2998665,O=C(CSc1nnc(-c2cccs2)n1CC1CCCO1)c1cc2ccccc2o1
+,,,,0.0,,,,,,,,,,,,,CID3242691,Cc1cccc(-c2nc(CSCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)o2)c1
+,,,,0.0,,,,,0.0,,,,,,,0.0,CID1091701,CC(=O)Cc1nsc(NC(=O)c2cc(-c3cccc(C(F)(F)F)c3)oc2C)n1
+,,,,,,,,,,,,0.0,,,,,CID5310189,O=C(CN1C(=O)CCC1=O)Nc1nc2c(F)cc(F)cc2s1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID667283,Cc1cc(C)c2c(n1)nn1c(NCCN3CCOCC3)cc(C)nc21
+,,,,,,,,,0.0,,0.0,0.0,,,,,CID645974,COc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N(Cc3ccco3)CC3CCCO3)cc2c1
+,,,,,0.0,,,,,,,,,,,,CID2274060,Cc1ccc(N2C(=O)/C(=C/c3cccc4ccccc34)SC2=S)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1514461,COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)/C=C/c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1470949,COc1ccnc(Oc2ccc(Cl)cc2)c1C#N
+,,,,,,,,,,,,,0.0,0.0,,,CID827714,CCOC(=O)c1nc2ccccc2c(=O)n1-c1cccc(C)c1
+,,,,,,,,,,,,,,0.0,,,CID3091754,COc1cc2c(cc1OC)C(c1cc([N+](=O)[O-])ccc1O)NCC2
+,,,,,,,,,,,0.0,,,,,,CID2974484,O=C(CSc1nc(SCC(=O)NCc2ccccc2)n(-c2ccccc2)n1)NCc1ccccc1
+,,,,0.0,,,,,,,,0.0,,,,,CID662695,C=CCn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1
+,,,,,,0.0,,,,,,0.0,,,,,CID655372,COc1ccc(-c2ccc(=O)n(CC(=O)Nc3cccc(O)c3)n2)cc1OC
+0.0,0.0,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID650335,Cc1ccc(OCc2nnc(SCc3cc(=O)[nH]c4ccccc34)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2212102,CCc1ccc(-n2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2478216,COC(=O)NNC(=S)NCc1ccccc1
+,,,,0.0,0.0,,,0.0,,,,0.0,,,,,CID664256,O=C(CCc1ccc(CCC(=O)c2cccs2)s1)c1cccs1
+,,,0.0,,,,,,0.0,,,,,,,,CID2998748,O=C(Nc1nc(-c2ccccc2)cs1)C1CCCN(S(=O)(=O)c2ccccc2)C1
+,,,,,0.0,,,,,,,,,,,,CID1479483,COCc1cc(Sc2ccc(Cl)cc2)nc(-c2ccccc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3240516,CC(C(=O)O)C1SC(=O)NC1=O
+,,,,,,0.0,0.0,,,,,0.0,,,,,CID2997709,CCC(CO)NC(=O)c1cccc(S(=O)(=O)N2c3ccccc3CC2C)c1
+,0.0,0.0,,0.0,,,,,0.0,,,,,,,,CID2595057,CCc1nnc(NC(=O)c2cc3c(s2)CCCCC3)s1
+,0.0,,0.0,,,,,,,1.0,,,,,0.0,,CID866965,CCSc1nc2n(-c3ccc(C)cc3)[nH]cc-2c(=O)n1
+,,,,,0.0,,,,,,,,,,,,CID871137,O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)c1cccs1
+,,0.0,0.0,,,,,,,,,,,,,,CID2235676,COc1cccc(NC(=O)CNC(=O)c2ccc(F)cc2)c1
+,,,,,,,,0.0,0.0,,0.0,0.0,,,,,CID3235879,Cc1ccc(Cn2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1
+,,,,,,,,,,,,,0.0,,,,CID1482302,O=c1c2ccccc2oc2nc3ccn(Cc4ccncc4)c(=O)c3cc12
+,,,,,0.0,,,,,,,,,,,,CID5524089,Cc1ccc(NC(=O)N/C=C/c2ccccc2)cc1
+,,,,,,,,,,,0.0,,,,,,CID9551206,CCCCNC(=O)C1c2ccccc2C(=O)N(c2ccc(OC)cc2)C1c1ccc(OC)cc1
+,,,,,,0.0,,0.0,,0.0,,,0.0,0.0,0.0,0.0,CID592173,CCCOc1ccc(C(=O)N2CCCC2)cc1OC
+0.0,,,,,,0.0,,,,,,,,,0.0,,CID664845,CN(C)CCNc1oc(COc2cccc(Cl)c2)nc1C#N
+,,,,,,,,,0.0,,,,,,,,CID652861,Cc1cc(NC(=O)CCC(=O)N(CCC(C)C)CC(=O)NCC2CCCO2)no1
+,,,,,,,,,,,,,,0.0,,,CID4835628,c1ccc(N/N=C(/Cc2ncc[nH]2)c2ccccc2)cc1
+,,,,,0.0,,,,,0.0,,,0.0,,,,CID653294,COCCCn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1
+,,0.0,,,,,,,,,,,,,,0.0,CID650505,CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID651621,O=C(Cn1c(-c2cncs2)nc2ccccc21)NC1CCCC1
+,,0.0,,,,,,,,,,,,,,,CID5668702,O=C1C=C/C(=C2/NNC=C2c2cccc3cccnc23)C(O)=C1
+,,,,,,,,,,,,0.0,,,,,CID3242370,CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O
+,,,,,0.0,,,0.0,,,,,,,,,CID247215,Cc1cccc(C(=O)N2CCCCCC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2097755,COc1cc(CCC(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID878358,CCOC(=O)c1sc(C)c2c(=O)n(CCc3ccccc3)nnc12
+,,,,,,,,,,,,,,0.0,,,CID2447792,C=C(C)C(=O)OCC(=O)NCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1480584,CC(C)(C)S(=O)(=O)c1cnc2c(S(=O)(=O)c3ccccc3)cnn2c1N
+,,,,0.0,,,,,0.0,,,,,,,,CID2120108,Cc1ccccc1C(=O)/C=C1\NC(=O)CS1
+,,0.0,,,,,,,,,,,0.0,,0.0,,CID2961887,COCc1[nH]nc2c1C(C1C=CCCC1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID1474642,Fc1ccc(-c2ccnc(=S)[nH]2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID5389662,CCC(Nc1ccc(OC)cc1OC)=C1C(=O)N(C)C(=O)N(C)C1=O
+0.0,,,,,,,,,0.0,,,,,,,,CID1160933,Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21
+0.0,,,,,,,,,,,,0.0,,,,,CID661874,Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2Cc1ccco1
+,,,,0.0,0.0,,,,,,0.0,,,,,0.0,CID648866,O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)Nc1nc(-c2ccc(F)cc2)cs1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID3237399,Cc1cc(N2CCOCC2)nc2ccc(NC(=O)CCC(=O)N3CCCC(C)C3)cc12
+0.0,,,0.0,,,,,,,0.0,,,,0.0,,,CID692942,O=c1oc(-c2ccccc2)nc2c1cnn2-c1ccccc1
+,0.0,0.0,0.0,0.0,,,,,,,0.0,0.0,,,0.0,0.0,CID1360786,COc1ccc(S(=O)(=O)N2CCN(Cc3cccc(Cl)c3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2888100,COc1ccc(C2CC(c3ccccc3)=NN2C(C)=O)cc1
+,,,,,0.0,,,0.0,0.0,,,,,,,,CID876418,O=C1c2ccccc2NC2(CCCC2)N1O
+,0.0,,,,0.0,,,,,,,,,,,,CID3245371,COc1ccccc1-n1c(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n[nH]c1=S
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2527172,Cc1nc2ccccc2nc1CSc1nncs1
+,,,,,,,,,,,0.0,,,,,,CID3229404,CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N1CCCC(C)C1
+,,,,,,,,,0.0,,,,,,,,CID2487687,Cc1ccc(C(=O)Cn2ncsc2=N)cc1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID3242221,COc1ccc(Br)cc1CNC(=O)C1CCCN(c2nc3ccccc3o2)C1
+,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,0.0,,CID972417,c1ccc(-c2csc(Nc3cccnc3)n2)nc1
+,,0.0,,,,,,0.0,,0.0,,0.0,,,,,CID645761,COc1ccc(-c2nnc(SCC(=O)c3cccs3)o2)c(OC)c1
+,,,,0.0,,,,,,0.0,,,,,,,CID3242269,CC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(C)CC1
+,,,,,0.0,,,,,,,,,,,,CID2917368,CCn1c(C(c2ccccc2)c2ccccc2)n[nH]c1=S
+,,,0.0,,,,,,0.0,,,,,,,,CID807086,COc1cccc(Oc2ccc(N)cc2)c1
+,0.0,,0.0,0.0,,0.0,,,0.0,,,0.0,,,,,CID877354,Nc1nnc(SCc2ccc3c(c2)OCO3)s1
+,,,,,,,,0.0,,,,,,,,,CID1490432,CO/N=C(/Cn1ncc(N2CCCC2)c(Br)c1=O)c1ccc(Cl)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3243673,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccn1
+,,,,,,,,,,0.0,,,,,,,CID2842825,CCC(C)n1cnc2c(=O)oc3ccccc3c21
+0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID648793,COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1
+,,,,,,,,,0.0,,,,,,,,CID1454213,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)S(=O)(=O)c1ccc2ccccc2c1
+,,0.0,,,,,,,,,0.0,0.0,,,,0.0,CID2843634,CC1(C)CC(=O)C(=CNCCN2CCN(C(=O)Cc3ccccc3)CC2)C(=O)C1
+,,,,,,,,,,,,0.0,,,0.0,0.0,CID3238213,Cc1c(NS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)c(=O)n(-c2ccccc2)n1C
+,,0.0,,,,,,,,,,,,,,,CID5310393,COc1ccc(C(c2sc3ncnn3c2O)N2CCN(c3ccccc3F)CC2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID958120,COc1ccc(C(=O)Oc2cccc(/C=N/NC(N)=S)c2)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID2915578,O=C(C1CCC(N2C(=O)C3CC=CCC3C2=O)CC1)N1CCCCC1
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID2538646,Cc1ccccc1Nc1nc(N)nc(COC(=O)CCS(=O)(=O)c2ccccc2)n1
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID648286,Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1
+0.0,0.0,,,,,,0.0,,0.0,,,0.0,,0.0,,,CID662096,Cc1cccc(C)c1N1C(=O)CC(N(O)c2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID9551353,CN(C)c1cccc(C(=O)Nc2ccc3nc4n(c(=O)c3c2)CCCCC4)c1
+,,,,,,,,,,,0.0,,,,,,CID1489495,Cc1nc(CSc2ccc(Cl)cc2)cc(N2CCOCC2)n1
+,,,,,,,,,0.0,,,0.0,,,,,CID2401504,COc1cc2c(cc1NC(=O)CSCC(=O)O)oc1ccccc12
+,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,,CID664039,O=C(CSc1ncnc2c1oc1ccccc12)NCC1CCCO1
+,,,,,,,,0.0,,,,,,,,,CID1796356,CCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
+0.0,,,,,,,,,,,,,0.0,,,0.0,CID649419,O=C(CN1C2CCCC1CC(NC(=O)c1ccco1)C2)Nc1ccccc1C(F)(F)F
+,,,0.0,,,,,,,,0.0,,,,0.0,0.0,CID651528,Cc1ccc(NCc2nnc(SCC(=O)Nc3ncc(C)s3)n2CC2CCCO2)c(C)c1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID2953456,O=C1CC(C(=O)Nc2ccccc2)N=C(N2CCOCC2)N1
+0.0,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID3239780,COc1ccc(-c2nnc3ccc(SCC(=O)N4CCN(c5ccccc5)CC4)nn23)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID1017690,Cc1nc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)ccc1Br
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,,CID5307470,Cc1nc2ccccc2c2oc(C(=O)N3CCN(C4CCCCC4)CC3)cc12
+,,0.0,,,,,0.0,,,,,,,,,,CID654795,CCOC(=O)Cc1[nH]nc2c1C(c1cccc(OC)c1OC)C(C#N)=C(N)O2
+0.0,0.0,0.0,,,,,,,,,0.0,0.0,,,,0.0,CID1265528,CC(C)C(=O)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID2887357,CCCC1CCc2c(sc(N)c2C(N)=O)C1
+,,,,,,,,,0.0,0.0,,,,,,,CID1429298,O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1
+0.0,,,,,,,,,0.0,,0.0,,,,,,CID1318798,CN(C)c1nc(Oc2ccc(C(=O)OCC(=O)Nc3ccccc3)cc2)nc(N(C)C)n1
+,,,,,,,,,,,0.0,,,,,,CID1487201,COc1ccccc1CNCC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1389939,CC(C)CC[n+]1ccn(-c2nc3ccccc3nc2[N-]S(=O)(=O)c2ccccc2)c1
+,,,,,,,,,,,0.0,,,,,,CID1827921,CC(=O)NCCOC(=O)Nc1ccncc1
+0.0,0.0,,,,,,,,,,,,,,,,CID3239927,Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NCc2cccs2)CC1
+,,,,,,0.0,,0.0,,0.0,0.0,,,,,0.0,CID2942559,CCc1ccc(OCc2nc(-c3ccccn3)no2)c(Br)c1
+,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,,,CID751378,CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1
+,,,,,,,0.0,,,,,,,0.0,,,CID105078,CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12
+,,,,,,,,,,,0.0,,,,,,CID1211170,O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)NCc1ccc(Cl)cc1
+0.0,,,,,,,,,,,,,,,0.0,,CID652712,COc1cc(-c2nnn(CC(=O)NC3CCS(=O)(=O)C3)n2)ccc1OCc1ccccc1
+,,,,,,,,,,0.0,0.0,,,,,,CID1301613,CCCC(=O)Nc1ccccc1NC(=O)c1cc(OC)c(OC)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID1447082,Cc1nnc(N(C)C(=O)c2ccc3c(c2)OCO3)s1
+,,,,,,,,,,0.0,,,,,,,CID848533,CCOC(=O)c1cc2cc3ccccc3cc2[nH]1
+0.0,,,,,,,,,,,0.0,,,,,,CID656108,COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1OC
+,,,,0.0,,,,,,,,,,,,,CID3244170,COc1ccc(C2SCC(=O)N2c2c(C)n(C)n(-c3ccccc3)c2=O)c(OC)c1
+,,,,,,0.0,,,0.0,,,,,,0.0,,CID14562,Nc1cc(-c2ccccc2)ccc1O
+0.0,0.0,,,,,,,,0.0,,,,,,0.0,,CID656010,Cc1cc(C)nc(N2CCC(C(=O)NCc3cccs3)CC2)n1
+,0.0,,,,,,,,,,,0.0,,,,,CID882138,Cc1cccc(-c2nc3ccccc3c3nncn23)c1
+,,,,,,,,,,,1.0,,,,,,CID5048348,COC(=O)c1ccccc1NC(=O)c1c(Br)cnn1C
+0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,0.0,CID646238,COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)c(OC)c1
+,,,,,,,,,0.0,,,0.0,,,,,CID893152,CCOC(=O)c1ccc(N2Cc3ccccc3C2)cc1O
+,,,,,,,,0.0,,,0.0,,,,,,CID709709,COc1ccc2nc(NC(=O)CN3CCOCC3)sc2c1
+0.0,,0.0,,,,0.0,,,,,0.0,,,,,,CID3236269,O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)NC1CCCC1
+,0.0,,,,,,0.0,,,,,,,,,,CID5310142,CCCc1nc(SCC(=O)N2CCc3ccccc32)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,,,,,,0.0,,,,,,,,,CID896631,CCS(=O)(=O)Nc1cc(C(=O)OC)ccc1C(=O)OC
+,0.0,,0.0,,,0.0,,,,,,,,,,,CID799232,CCOc1ccc(Nc2ncnc(N)n2)cc1
+,,,,,,0.0,,,,,,,,,,,CID655455,Fc1cccc(Cl)c1Cn1nnc2c(-n3ccnc3)ncnc21
+0.0,,,,,,,,,,,,,,,,,CID5310684,CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC3CCCO3)C2c2ccc(C)o2)cc1
+,,,,,,,0.0,,,0.0,,,,0.0,,,CID1147488,CCOC(=O)C1CCN(C(=O)c2cc(OCC)c(OCC)c(OCC)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2976794,CC(C)CNC(=O)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
+,,,,,,,,0.0,,,,,0.0,,,,CID2712498,CSc1nsc(SCC(=O)Nc2ccc(C(C)=O)cc2)n1
+,,,,,,,,0.0,,,,,,,,,CID659752,Cc1ccc(C)n1Cc1ccc(C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID4569104,CCOc1ccc(C2C(C(=O)Nc3cc(C)on3)c3ccccc3C(=O)N2CCN2CCOCC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID649786,CCCCn1c(SCC(=O)N2CCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,,,0.0,,,,,,CID3211816,C=CCN(C(=O)CNC(=O)c1ccco1)C(C(=O)NC1CCCCC1)c1ccc(OC)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID660212,Fc1cnc(N2CCOCC2)nc1NCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID878508,Cc1cc(Br)c2[nH]c3c(c2c1)CCCC3=O
+,,,,,,,,0.0,,,,,,,,,CID662227,CC1(C)CC(=O)C2=C(C1)N(CC1CCCO1)C(=O)C2(O)C(F)(F)F
+,,,,,,,,,,,,,,,0.0,,CID3124991,CCN1CCCC1CNC(=O)c1cc(NC(C)=O)c(N(C)C)cc1OC
+,0.0,,,,,0.0,0.0,0.0,,,0.0,,,,,,CID389547,Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(N(C)C)cc1
+,,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID2171051,COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1OC
+,,,,,,,,0.0,,,0.0,,,,,,CID1094077,Cc1cc(=O)nc(SCC(=O)Nc2ccc(C(=O)O)cc2)[nH]1
+,,,,,,,,,,,0.0,,,,,,CID3239671,COCC(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID3107873,CNCC(O)COc1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID895997,O=C(c1cc(Cl)ccc1[N+](=O)[O-])N1CCc2ccccc2C1
+,,,0.0,0.0,,,,,,,,,,,0.0,0.0,CID2155653,CSCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)o1
+,,,,,,,,,,,0.0,,,,,,CID842761,Cc1cc(C(F)F)n2ncc(C(=O)O)c2n1
+,,,,,,,,,,,,,,0.0,,,CID5220356,O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(c1ccccn1)c1ccccn1
+,,,,,,,,,,,,,0.0,,,,CID4576746,O=C(c1cc(Sc2cccc(Cl)c2)nc2ccccc12)N1CCN(c2ccccn2)CC1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID3239732,CN(CC(=O)Nc1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc2nsnc12
+,,,0.0,,,,0.0,,,,,,,,,,CID756256,CCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CS(=O)C2
+,,,,,,,,,,,,,0.0,,,,CID2461611,CC(C)Cn1c(N)c(C=O)c(=O)n(C)c1=O
+,,,,,,,,,0.0,,,,,0.0,,,CID1165919,COc1ccc(NC(=O)CSc2nnc(Cn3nnc4ccccc43)n2C)cc1
+0.0,,,0.0,0.0,,,,0.0,,,,,,,0.0,,CID2178480,CCOC(=O)c1sc(NCCNc2nc(C)c(C(=O)OCC)s2)nc1C
+,0.0,,0.0,,,,0.0,,,,,,,,0.0,0.0,CID1888166,CCOC(=O)c1c(N)n(CCN2CCCCC2)c2nc3ccccc3nc12
+,,,0.0,,0.0,0.0,,,0.0,0.0,,0.0,,0.0,0.0,,CID2337962,CC(C)(C)c1ccc(NC(=O)COC(=O)C2=COCCO2)cc1
+,0.0,,,,,,,,,,,,,,,0.0,CID1299466,CCOC(=O)N1CCN(S(=O)(=O)c2cccc3ccc(C)nc23)CC1
+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID665057,O=C(Nc1nnc(CCN2CCOCC2)s1)C1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID957371,CC(=O)N1N=C(c2ccncc2)OC12CCCCC2
+,,,,,0.0,,,,,,,,,,,,CID609542,O=C1CC(c2ccc([N+](=O)[O-])cc2)=NN1
+,,,,,0.0,,,,,,,,,,,,CID11957123,CCCCCCC/C(C)=N/NC(=O)CC(=O)NCCc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID666938,COc1cc(OC)c(C2CC(=O)N3CN(c4ccccc4C)CSC3=C2C#N)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID1254644,O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cccs1
+,,,,,,,,0.0,,,,,,,,0.0,CID2849054,COc1ccc2c(c1)OC(O)(C(F)(F)C(F)F)CC2=O
+,,0.0,0.0,,,,,,,,,,,,,,CID2845279,COc1cccc(N2CCN(C3CCCC(C)C3)CC2)c1
+,,,0.0,,,,,,,,,,,,,,CID5360356,O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCC3)c2o1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID657921,CSC1=C(C#N)C(CC(C)C)C2=C(CCCC2=O)N1
+,,,,,,,,,,,,,,0.0,,,CID1207040,Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID3440235,C=CCC(C#Cc1ccc(C)cc1)N(CC)CC
+,,,,,,,,,,,,,0.0,,,,CID4003465,CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1
+,,,,,0.0,,0.0,0.0,,,,,,,,,CID653817,COC(=O)c1cccc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2ccco2)c1
+0.0,0.0,,,,,0.0,,,,,0.0,,,,,,CID653225,Cc1cc(C)cc(NC(=O)N2CCC(c3nc4ccccc4o3)CC2)c1
+,0.0,,,0.0,,0.0,0.0,,,,,0.0,,,0.0,,CID655710,COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(OC)c(OC)c3)C2)cc1
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,0.0,CID648617,Cc1cc(C)cc(N(C(=O)CNC(=O)c2ccco2)C(C(=O)NC2CCCC2)c2cccnc2)c1
+,,,,,,,,0.0,,,0.0,,0.0,,0.0,,CID592766,COc1ccc(NC(=O)NS(=O)(=O)c2ccc(C)cc2)c(OC)c1
+,,,,,,,,,0.0,,,,,,,,CID2792414,CCCCC(Nc1ncnc2ccccc12)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID2336530,Nc1c(-c2ccccc2)c(CN2CCOCC2)nn1-c1ccc(F)cc1
+,,,,,,,,,,,,,0.0,,,,CID5521841,Cc1cc(=O)oc2cc(OCC(=O)NN/C=C3\C=C([N+](=O)[O-])C=CC3=O)ccc12
+,,,,,,,,,,,,,,0.0,,,CID2878770,COc1ccc(C2=CC(=O)CC(c3ccccc3)C2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2202906,O=C(OCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID9540794,CCOc1cc(/C=N/Nc2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1
+,0.0,,,,,0.0,,0.0,,,0.0,0.0,0.0,0.0,,,CID831701,O=c1nc(Nc2nc3ccccc3o2)[nH]c2c1CCCC2
+,,,,,,,,,,0.0,,,,,,,CID3215661,CC(C)c1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2ccco2)c2cccnc2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3231223,CCOC(=O)C1CCCN(c2ccc(NC(=O)c3snc4c(=O)nc(C)[nH]c34)cc2)C1
+,,,,,,,,,,0.0,,,,0.0,,,CID2474913,Cc1cc(C)n2nc(SCC(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)nc2n1
+,,,,,,,,,,,,,0.0,,,,CID2413704,COc1cc2c(cc1NC(=O)CSc1cccc[n+]1[O-])oc1ccccc12
+,,,0.0,,,0.0,0.0,,,,,0.0,,,,,CID604485,N=c1nc(-c2ccccc2)ccn1O
+,,,,,,,,,,,,,0.0,,,,CID848945,S=c1[nH]nc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1
+,,,,,,,,,,,,,,0.0,,,CID1080347,N#Cc1ccccc1Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1371830,COc1ccc(S(=O)(=O)N/N=C/c2ccc(OCCN3CCOCC3)c(OC)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID5771372,CC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1Cl
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID663964,Cc1ccc(Cn2c(SCCN3CCOCC3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,0.0,,,,,,,,,,,,,,CID5389698,COC(=O)c1[nH]c(C)c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2ccco2)c1C
+,,,,,,,,,,,,,,0.0,,,CID1504385,CCOc1ccc(Cc2noc3c2C(=O)CC(C)(C)C3)cc1OCC
+,,,,,,,,0.0,,,,,,,,,CID4877442,O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCCCn1ccnc1
+,0.0,,0.0,,,,,,,,,,,,,,CID660326,CCNC(=O)N(C(=O)NCC)n1c(C)nnc1C
+,,,,,,,,,0.0,,,,,,,,CID649579,COCCn1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2ccccc2F)CC1
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,0.0,,0.0,0.0,,,,CID653310,Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1cccs1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2943305,CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
+,,,,,,,,,,,,,0.0,,,,CID3373363,Cn1c(-c2c(N)n(-c3ccccc3)c3nc4ccccc4nc23)nc2ccccc21
+,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,CID1088487,CC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12
+,,0.0,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,0.0,,,CID715043,CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C)sc2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1120539,CCOc1ccccc1N(CC(=O)N1CCCC1)S(=O)(=O)c1ccccc1
+,,0.0,,,,,0.0,,,,,,0.0,,,0.0,CID653791,CC(C)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1798612,Cn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1nccs1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,0.0,0.0,CID653572,O=C(CSc1nnnn1-c1ccc2c(c1)CCC2)NCc1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1930052,COCCCNC(=O)c1c(NC(=O)c2ccccc2)n(Cc2ccccc2)c2nc3ccccc3nc12
+,,,,,,,,0.0,0.0,,,,,,,,CID3125498,Cc1nnc(SC2CC(=O)N(c3ccccc3)C2=O)s1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID5308342,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)NCc1ccccc1
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+0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,0.0,CID3241969,CCCC1c2ccc(C)n2CCN1C(=O)Nc1ccccc1Cl
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+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3239348,O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
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+,0.0,,,0.0,,,0.0,,0.0,,,,,,,,CID1242591,CCN(Cc1ccccc1)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
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+,,,,,,,,,,,,,,0.0,,,CID3574188,CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)cc1
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+,,0.0,,,,,,,,,,0.0,,,,,CID2219849,COCCNC(=O)CCCCCN1C(=O)CCC1=O
+,,,,,,,,,,,0.0,,,,,,CID849706,Cc1cc2c(n1-c1ccc(C(N)=O)cc1)CC(C)(C)CC2=O
+,0.0,,,0.0,,,,,,,,,,,,,CID652839,CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2ccc(C)nc21
+,,,,,,,,,,,,,0.0,,,,CID2273643,CCOC(=O)C(=O)Nc1ccc(OC)c(Cl)c1
+,,,,,,0.0,,0.0,,,,0.0,,,,0.0,CID2155619,CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1
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+,,,,,,,,,,,,0.0,0.0,,0.0,,CID2932338,Cc1ccc(C(=O)NCC2CCCO2)o1
+0.0,,,,,,,,,,,,,,,,,CID4693065,O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Cl)ccc2N1
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+,,,,,0.0,,,,,,,,,,,,CID3131163,Cn1cnc2c1c(=O)n(Cc1ccc(F)cc1)c(=O)n2C
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+,,,,,,0.0,,,0.0,,,,,,0.0,0.0,CID2883813,CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12
+,,,,,,,,,,,,,0.0,,,,CID1940329,COC(=O)c1ccc(C(=O)OC)c(NC(=S)N2CCN(c3ccccc3)CC2)c1
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+,,,,,,,,,,,,,,0.0,,,CID769005,COc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1OC
+,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID3242618,CCOc1cc2[nH]c(=O)n(CC3CCC(C(=O)NC(C)CC)CC3)c(=O)c2cc1OCC
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+,,,,,,,,0.0,,,0.0,,0.0,,,,CID891394,CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)O)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID649633,COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3)c(=O)c2cc1OC
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+,,,,,,,0.0,,,0.0,,0.0,,,0.0,,CID664604,O=C1c2oc3ccccc3c(=O)c2C(c2cccs2)N1CCCN1CCOCC1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID666994,CCn1nnc(NC(=O)c2cccnc2)n1
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,0.0,,,0.0,CID896042,Cc1occc1C(=O)NCc1cccs1
+0.0,0.0,,,,,,,,0.0,,,,,,,,CID661613,Cc1nnc(SCC(=O)N2CCC(C(N)=O)CC2)s1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID721063,CC(=O)c1ccc(Oc2cc(C)nc(NCc3ccccc3)n2)cc1
+,,,0.0,,,0.0,,0.0,0.0,,,,,0.0,0.0,0.0,CID763016,O=C(O)c1ccc(NCc2ccc3c(c2)OCO3)cc1
+,,,,,0.0,,,,,,,,,,,,CID846003,CC(=O)Nc1cc(-c2ccc(C)cc2)[nH]n1
+,0.0,,,0.0,0.0,,0.0,0.0,0.0,,,,,,,,CID3236235,COc1ccc(OC)c(C2=NOC(C(=O)NCc3ccccn3)C2)c1
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+0.0,,0.0,0.0,,,,,0.0,0.0,,0.0,,,,,0.0,CID3238455,CCOc1ccc(NC(=O)NC2CCOC(C)(C)C2)cc1
+,,,,,,,,,0.0,,,,,,,,CID645638,Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC2CCCC2)c2ccncc2)cc1
+0.0,,,,,,,,,,,0.0,1.0,,,,,CID3245970,Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
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+,,,0.0,,,,,,,,,,,,0.0,,CID2056713,CCNc1nc(SCCOc2ccccc2)nc(N(C)C)n1
+,,,,,0.0,,,,,,,,0.0,,,,CID2319893,Cc1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1C
+,,,0.0,0.0,,,,,,,,,,,,,CID660787,c1ccc(Cn2ncc3c2ncn2nc(-c4ccncc4)nc32)cc1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3239117,Cc1ccc(S(=O)(=O)N/C(CN2CCOCC2)=N/CCNS(=O)(=O)c2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID843060,COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccco1
+,,,,,,,,,,,,,,,0.0,0.0,CID653496,O=S(=O)(c1cccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)c1)N1CCOCC1
+,,,,,,,0.0,,,,,0.0,,,,,CID2059539,O=C(Nc1scc(-c2ccc(F)cc2)c1C(=O)O)c1ccco1
+,,,,,0.0,,,,,,,,,,,,CID5766359,Cc1[nH]c2ccccc2c1/C=C(\C#N)C(=O)NC(C)c1ccccc1
+,,,0.0,,,,,,0.0,,,,,,,,CID5371657,O=C1C=Cc2ccccc2/C1=C/Nn1cnnc1
+,,,,,,,,,,,,,,0.0,,,CID3782109,Cc1ccc(CN2CCOc3ccccc3C2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2842192,Cc1cc(-c2ccccc2)nc(N/N=C/c2ccco2)n1
+,,,,,,,,,,0.0,,,,,,,CID9551395,O=C(CCS(=O)(=O)Cc1ccc(Cl)cc1)NCCCN1CCN(c2ccccc2F)CC1
+,0.0,0.0,,0.0,,0.0,,,,,,0.0,0.0,,,,CID574261,CC(C)(C)c1csc(NC(=O)c2cccs2)n1
+,,,,,,,,,,,,,0.0,,,,CID11958854,CN1CC(c2ccc(Cl)c(Cl)c2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12
+,,,,,,,,,,0.0,,,,,,,CID3235638,COc1ccccc1OCc1ccc(C(=O)OCC2CCCO2)o1
+,,,,,0.0,,,,0.0,,,,,,,,CID877459,Cc1cccc(CSc2nnnn2-c2ccccc2)c1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID2957605,CCOC(=O)C1CC=C(Cl)CC1C(=O)Nc1nccs1
+,,,0.0,,,,0.0,,,,,,,,,,CID666045,CCN1CCN(c2nc(=O)c3c([nH]2)CCCC3)CC1
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID1267444,CC(=O)N(CC(=O)Nc1nn(-c2ccccc2)nc1C(N)=O)Cc1ccccc1
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+,,0.0,,,,,,,,,,,,,,,CID667206,CCC(=O)Nc1ccc2c(c1)nc1n2CCSC1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID801290,Cc1ccc(S(=O)(=O)NCC(=O)N2CCOCC2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3237877,CC(=O)c1cc2cc(O)ccc2o1
+,,,,,,,,0.0,,,0.0,,,,,,CID2569947,COC(=O)C1CCN(CC(=O)Nc2sc3c(c2C#N)CCC3)CC1
+,,0.0,,,,,0.0,,,0.0,,0.0,0.0,0.0,0.0,,CID667307,Cc1occc1-c1nnc(SCC(=O)c2cc3ccccc3oc2=O)o1
+0.0,,,,,,,,,,0.0,0.0,,,,0.0,,CID2291097,C/C(=C\C(=O)c1ccc(Br)cc1)N1CCCCC1
+,,0.0,,,0.0,,,,,0.0,,,,,,,CID795055,COc1ccc(CC/C(=N\O)C2(O)CCCCC2)cc1
+,,0.0,,0.0,,,,,,0.0,,,,,,0.0,CID2901562,O=S(=O)(c1ccc(Cl)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1
+,,0.0,,,,,,,,0.0,,,,,,,CID3244363,COc1cccc(-c2cc(C(=O)NCc3ccco3)no2)c1
+,,,,,,,,,,,,,,0.0,,,CID950750,COc1cccc(CNn2cnnc2)c1O
+,,,,,,,,,,0.0,,,,,,,CID2896642,Cc1c(NC(=O)C(C)Sc2ccccc2)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,,,,,,,,,,,CID2595528,CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccnc3)o2)cc1
+,0.0,0.0,,,,,,,,,,,,,,,CID3243233,O=C(NCCCN1CCOCC1)c1cc(-c2ccc(F)cc2)on1
+,,,0.0,,,0.0,0.0,,,,,,,0.0,,,CID2850328,CC(C)Cc1ccc(C(C)C(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1337443,Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)C2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID790700,Cc1ccc(NC(=O)Nc2ncccc2C)cc1
+,,,,,,,0.0,0.0,,,,,,,,,CID2945292,COc1ccc(OC)c(C(=O)C2COC(=O)C2)c1
+,,,0.0,0.0,,0.0,,,0.0,0.0,,,,0.0,,,CID875577,O=C(CCSc1ccccc1)NC1CCCC1
+,,0.0,,,,,0.0,,,,0.0,0.0,,,,,CID665873,CCOC(=O)N1CCN(c2nc(C)c3c(n2)CC(C)CC3=O)CC1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID647841,c1ccc(CCNc2ncnc3c2nnn3Cc2ccccc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID826947,Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1
+,,,,,,,,,0.0,,,,,,,,CID1226875,C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID890678,Cc1ccc(-c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1
+,,,,,,,,,,,,,,,,0.0,CID2970124,O=C(NCc1ccccc1)C1CC2CCCC(C1)C2=O
+,,,,,0.0,,,,,,,,,,,,CID648758,CC1(C)CC(NC(=O)CCc2ccccc2)CC(C)(C)N1
+,,,,,,,0.0,,0.0,,,,,,0.0,,CID2999771,COC(=O)C1CCN(Cc2cc(=O)oc3cc(OC)ccc23)CC1
+,,,,,,,,,,,,,0.0,,,,CID2860695,COc1ccc(CCN2C(=O)CSC2c2ccc(OC)c(OC)c2)cc1OC
+,,,,,,,0.0,,,,0.0,,,,,0.0,CID2212317,CCOC(=O)N1CCN(C(=O)c2ccccc2N(C)S(C)(=O)=O)CC1
+0.0,,,0.0,,,,,,0.0,,,0.0,,,,0.0,CID1262342,CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2O)c1
+,,,,,,,,0.0,,,,0.0,,,0.0,0.0,CID1090110,Oc1ccccc1CNc1nc2ccccc2n1CCN1CCCCC1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3235948,CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID4371246,Cc1ccccc1C1C(C#N)=C2NC(=O)c3c(sc4c3CCCCC4)N2C2=C1C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,,0.0,,,CID5407558,O=C1C=CC(Br)=C/C1=C\Nc1ccc2[nH]ncc2c1
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID742523,COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1OC
+0.0,,,,0.0,0.0,,,,0.0,,,0.0,0.0,,0.0,,CID2998650,CC1Cc2ccccc2N1C(=O)C1CCCN1S(=O)(=O)c1ccc(Cl)cc1
+,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,,,0.0,CID660763,CCOc1cccc(N2C(=O)CC(N(CCc3ccc(OC)c(OC)c3)C(=O)CC)C2=O)c1
+,,,,,,,,0.0,,,,,,,,,CID5309351,CN1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1
+,,,,,0.0,,,,0.0,0.0,0.0,,0.0,,,,CID2441134,CCCc1ccc(-c2csc(NC(=O)Cc3cccs3)n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3117747,Cc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1
+,,,,,,,,,0.0,,,,,,,0.0,CID850064,COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccco1
+0.0,,,,0.0,,,,,0.0,,,,,,0.0,,CID2941317,N#CC1=C(SCC(=O)NC2CCCCC2)NC(=O)CC1c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1402532,COc1ccc(-c2nnc(NC(=O)CSc3ccc(C)cc3)s2)cc1OC
+,0.0,,0.0,,0.0,,,,,0.0,,,,,0.0,,CID663805,O=C(CCC(=O)NC1CC1)Nc1nnc(C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,,,,CID842822,Cc1ccc(NC(=S)NNC(=O)c2nn(C)cc2Cl)cc1
+,,,,,,,,0.0,,,,,,0.0,,,CID2579712,O=C(CCCOc1ccccc1)N1CCN(S(=O)(=O)c2cccs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID3259540,CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)NC3=NCCCCC3)c2)cc1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID3238970,CCOC(=O)c1cccnc1SC(CC)C(=O)N1CCOCC1
+,,,0.0,,,,,,,,,,,,,0.0,CID3236356,COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1OC
+,,,,,,0.0,0.0,,,,0.0,0.0,,,,,CID3241532,COC(=O)c1ccc(CSc2nnc(CNC(=O)c3ccccc3F)o2)o1
+,0.0,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID1562686,CCCCOC(=O)Nc1ccccc1C(N)=O
+,0.0,,,,,,,,,,,,,0.0,,0.0,CID3244073,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)n2nc(C)cc2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID1970834,c1ccc2sc(NC3=NCN(C4CCCCCC4)CN3)nc2c1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID611015,CCOC(=O)c1cc2n(c1N)-c1ccccc1C2=O
+,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,0.0,,CID649274,CC(OC(=O)c1cc2sccc2n1C)C(=O)NCCc1ccccc1
+0.0,,,,0.0,0.0,,0.0,,,,,,,,0.0,,CID3881360,Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCSc1nc2ccccc2o1
+0.0,,0.0,0.0,0.0,,,,,,,,,,,,,CID3241972,COc1cccc(-c2cc(C(=O)Nc3cc(C)n(Cc4ccc(Cl)cc4)n3)no2)c1
+,,,,,,,,,,,0.0,,,,,,CID4016486,CC1Cc2ccccc2N1CC(=O)Nc1ccc2c(c1)OC(F)(F)O2
+0.0,,,0.0,,,,,,,,,,0.0,,,,CID3243291,Cc1ccc(Cn2ccc(NC(=O)c3noc4c3CC(C(C)(C)C)CC4)n2)cc1
+,,,0.0,,,,,,,,,,,,,,CID2946833,COCCn1c(C23CC4CC(CC(C4)C2)C3)n[nH]c1=S
+,,,,,,,,,,,,0.0,,,,,CID3244756,CCOC1(OCC)N=C(N)C2(C#N)C(c3ccc(NC(C)=O)cc3)C12C#N
+,,,,,,,,,,,,,0.0,,,,CID944701,COc1ccc2[nH]c(=O)c(COC(=O)c3ccco3)cc2c1
+,,,,,,,,,,,0.0,,,,,,CID1293677,Cc1cc(Cl)c(S(=O)(=O)N2CCCCCC2)cc1OCC(=O)NC1CCCCC1
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID2089274,COc1ccccc1-n1cnnc1SCC(=O)Nc1ncc(Cl)cc1Cl
+,,,,,0.0,,,,,,,,,0.0,,,CID840906,COc1ccc(-c2[nH]ncc2/C=C(\C#N)C(=O)NC2CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID805357,C=C(C)c1ccccc1NC1=NS(=O)(=O)c2ccccc21
+,,,,,,,,0.0,,,,,,,,,CID941357,CNC(=O)COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID16189339,CCOCCCNc1ccc(N2C(=O)C3CCCCC3C2=O)cc1[N+](=O)[O-]
+,,0.0,,,,,,,0.0,,0.0,,,,,0.0,CID650459,COc1ccc(Cn2nnnc2CN(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCC2)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID3244146,O=C(c1ccccn1)N(CC1CCCO1)C1(C(=O)NC2CCCCC2)CCCCC1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID935338,COc1ccc(OCC(=O)Nc2ccccc2OC(F)F)cc1
+,,,,,,,,,,,,,0.0,,,,CID2883278,COc1ccc(CCNC(=O)C(=O)Nc2nccs2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID763549,c1csc(-c2cn3ccc4ccccc4c3n2)c1
+,,,,,,,,,,,,0.0,,,,,CID5310593,COC(=O)c1ccccc1NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
+,,,,,,,,,,,,,0.0,,,,CID700002,CCOC(=O)c1ccc(NC(=S)NCc2cccnc2)cc1
+0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID3241737,CCCCCC1CC(=O)N(Cc2ccccc2)C(=O)N1
+,,,,,0.0,,,,,,,,,,,,CID855035,O=C(NC1CCCCC1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID4229853,Cc1ccc(CSCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID717224,COc1cc(OC)cc(C(=O)N2CCN(S(C)(=O)=O)CC2)c1
+,,,,,,,,,,0.0,,0.0,,,,,CID5771716,COC(=O)c1ccccc1NC(=O)C1C/C(=C2/C=CC=CC2=O)NO1
+,,,,,0.0,,,,,,,,,,,,CID2891481,O=C(c1ccccc1F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1
+0.0,0.0,,0.0,,,,0.0,,,,,,,0.0,,,CID728245,Cc1cc(=O)nc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)[nH]1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID1250462,COc1ccc2nc(SCC(=O)Nc3cc(C)on3)[nH]c2c1
+,,,0.0,,,,,,,,,,0.0,,0.0,,CID745113,CCOC(=O)c1ccc(N2C(=O)CC(C(=O)OC)=C2C)cc1
+,,,,,0.0,,,,,,,,,,,,CID2256469,CCC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1)CCC2
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID3238742,CCN1CCN(CCCNC(=O)C2CCCN(c3nnc(-n4cccc4)s3)C2)CC1
+,,,0.0,,,0.0,,,,,,,,,,0.0,CID2236605,N#Cc1cn(Cc2cccc(Cl)c2)c2ccccc12
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID627566,CN(C)C(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1
+0.0,0.0,,,,,,,,,0.0,,,,,,,CID657987,Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4
+0.0,,,,,,,,,,,,,,0.0,,,CID5741964,CCN(CC)C(=O)C1=C(C)N=C2N=NNN2C1c1cccnc1
+,,,,,,0.0,,0.0,,,,,0.0,,,,CID650948,CCOC(=O)Cn1c(C(=O)OCC)cc2sccc21
+,0.0,0.0,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,CID645271,COc1ccccc1-c1ccc(=O)n(CC(=O)NCc2ccc3c(c2)OCO3)n1
+,,,,,,,,0.0,,,0.0,,,,,,CID3220890,O=C(CN1CCC(NC(=O)c2ccco2)CC1)Nc1cccc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID1642479,Cc1ccc(NC(=O)CSCC#N)cc1Cl
+,0.0,,,,,,,,0.0,,,,0.0,,,0.0,CID2939525,CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1CCSC1=O
+0.0,,,0.0,,0.0,0.0,,,,0.0,,0.0,,,0.0,,CID1503465,CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID795234,COC(=O)c1ccc(/C=N/NC(=O)c2cccc(F)c2)cc1
+0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,,,,CID3236352,COc1ccc(-c2ccc(C(=S)N3CCN(C(C)=O)CC3)o2)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID3244119,O=C(O)CCC(=O)N1CCOc2ccc(Cl)cc21
+,,,,,,,,,,,0.0,,,,,,CID2994115,Cc1ccc(SCCCn2cnc3ccccc3c2=O)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID2829340,CC1=CCC2C(=O)N(c3ccc(C)cc3)C(=O)C2C1
+,,,,,,,,,,,,,0.0,,,,CID881552,CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccccc2)c1
+,,,,,,,,,,0.0,,,,,,,CID2894325,O=C(CSC1=NC(=O)C(c2ccccc2)C(=O)N1)Nc1ccccc1Cl
+,,,,,,,,,0.0,,,,,,,,CID1488868,O=C1/C(=C/c2ccccc2)CSc2sccc21
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID666955,O=C(CSc1nnc(C2CCCN2)o1)c1ccc(Cl)cc1
+,,0.0,,,,,0.0,,,,,,0.0,,,,CID650976,CCOC(=O)C1=C(C)NC2=C(C(=O)C(C(=O)OC)C(C)C2)C1c1ccc(OC)c(O)c1
+,,,,,,,,,,,,0.0,,,,,CID663898,O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)C1CCS(=O)(=O)C1
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID667149,CCOC(=O)C1=C(N)Oc2cc(C)[nH]c(=O)c2C1c1ccncc1
+,,,,,,,,,,,0.0,,,,,,CID346715,CCCNC(=O)c1ccc(Cl)c(Cl)c1
+,,,,,0.0,,,,,,,,,,,,CID8178372,O=C(/C=C/c1cccc(Cl)c1)c1nc2ccccc2[nH]1
+,,,,,,,,,,,,,0.0,,,,CID982706,C=CCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)nc2scc(-c3ccccc3)c2c1=O
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID4682093,COc1ccc(S(=O)(=O)Cc2ccc(C(=O)NC(C)C)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1082776,COc1ccc(-c2csc3ncn(-c4ccccc4)c(=O)c23)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID3092995,CCCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2ccccc21
+0.0,,0.0,,,,0.0,,,,,,,,,0.0,,CID5308823,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)N2CCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3193602,c1cnc2ccc(C(c3nnnn3C3CCCC3)N3CCN4CCCC4C3)cc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID661800,CNC(=O)Nc1cccc(NC(=O)NC)n1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID3244905,Cc1ccccc1CS(=O)(=O)CCC(=O)NCCCN1CCN(c2ccccc2F)CC1
+,,,,,0.0,,,0.0,0.0,,0.0,,0.0,,,,CID708852,COc1cc(OC)c(C#N)c(S(=O)(=O)Cc2ccccc2)c1
+0.0,,,0.0,0.0,,,,,0.0,,,,0.0,0.0,,,CID662536,COc1ccccc1-c1nc2s/c(=C\c3cccs3)c(=O)n2n1
+,,,,,,,,,,,,,,0.0,,,CID4099654,C/C(=N\NC(=O)c1cc(O)c(O)c(O)c1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,,,0.0,,CID5308792,CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1
+,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,0.0,0.0,CID649216,COC(=O)c1ccccc1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C
+,,,,,,,,,,0.0,,,,,,,CID678639,Cc1ccc(OCC(=O)Nc2ccc(F)cc2)cc1C
+,0.0,,0.0,,,,,,0.0,,,0.0,,,0.0,,CID2999002,Nc1cc(C(=O)OCC(=O)NCC2CCCO2)ccc1Cl
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID2930135,CCC(Sc1ncccn1)C(=O)Nc1cc(C)on1
+,,,,,,,,,0.0,,,,,0.0,,,CID2909103,O=C(c1ccc(F)cc1)N1CCCCC(Sc2nnnn2-c2ccccc2)C1=O
+0.0,,0.0,0.0,,,,0.0,0.0,,,,,,,,0.0,CID2966443,CCN1CCN(Cc2ccccc2NC(=O)Nc2ccc(C)cc2)CC1
+,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID1523536,Cc1sc(NC(=O)c2ccco2)c(CN2CCCCC2)c1C
+,,0.0,,,,0.0,0.0,,,,,,,,0.0,,CID3102997,COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21
+,,,,,0.0,,,,,,,,,,,,CID1252589,O=S(=O)(N/N=C/c1ccc2c(c1)OCCO2)c1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID3153926,COC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1
+0.0,0.0,0.0,,0.0,,,0.0,,,,,,,0.0,0.0,0.0,CID1096072,CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)n1
+0.0,0.0,0.0,,,,,,,0.0,,,,,,,0.0,CID1312671,Cc1ccccc1CN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O
+0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,CID651375,O=C(CSCC(=O)Nc1nccs1)Nc1ccccc1
+,,,,,,,,,,,,0.0,,,0.0,,CID5309116,CCCc1cc(C(=O)NCCc2ccc(OC)c(OC)c2)no1
+,,,,,,,0.0,,,,,,,,,,CID3236181,O=C(c1ccco1)N1CCN(C(=O)C2CCN(S(=O)(=O)c3cnc[nH]3)CC2)CC1
+,,,,,,,0.0,0.0,,,,,,,,,CID3242796,Cc1ccc2cc3cc(C(=O)NCCCN4CCc5ccccc5C4)oc3nc2c1
+,,,0.0,,,,,,,,0.0,,,,,,CID2029410,Cn1nc(-c2ccc(OCC(=O)Nc3cccnc3)cc2)c2ccccc2c1=O
+,,,0.0,,,,,,,,0.0,,,,,0.0,CID1310685,O=c1nc(CN2CCN(C/C=C/c3ccccc3)CC2)[nH]c2ccccc12
+0.0,,0.0,,,,,0.0,,,,,0.0,,0.0,,,CID1247681,CC(=O)c1ccc(N2CCN(C(=O)C3CCC3)CC2)cc1
+0.0,,,,,,,,,,,0.0,,,,0.0,0.0,CID692185,CCOC(=O)Nc1ccc(C)cc1Br
+,,,,,,,,,,0.0,,,,,,,CID4114038,Cc1cccc(NC(=S)N2CCC(N(C)CC3CCCO3)CC2)c1C
+0.0,,0.0,,0.0,,,,,0.0,,0.0,0.0,0.0,,0.0,,CID2219800,Cc1ccc(SCC(=O)N(Cc2nc(-c3ccccc3)no2)C(C)C)cc1
+,0.0,,0.0,,,,0.0,,0.0,,,,,,0.0,,CID1397543,Cc1nc(SCC(=O)Nc2ccnc3ccccc23)n[nH]1
+,,,,,0.0,0.0,,,,0.0,0.0,,,,,,CID650324,Cc1ccccc1NC(=O)Cn1c(C)nc2ccc(NC(=O)C3CC3)cc2c1=O
+,,,,,,,,,,,,,0.0,,,,CID3480392,C/C(=N\NC(=O)Cn1nc(C)c(Br)c1C)c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID1791929,C=CCN(CC=C)C(=S)NC(=O)c1ccc(-c2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID665839,COCCOC(=O)CC1=NC(=O)CS1
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+,0.0,,,,,,,,0.0,,0.0,,,,,,CID646587,CCC(C)(C)NC(=O)CN(C(=O)CCC(=O)Nc1cc(C)ccn1)c1ccc2c(c1)OCO2
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID3242638,COc1ccccc1-c1cc(C(=O)Nc2cc(C)on2)no1
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+,0.0,0.0,0.0,,,0.0,,,,0.0,,,,0.0,,,CID1089007,O=c1n(-c2ccccc2)c(=O)n(Cc2ccccn2)n1Cc1ccccn1
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+,,,,,,,,,,,,,,0.0,,,CID2082730,O=C(c1ccccn1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
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+,0.0,,,0.0,0.0,,,0.0,0.0,,,,,,,,CID663255,c1coc(Cn2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccs2)c1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID2969873,O=C(O)CCc1ccc(-c2cccs2)n1CC1CCCO1
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+,,,,,,,0.0,,,0.0,,,,,,,CID649107,COCCCNC(=O)CN1C(=O)c2ccccc2C1=O
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+,0.0,,,,,0.0,,0.0,,,,0.0,0.0,0.0,,,CID656367,COc1cccc(N(C(C)=O)c2nc(C)cc(C)c2C#N)c1
+0.0,,0.0,0.0,,,,,,,,0.0,,,,,,CID867936,Cc1cc(C)nc(-n2nc(C)cc2Nc2ccccc2)n1
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+,0.0,,,,,0.0,0.0,,,,,0.0,,,0.0,0.0,CID651712,COCC(=O)Nc1nnc(CCc2ccccc2)s1
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+,,,0.0,0.0,,0.0,,,,,,,,0.0,,,CID663777,COC(=O)C(CCSC)NC(=O)Nc1ccc(C)cc1
+,0.0,,,,,,,,0.0,,0.0,,,,,,CID650235,COCCNC(=O)C(c1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1cccnc1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5309183,O=C(NCCc1ccc(Cl)cc1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,,0.0,,,,,,,,,,CID3499281,Cc1cc2cc(CNS(=O)(=O)N(C)C)ccc2[nH]1
+0.0,,,,,,,,,,,,,,,0.0,,CID3245975,Cc1oc(-c2ccccc2F)nc1CN1CCC(C(=O)NC2CCCCCCC2)CC1
+0.0,0.0,,,0.0,,,,0.0,,,,,,,,,CID3521786,CCC(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl
+,0.0,0.0,,0.0,,,,0.0,,,,0.0,,,0.0,,CID2998880,c1ccc2c(c1)oc1c(NCc3ccc4c(c3)OCO4)ncnc12
+,,,,0.0,,0.0,0.0,0.0,,,,,,,,,CID3239666,CCC(C)(C(=O)NC1CCCCC1)N(CC1CCCO1)C(=O)c1ccccn1
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+,,,,,,,,,,0.0,,,,,0.0,,CID666710,COc1cccc(N2CCN(Cc3nc(N)nc(Nc4ccccc4)n3)CC2)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2999091,COc1cc(C2Nc3cc(Cl)c(S(N)(=O)=O)cc3S(=O)(=O)N2)cc(OC)c1OC
+,,,,,0.0,,,,,,,,,,,,CID695159,Cc1ccc(OCC(=O)Nc2cc(C)ccc2C)cc1
+0.0,,0.0,,0.0,0.0,,,,,0.0,0.0,,,,,0.0,CID2089062,Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(C2CC2)s1
+0.0,,,0.0,,,,,,,,0.0,,,,,,CID665296,Cc1oc(C)c2c(=O)ccc3c(c12)OC(N)=C(C#N)C3c1ccccc1
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+,,,,,0.0,,,,,,,,,,,,CID647235,CC1CCN(C(c2ccc(N(C)C)cc2)c2nnnn2Cc2ccc(F)cc2)CC1
+,,,,,0.0,,0.0,,,,,,,,,,CID647157,O=C(Nc1ccccc1)OC1C2CCC1C(N1CCCCC1)CC2
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID3244401,O=C(NCc1ccc(F)cc1)c1cc(-c2ccco2)on1
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+,,,0.0,,,,,,0.0,,,,0.0,,,,CID1596204,O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCO
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+,,,,,,,,,,,,,,0.0,,,CID2553947,CCOC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccccc2C)c1C
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+0.0,,0.0,,,,,,,0.0,,,,,0.0,0.0,0.0,CID651863,CCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1
+,,0.0,,,,,,,,,,,,,,,CID3245251,O=C(O)c1cc(S(=O)(=O)N2CCCCC2)ccc1F
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+0.0,,,,,,,0.0,,,,,,,0.0,,,CID5309591,CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1
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+,,,,,,,,,,,,,0.0,0.0,,,CID1539829,COc1ccc(C(=O)CSc2ccccc2C(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID4884842,CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(C)C(N)=O)n2CCc2ccccc2)c1
+,,,,,,,0.0,,,,,,,,,,CID4386,O=C(O)c1ccccc1Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2859103,O=C(CC(c1ccco1)C1CCCCC1=O)c1ccccc1
+0.0,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,0.0,0.0,CID2202357,CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cn2cnc3ccccc3c2=O)cc1
+0.0,,,,,0.0,0.0,,0.0,,,,,0.0,,0.0,,CID655323,CCCCOc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,,,,,,,0.0,,,,0.0,,,,0.0,,CID655498,CCOc1ccc2cc(C#N)c(SCC(=O)NC(C)CC)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID5115765,COc1ccc(NC(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1491222,CCOC(=O)c1c(-c2ccccc2Cl)cn2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID995895,COC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccc(C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1481828,O=C(c1cnn(-c2ccc(Cl)cc2)c1)c1ccccc1O
+,,,,,,,,0.0,,,,,,,,,CID1877116,O=C(CN1CCOCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
+,,,,,0.0,0.0,0.0,,,,,,,,,,CID650204,Cc1[nH]c(=O)[nH]c1CN1CCCCC1
+,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,CID663940,CCN(CC)CCN1C(=O)c2oc3ccccc3c(=O)c2C1c1ccccc1
+,0.0,0.0,0.0,,0.0,,0.0,,,,0.0,,,,,,CID760883,CCOc1ccc(Nc2cc(=O)n(C)c(=O)n2C)cc1
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+,,,,,,,,,,,,,,0.0,,,CID894894,COc1ccc(C(=O)NCC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1
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+,,,,0.0,0.0,,,,,0.0,,,,,,0.0,CID656201,O=C(O)CSc1nnc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)n1Cc1ccco1
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+,0.0,,0.0,,,,0.0,,0.0,,,,,,,,CID5308847,O=C(NC1CCCCC1)C1CCCN(S(=O)(=O)c2cnc[nH]2)C1
+,,,,,,,,0.0,,,,,,,0.0,,CID662282,Brc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)o1
+,,0.0,,,,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,CID978197,O=C(Oc1ccc2c(c1)CCC2)N1CCOCC1
+,,,,0.0,,0.0,,,0.0,,,0.0,0.0,,,,CID659784,CCOC(=O)c1sc(C)c2c1NC(C)(c1cccs1)NC2=O
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+,,0.0,,,,,,,0.0,,,,,0.0,,,CID644554,O=C(C1CCC1)N1CCC(c2nc3n(Cc4c(F)cccc4Cl)[nH]nc-3c(=O)n2)CC1
+,,,,,0.0,,,,,,,,,,,,CID855010,Cc1c(C)c2ccc(OCC(=O)C(C)(C)C)cc2oc1=O
+,,,,,,,,,,0.0,,,,0.0,,,CID1635730,COc1ccc(Nc2nc(N)nc(CSc3nnc(N)s3)n2)cc1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,0.0,,CID2535696,Cc1noc(C)c1C(=O)OCC(=O)NCCc1ccc(Cl)cc1
+,0.0,,0.0,,,,,0.0,,,,0.0,,,,,CID2622635,CC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12
+0.0,,,,,,0.0,,,,,,,,,,,CID3245080,COc1ccccc1-c1cc(C(=O)Nc2c(F)cc(F)cc2Br)no1
+,,,0.0,0.0,,,,,,,0.0,,,,,0.0,CID781543,O=C(O)c1ccccc1NS(=O)(=O)c1cccc2cccnc12
+,0.0,,,,,,,,,,,1.0,,,,,CID1245419,O=C(c1csc2c1CCCC2)n1cccn1
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+,,0.0,,,,,,,,,,0.0,,,,0.0,CID2998737,CCOC(=O)CCCNC(=O)CN1C(=O)NC(CCc2ccccc2)C1=O
+,,,,,,,0.0,,,0.0,,,,,,,CID5389547,CC(NCCC1=CCCCC1)=C1C(=O)NC(=O)NC1=O
+,,,0.0,,,,0.0,,,,,,,,,,CID272904,COC(=O)c1cn[nH]c1N
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID1039284,C=CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)OCC
+,,,,,0.0,,,,,,,,,,,,CID9550981,COC(=O)c1cc(=O)n(Cc2ccc3c(c2)OCO3)/c(=N/c2ccc(F)cc2)s1
+0.0,,,,0.0,,,0.0,0.0,,,,,0.0,,,,CID2223954,COc1cc(OC)cc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C(C)C)c1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,,,CID660260,Cc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2Cc1ccccc1
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+,,,,0.0,,,,0.0,,,,,,,,,CID2288023,Cc1ccc(C)c(S(=O)(=O)NCCOC(=O)Nc2sc(=S)n(C)c2C)c1
+,,,,,0.0,,,,,,,,,,,,CID3170568,Cc1ccc(C2=NCC(=O)N(CC(=O)N3CCCCC3)c3sc(C)c(C)c32)cc1
+,,0.0,,,,,,,,,,,,,,,CID2583786,CC(=O)c1cccc(NC(=O)CN2C(=O)NC3(CCCCCCC3)C2=O)c1
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+,,,,,,,,,,,0.0,,0.0,,,,CID2171190,COc1ccc(NC(=S)NCCSc2ccc(Cl)cc2)c(OC)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID2976019,Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCCCn3ccnc3)c2c1
+0.0,,,,,,,,,,,,,,,,,CID3567340,CCCC(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID1796825,CCOc1cc(C(=S)N2CCOCC2)ccc1OS(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID4877185,Cc1cc(C)c2nc(NC(=O)C3CCCO3)sc2c1
+,,,,,,,,,,,,,,0.0,,,CID3631676,CC(C)CC(=O)c1c[nH]c(C(=O)NCCc2ccccn2)c1
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID650451,C=CCNC(=O)CN1CCC(O)(c2ccccc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID1261950,CCN1CCN(C(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)CC1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID3244735,CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCc3ccc4c(c3)OCO4)cc2CC1C
+,,0.0,,,,0.0,,,,,,,,,,0.0,CID5308606,CCOC(=O)C1CCCN(C(=O)Cn2sc3nc(C)cc(C)c3c2=O)C1
+,,0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,CID787285,CCOC(=O)Cc1csc(NS(=O)(=O)Cc2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2542034,O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)Nc1ccc(F)cc1F
+,0.0,,,0.0,,,,,,,,0.0,,,,,CID646483,CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1
+,,,,,,,,,,,,,0.0,,,0.0,CID2203738,O=C(O)CCCC(=O)Nc1ccc(Br)cc1C(=O)O
+,0.0,,0.0,0.0,,,,0.0,,0.0,,,,,,0.0,CID2115650,Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,,CID795665,Cc1c(Nc2cc(=O)oc3ccccc23)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,0.0,,,0.0,,,,,,CID3127421,C/N=C1/SC(CC(=O)Nc2ccc(C(=O)O)cc2)C(=O)N1C
+,,,,,,,,,,,,,0.0,,,,CID757634,O=C(NC1CCCCC1)c1cc(-c2ccccn2)nc2ccccc12
+,,,,,0.0,,,,,,,,,,,,CID1326081,Cc1ccc(NC2=C(C(=O)c3ccccc3)N(C)S(=O)(=O)c3ccccc32)cc1
+,0.0,,,,,,,0.0,,,,0.0,0.0,,,,CID2864747,CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1ccccn1
+0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,,,CID2991858,CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CCc2ccccc2)CC1
+0.0,,,,,,,,,,,0.0,,,,,,CID2569391,Cc1cc(C(=O)CSc2nnc(-c3cccc(F)c3)n2N)c(C)n1Cc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,0.0,,,CID3220653,O=C(CN1C2CCCC1CC(NC(=O)c1ccco1)C2)Nc1ccccc1
+,,0.0,0.0,,,,,,,,,,,,,,CID3238038,CSc1ccc(C2C3(C#N)C(N)=NC4(OCCO4)C23C#N)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID1306168,O=C(Cn1cc(C(=S)N2CCOCC2)c2ccccc21)N1CCOCC1
+,,,,,,,,,,,0.0,,,,,,CID3231382,Cc1ccc(Nc2c3c(nc4ncnn24)CC(C)CC3)cc1
+,,,,,0.0,,,,,,,,,,,,CID241146,c1ccc(C2OCC3(CO2)COC(c2ccccc2)OC3)cc1
+,,,,,,,,,,,0.0,,,,,,CID650127,CCCCNC(=O)OCCNC(=O)NC
+,,,,,,,,,,,,,0.0,,,,CID760607,O=C(Cn1cnc2ccccc21)N/N=C/c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID2947787,O=C(CSCc1c(Cl)cccc1Cl)NCC1CCCO1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID5310865,COCCN(CCOC)Cc1c(O)ccc2c3c(c(=O)oc12)CCC3
+0.0,0.0,,,0.0,,,,,,,,,,,,0.0,CID659786,COC(=O)C(NC(=O)c1ccccc1)(Nc1nccs1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID868760,CCc1c(C)sc(NC(=O)c2ccccc2[N+](=O)[O-])c1C(N)=O
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID666248,CC(=O)c1cccc(N2/C(=N/C(=O)C(C)C)SC3CS(=O)(=O)CC32)c1
+,,0.0,,,,,0.0,,,,,,,,,,CID693071,CCOc1ccccc1NC(=O)CCC(=O)O
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID3236588,CN(C)C(=O)N1CCC(C(=O)NC2CCCCCCC2)CC1
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID657734,Cc1c(C)[n+](=O)c2c(n1[O-])CCC2
+,,,,,,,0.0,,,,,,,,,,CID662626,COc1ccc(OCC(O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID1033230,O=C(Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2)c1ccco1
+0.0,0.0,,0.0,,,0.0,,,,0.0,,,,,,,CID5309067,Cc1cc(NC(=O)c2noc3c2CCc2ccccc2-3)n(-c2ccccc2)n1
+,,0.0,,,0.0,,,0.0,,,,,,,,,CID112786,Cc1nc2cc(-c3ccccc3)ccc2o1
+,,,,,,,,,,,,,0.0,,,,CID891846,Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccs1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID2883812,CN1CCN(C(=O)c2ccccc2NC(=O)CCN2C(=O)c3ccccc3C2=O)CC1
+,,0.0,,,0.0,,,0.0,,,,,,,,,CID659317,CCOC(=O)c1c(N)n(Cc2ccc(OC)cc2)c2nc3ccccc3nc12
+0.0,,,,0.0,,,,,0.0,,,,,,,0.0,CID1244222,Cc1occc1C(=O)Nc1nnc(C(F)(F)F)s1
+,0.0,0.0,,,0.0,,,,,0.0,,,,,0.0,,CID648610,O=C(CSc1nnnn1C1CCCC1)Nc1ccc2c(c1)OCCO2
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID662290,CN1CCc2c(sc3c2c(=O)n(-c2ccc(Cl)cc2)c2nncn32)C1
+,,,,,,,,,,,,,0.0,,,,CID3412462,CC(=O)c1cccc(NC(=O)N2CCC(c3ccc(C)cc3)C2)c1
+,,,,,,,,,,,0.0,,0.0,,,0.0,CID657866,CC(=O)Nc1cc2c(cc1Br)OCCO2
+,0.0,0.0,,,,,,,,,,,,,,,CID655343,O=C(O)c1n[nH]c2c1CCCCC2
+,,,,,,,,,,,0.0,,,,,,CID644819,CCOC(=O)Cn1nnnc1CN(Cc1ccc(OC)cc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O
+,,,,,,0.0,,,,,,,,,,,CID697873,CN(C)S(=O)(=O)c1ccccc1C#N
+,,0.0,,,,,0.0,,,,,,,0.0,,,CID791064,O=C1CCCc2c1nn(-c1ccccc1)[n+]2[O-]
+,,,,,,,,,,,,,,0.0,,,CID2415595,Cc1cc(C)cc(-n2nc(C)cc2N)c1
+,,,,,,,,,,,,,,0.0,,,CID4896365,N#CC1=C2SCN(Cc3ccco3)CN2C(=O)CC1c1ccccc1F
+,,,,,,,,,,0.0,,,,,,,CID1130232,Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)N2CCOCC2)cc1
+,,,,0.0,,0.0,,0.0,,,,,,,,,CID2251704,COC(=O)c1ccc(S(=O)(=O)c2ccc(C(=O)OC)s2)s1
+,,0.0,,,,0.0,,,,,0.0,,0.0,0.0,,0.0,CID722911,O=c1nc(-c2ccncc2)[nH]c2ccccc12
+,,,,,,0.0,,,,,,,,,,0.0,CID651278,COc1cccc(N2CC(C(=O)OC(C)C(=O)c3ccccc3)CC2=O)c1
+0.0,0.0,,0.0,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID647275,O=C(Nc1nnc(-c2ccco2)s1)C1CCCCC1
+,,,0.0,,,,,,,,0.0,,,,,,CID2954797,CCNC(=O)N1CCNC(=O)C1CC(=O)OC
+,,,,,,,,,,,0.0,,,,,,CID2068115,Cc1ccc(C(=O)NNC2=NCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16187318,OCCC1CN(Cc2cccc3c2OCO3)CCN1Cc1ccccc1
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID648778,COc1cc(-c2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)cc(OC)c1OC
+,,,,,,,,,,,,,,0.0,,,CID2920117,O=C1CC(c2ccc(F)cc2)Sc2nc(C34CC5CC(CC(C5)C3)C4)nn21
+,,0.0,,,0.0,,0.0,,,,,,,,,,CID3000065,CC1(c2ccc3c(c2)OCO3)NC(=O)N(CC(=O)NCCC2=CCCCC2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID2594456,O=C(CNS(=O)(=O)c1ccccc1F)Nc1ccc(N2CCOCC2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3580044,CCc1ccc(N(CC(=O)O)S(=O)(=O)c2c(C)noc2C)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID658785,Cc1nn(CC(N)=O)c(=O)c2ccccc12
+,,,,,,,,,,,0.0,,,,,,CID577800,Nc1ccc(C(=O)N2CCCC2)cc1
+,0.0,,,,,,0.0,,0.0,,0.0,,,,,,CID3237090,CCS(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1
+,,,,,,,,,,,0.0,,,0.0,,,CID774167,COc1ccc(OCC(=O)NNC(=O)c2ccccn2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3319847,CN(C)S(=O)(=O)c1ccc(C(=O)NC2CCCc3ccccc32)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID3244384,COc1ccc(-n2c(=O)c3ccccc3n(CC(=O)NC3CCCCC3)c2=O)c(OC)c1
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+0.0,,,,,0.0,,0.0,,,,,,,,0.0,0.0,CID2998337,Cc1ccc(-n2nnnc2SCC(=O)c2cc(C)n(CC3CCCO3)c2C)cc1
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+,,,,,,0.0,0.0,,,,,,,,,,CID647213,O=C(CCCC(=O)OCC(=O)NC1CCCC1)Nc1ccccn1
+0.0,0.0,,,,,,0.0,,,,,,,0.0,0.0,,CID4112639,Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1
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+0.0,,,,0.0,,,,,,0.0,,0.0,0.0,,0.0,,CID656184,Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)o1
+0.0,,,,,,,,,,,,,,0.0,,,CID729510,O=C(COc1ccccc1Br)c1ccc(O)cc1O
+,,,,,,,,,,,0.0,,0.0,,,,CID1491130,O=C(O)COc1ccc(-c2nccc(-c3cccs3)n2)cc1
+,,,,,0.0,0.0,0.0,,,,0.0,,,,,,CID2113808,Cc1ccc(C)c(C(=O)CN2C(=O)CCC2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID4113351,COc1nn(C(C)C(=O)N/N=C/c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-]
+0.0,0.0,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,CID3240650,COc1cccc(C2=NOC(C(=O)N3CCN(Cc4ccccc4)CC3)C2)c1OC
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+,,,,,,,,,,,,,,0.0,,,CID5296215,COc1ccc(OC)c(C2CC(=O)Nc3c2c(=O)nc2nc[nH]n32)c1
+,,,,,0.0,,,0.0,,,,,,,,,CID1486531,NC(=O)COc1ncn(-c2ccccc2)n1
+,,,,,,,,,,,,,0.0,,,,CID1100725,O=C(/C=C/c1ccccc1)Oc1ccc(C(=S)N2CCOCC2)cc1
+,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,0.0,,CID245839,Cc1ccc(NCN2C(=O)c3ccccc3C2=O)c(C)c1
+,,,,,,,,,,,0.0,,,,,,CID977293,COC(=O)Cc1nnc(NC(=O)C(C)C)s1
+,0.0,,,,,,,,0.0,,,,,,,,CID666820,CCCC12CN3CC(CCC)(CN(C1)C3c1ccccn1)C2=O
+,,,,,,,,,0.0,,,,,,,,CID860179,Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccco1
+,,,,,,,,,,,,,0.0,0.0,,,CID2116206,O=C(c1cnn(C(=O)COc2ccc(Cl)cc2)c1)c1ccccc1O
+,,,,,,,,,,,,,0.0,,,,CID2243980,CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc([N+](=O)[O-])c1O
+,,0.0,0.0,,0.0,,0.0,,,,,,,,,,CID3242267,O=C1NC2(CCCCC2)N=C1c1ccc(F)cc1
+,,,,,,,,,,,,0.0,,,,,CID2200896,CC(C)CNS(=O)(=O)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1
+,,,,,,,,,,,,,,,,0.0,CID620616,O=C(c1ccc(C(F)(F)F)cc1)N1CCCCC1
+0.0,,,,,,,,,,0.0,,,,,,,CID661570,CC1(C)Cc2c(C#N)c(SCc3nc4ccccc4[nH]3)nc(N3CCOCC3)c2CO1
+,,,,,,,,,0.0,,,,,,,,CID3178645,CC(C)(C)NC(=O)CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1CCN(Cc2ccccc2)CC1
+,,,,,,0.0,,,,,,0.0,,,,,CID1286715,CCOC(=O)c1ccc(COC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)o1
+,,,,,,,,,,,,,,0.0,,,CID1975937,COc1ccc(Cl)cc1NC(=S)NCCSc1ccc(C)cc1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID2292177,CC(C)CNC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1
+,,,,,,,,0.0,,,0.0,,,,,,CID3238303,CCCCCn1c(=O)[nH]c2cc(C(=O)NCCCN(CC)CC)ccc2c1=O
+,,,,0.0,,,,,,0.0,,,,,,,CID1130083,NS(=O)(=O)c1ccc(CCNC(=O)Nc2ccc(Cl)cc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID747439,CCn1c(=O)[nH]c2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID726924,C(=N/N1CCN(Cc2ccccc2)CC1)\c1ccccc1
+,,,,0.0,0.0,0.0,0.0,,,,,,,,,,CID646472,CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,,,,0.0,,,,,,,,,,CID5740740,CCN1C(SCC(=O)Nc2ccccc2N2CCOCC2)=NN/C1=C1/C=CC=CC1=O
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID741447,CCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)c2ccccc12
+,,0.0,,,,,,,,,,0.0,,,,,CID663762,CCCCn1c(N)c(C(=O)OCC2CCCO2)c2nc3ccccc3nc21
+0.0,,,,,,,,,,0.0,,,,,,,CID4643175,O=C(CSc1nnc(C2COc3ccccc3O2)o1)N1CCCCC1
+0.0,,,,,,0.0,,,,,,,,,,,CID5307898,O=C1C2CCCN2C(c2cccc(F)c2)N1c1cccc(Cl)c1
+,,,,,,,,,,,,,,0.0,,,CID2401486,COCCn1c(C)cc(C(=O)COC(=O)c2ccccc2Br)c1C
+0.0,,,,,,,0.0,,,,,,,,,,CID3236527,CC(C)CC1N=C2c3ccccc3N=C(SCc3cc(=O)n4ccccc4n3)N2C1=O
+,0.0,,,,,,,,,,,,,,,,CID662807,CC(C)(C)OC(=O)NCCc1nnc(SCC(N)=O)o1
+,,,,,0.0,,,,,,,,,,,,CID973308,CCC(CC)C(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID833076,COc1ccc(C(=O)n2nc(C)cc2C)cc1Br
+,,0.0,,,,,0.0,,,,,0.0,,,0.0,0.0,CID3237708,CCCCCNC(=O)CCn1c(=O)oc2ccccc21
+0.0,,,,,,,0.0,,,,,,,,,0.0,CID3243111,CC1CCN(CCCNC(=O)C2CCC(=O)N2C2CCCC2)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID890093,CCCc1cc(=O)nc(SCC(=O)Nc2c(C)cccc2C)[nH]1
+,0.0,,,0.0,,,,,,0.0,,0.0,,,,,CID652942,CC(C)c1nnc(NC(=O)c2cccc(-n3cnnn3)c2)s1
+,,,,,,,,,,,,,0.0,,,,CID3960096,O=C1N=C(Nc2ccccc2)c2ccc([N+](=O)[O-])cc21
+,,,,,,,,,,,0.0,,,,,,CID1487228,O=C(Nc1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID751838,CCSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
+,,,,,,,,,,,,,,0.0,,,CID2764806,COc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID650103,CC(C)c1nnc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)s1
+,0.0,,,,,0.0,,,,,0.0,,,,,0.0,CID653656,Cn1c(SCC(=O)N2CCCC2)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID6405450,COc1ccccc1N1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2466236,COC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1
+,,,,,,,0.0,,,,,0.0,,0.0,0.0,,CID975169,Cc1cc(=O)oc2c(C)c(OCC(=O)N(C)C)ccc12
+,,,,,,,,0.0,,,0.0,,,,,,CID7150791,Cc1ccn2cc(CCNS(=O)(=O)c3ccc(F)c(C(F)(F)F)c3)nc2c1
+,,,,,,,,0.0,,,,,,,,,CID754128,COc1cc(OC)cc(C(=O)n2nc(C)cc2C)c1
+,,,0.0,,,,,0.0,,,,,,,,,CID2949860,Cc1cc(Cl)c(S(=O)(=O)N2CC(C)OC(C)C2)cc1OCC(N)=O
+,,0.0,,,,0.0,,,,,,,,,,,CID5063650,CC1CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)CC(C)O1
+,,,,,,,,,,,,,,,0.0,,CID604036,CC(=O)NC1(NC(C)=O)CCN(C)C(c2ccccc2)C1C
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID3238117,CC(C)CCn1cnc2c(cnn2-c2ccc(F)cc2)c1=O
+,,,,,0.0,,,,,,,,,,,,CID5731832,CC(C)COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OC(C)C)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID2975355,CS(=O)(=O)N(CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID2935569,CC(C)C(NC(=O)c1cccs1)C(=O)NC1=NCCS1
+0.0,,,,,,0.0,,,,,0.0,,,0.0,,0.0,CID664729,N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCn1ccnc1
+,,,,,,,,0.0,0.0,,0.0,,0.0,,,,CID738083,COc1ccc(-c2nc(CC(=O)O)cs2)cc1
+0.0,,,0.0,,0.0,,,,,,,,,,,,CID3237757,Cc1nn(CC(=O)O)c2ccccc12
+0.0,0.0,,,,,,,,,,,,,,,,CID3237687,Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n2ncnc2n1
+,,,,,,,,0.0,,,,,,0.0,,,CID1007337,O=C(Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1)c1ccccc1
+,0.0,0.0,,,,,0.0,,,,,,,,0.0,,CID3243382,O=C(Nc1ccccc1)N1CCCC2CCCCC21
+,,,,,,,,,,,,,0.0,,,,CID2142158,O=c1oc2ccccc2cc1-c1csc(Cc2nc(-c3ccc(Br)cc3)cs2)n1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID2998226,CC(C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID2227030,CS(=O)(=O)N(CC(=O)Nc1cccnc1)c1ccc2c(c1)OCO2
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID3240104,CCSc1nnc(NC(=O)CSc2nccn2-c2cccc(C)c2C)s1
+,,,,,,,,,,,,,,0.0,,,CID16189799,CN(Cc1cccnc1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2964238,O=C(Nc1ccc(Cl)cc1)c1cccnc1N1CCCCC1
+,0.0,0.0,,,,,0.0,0.0,,,,,,,,,CID661446,COC(=O)c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
+,,,,,,,,,,,,,,0.0,,,CID843624,Cn1cc([N+](=O)[O-])c(C(=O)NCc2cc3cc(Cl)ccc3[nH]2)n1
+,,,,,0.0,,,,,,,,,,,,CID2887620,Cc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1
+,,,,,,,,,,,,,0.0,,,,CID851217,Cc1cccc(OCCn2c(=O)oc3ccc(C)cc32)c1
+,,,,,,,,,0.0,,,0.0,,,,,CID3241575,CCOC(=O)N1CCN(C(=O)c2ccc(CS(=O)(=O)c3ccccc3OC)o2)CC1
+,0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,CID1566703,N#C/C(=C\Nc1ccc2c(c1)OCCO2)c1nc2ccccc2[nH]1
+,,,,,0.0,,,,,,,,,,,,CID2266131,Cc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)cc2)c1
+,,,,,,,,0.0,,,,,,,,,CID889459,CCOc1ccccc1Oc1coc2cc(OC)ccc2c1=O
+,,0.0,,,,,,,,,,,,,,,CID3237862,Cc1nc2ncnn2c(C)c1CCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2585261,O=C(CCC(=O)OCC(=O)c1ccc(Br)cc1)NC1CCCCC1
+,,,0.0,,,,,0.0,,,0.0,0.0,,,,,CID955961,CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCCCC1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID5308494,Cc1cc(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)n(-c2ccccc2)n1
+,,,,,,,,,,,0.0,,,,,,CID3243211,CCOC(=O)N1CCC(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1042531,O=C(c1ccc(Br)o1)N(Cc1ccccc1)Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2564272,O=C(O)C1(c2ccccc2)CCN(S(=O)(=O)c2cccs2)CC1
+,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID2998047,CC(=O)Nc1ccc(SCC(=O)OCC(=O)NC(=O)NCc2ccco2)cc1
+,,,,,,,,0.0,,,,,,,,,CID3741560,C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1
+0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,,,CID2841126,Cc1ccc(C(=O)CSC2=C(C#N)C(c3ccco3)CC(=O)N2)c(C)c1
+0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,CID653200,COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1CC1CCCO1
+,,,0.0,,,0.0,,,,,,,,,,,CID5711574,CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)N2NN=NC2=N1
+,,,,,,,,,,,,,0.0,,,,CID9551316,Cc1nc2ncnn2c(C)c1CCC(=O)NCCc1ccccc1
+,,,,,,,,,,,,0.0,,,,,CID2911778,CC(C)C(CO)NC(=O)CC(=O)NC(CO)C(C)C
+,,,,,,,,,,,0.0,,,,,,CID2834685,CC1CCCC(C(=O)O)N1C(=O)CCSSCCC(=O)N1C(C)CCCC1C(=O)O
+,,,,0.0,,0.0,,,,,0.0,,,,,0.0,CID3241440,CCC1Oc2ccc(C)cc2N(CC(=O)NCCN2CCCCCC2)C1=O
+,,,,,,,,,,,,,0.0,,,,CID893637,O=C(O)CNS(=O)(=O)c1ccc(-c2ccccc2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2945968,O=C(NC1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID5308924,CCc1ccccc1S(=O)(=O)Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)o1
+,,,,0.0,,,,,,,,,,,0.0,,CID3241145,COC(=O)CN1C(=O)C(C)=C(c2ccc(C)cc2)S1(=O)=O
+,,,,0.0,,,,,,,,,,,,,CID3239224,CC(NC(=O)c1ccc2c(c1)OCO2)C(c1cccs1)N1CCOCC1
+,,,,,0.0,,,,,,,,,,,,CID4167744,O=C(CSc1nc2c(sc3ccccc32)c(=O)n1Cc1ccccc1)NCC1CCCO1
+,0.0,,,0.0,,,,,,,,,,,0.0,,CID3239528,COCCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C
+0.0,,,,,,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,CID2084695,Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1C
+,,,,,,,,0.0,,,,,,0.0,,,CID1235813,Cc1ccc(-c2csc(NC(=O)CSc3nc(C)cs3)n2)cc1
+,,,,,,,,,,,,,,,0.0,,CID1301485,O=C(Nc1ccc(Cl)cc1C(=O)O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O
+0.0,,0.0,,0.0,,0.0,,,,,,,,,,,CID667339,Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1
+,,,,,,,,,,,,,,0.0,,,CID888323,CCOc1cc(C(=O)Nc2ncn[nH]2)cc(OCC)c1OCC
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID2933604,O=C(O)C1CCCCC1C(=O)NCc1ccc(F)cc1
+,0.0,,,,,,0.0,,,,,,,,,,CID3236017,CCOC(=O)c1c(C)c(C(=O)NCCN2CCOCC2)c(C)n1CC
+,,,,,0.0,,,,,,,,,,0.0,,CID5389982,COc1ccc(CCN2C(=O)C3=C(/C(=C4\C=CC=CC4=O)NN3)C2c2ccccc2)cc1OC
+,,,,,,,,,,0.0,0.0,,,,,,CID2930188,Cc1ccc(NC(=O)NC2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2874961,COc1ccc(N(CC(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)S(=O)(=O)c2ccccc2)cc1
+0.0,,,,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,CID662709,Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccco1
+,,0.0,,,,,,,0.0,,,,,,,,CID5389801,NC1CCCCC1N/C=C1\C(=O)NC(=O)N(CCc2ccc(F)cc2)C1=O
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID3239371,CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)NCC3COc4ccccc4O3)c(C)c2c1
+,,,,,,,,,,,0.0,0.0,,,,,CID5310257,CC(=O)Nc1nc2cc3c(cc2s1)OCO3
+,,,,,,,,,0.0,,,,,,,,CID1835932,COc1cccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)c1
+,,,,,,,,,,,0.0,,,,,,CID760639,Cc1cc(C)c2nc3s/c(=C\c4ccccc4)c(=O)n3c2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID791685,C/C(=N\NC(=O)c1cccc(N2CCCC2=O)c1)c1ccncc1
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+,0.0,,,0.0,,,,,,0.0,,,,0.0,,,CID644656,CN(C(=O)c1cccc(C#N)c1)c1nnc(-c2cnccn2)s1
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+,,0.0,0.0,0.0,,0.0,,0.0,,,,,0.0,,,,CID1263073,COc1cccc2cc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c(=O)oc12
+,,,,,,,,,,,,,,,0.0,,CID2113258,CNCCCc1[nH]nc(N)c1C#N
+0.0,,,,,,,,,0.0,,,0.0,,,0.0,,CID2981624,COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)NC1c1cc(C)ccc1C
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+,,,,,,,,,,,0.0,,,,,,CID6238133,COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCn3ccnc3)C2=O)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID824092,O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccncc1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID1640925,CCCCOC(=O)Nc1cccc(C(C)=O)c1
+,,,,,,0.0,,,,,,,,,,,CID666445,c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)nc1
+,,,,,,,,,,,,0.0,,,,,CID647801,CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NC(CC(C)C)C(N)=O
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+,,,,,,,,,,,,,,0.0,,,CID855977,O=C(Cn1nnc(-c2ccccc2)n1)NNC(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1258523,CCOC(=O)c1cnc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)nc1N
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+,,,,,,,,,,,,,,,,0.0,CID3000054,CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cn2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2100862,FC(F)(F)c1ccccc1NC1=NCCC1
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+,,,,,,,,,,,,,,0.0,,,CID5404668,COC1=CC=C/C(=C\NNC(=O)c2ccc(-c3ccccc3)cc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID2477283,CN(CC(=O)Nc1cccc(F)c1)C(=O)CCCc1cccs1
+,,,,,,,,,,,,,,0.0,,,CID2532639,O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccco1
+,0.0,,,,,,,,,0.0,,,,,,,CID5771349,C=CCOC(=O)C1=C(C)N=C2N=NNN2C1c1cc(OC)ccc1OC
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+,0.0,,0.0,0.0,,,,0.0,,,,,0.0,,,,CID851621,Cc1nnc(SCC(=O)N2CCN(Cc3ccccc3)CC2)s1
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+,,,,,,,,,0.0,0.0,,,,0.0,,,CID1169101,COc1ccc(NC(=O)CSc2nnc(Cn3cnc4ccccc43)n2C)cc1
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID3238945,CCN(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
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+,,,,,0.0,,,,,,,,,,0.0,0.0,CID3149665,Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1S(=O)(=O)NCC1CCCO1
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+,,0.0,,,0.0,,,,0.0,,,,,,,0.0,CID644699,O=C(O)CCCC(=O)N1CC(=O)Nc2ccccc21
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+,0.0,0.0,,,,,,,,0.0,,,0.0,,,,CID2237122,CC(=O)c1cccc(NC(=O)c2cc3nc(C)cc(C)n3n2)c1
+,,,,,,,,,,,0.0,,,,,,CID774115,O=C(NNC(=O)c1cccc2ccccc12)c1ccco1
+,,,,0.0,,,0.0,,,,,,,0.0,,0.0,CID2183797,Cc1noc(NS(=O)(=O)c2ccc(N/C=C/C(=O)c3ccc4c(c3)OCO4)cc2)c1C
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+,,,,,0.0,,,0.0,,,,,,0.0,,,CID998377,CCOC(=O)c1ccccc1NC(=O)CN(c1ccccc1C)S(C)(=O)=O
+,,,,,,,,,,,,0.0,,,0.0,,CID80818,CCCCn1c(O)cc(=O)c2ccccc21
+,,,,,,,,,,,,0.0,,,,,CID5310853,CCOC(=O)C1=C(C)NC(=O)NC1/C(C)=C/c1ccccc1
+,,0.0,,0.0,,,,,0.0,,,,,,,,CID3146434,CCSC1=NC(=O)/C(=C2/C=Cc3ccccc3N2CC)S1
+,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,0.0,,CID659817,CC(=O)Nc1ccc(S(=O)(=O)n2nc(C)cc2C)cc1
+0.0,,,,0.0,0.0,0.0,0.0,,,,,0.0,,,0.0,,CID659922,CC(C)CC(=O)Nc1cccc(-c2nc3ccccc3o2)c1
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+,,,0.0,,,,0.0,,,,,,,,,,CID5423449,CC1=N/C(=C2/C=CC=CC2=O)N(S(=O)(=O)N(C)C)N1
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+,,,,,,,,,,,,,0.0,,,,CID903758,O=C(NCc1cccs1)c1cccnc1Cl
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID1246153,O=C(Nn1cnnc1)c1csc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID1750267,CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F
+,,0.0,,0.0,,,,0.0,,,,0.0,,,,,CID664354,CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1OC
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+,,,,,,,,,,,,,0.0,,,,CID764040,COc1ccc(/C=C/C(=O)NCc2cccnc2)cc1
+,,,,0.0,0.0,,0.0,,,,,,,,,0.0,CID3240699,CC(NC(=O)c1noc2c1CCCC2)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1380009,CCOC(=O)/C(=N\Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1
+,,,0.0,,,,0.0,,,,,,,,0.0,,CID645574,Cc1cc(C)nc(N2CCCC(C(=O)NCc3cccs3)C2)n1
+,,,,,0.0,,,,,,,,,,,,CID979283,O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID2943203,CSC1CCCCC1(O)CSc1nc2c(cc1C#N)CCCC2
+,,,,,,,,0.0,,,0.0,,,,,,CID2542908,CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(CC)c1C
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+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2791797,CCOC(=O)c1sc2ncn(C(CC)C(=O)OC)c(=O)c2c1C
+,,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,0.0,,0.0,CID1249408,Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)NCc3ccco3)nc2s1
+0.0,0.0,,0.0,,,,,,,0.0,,,,,,,CID971620,Nc1nc(-c2cccnc2)nn1C(=O)Cc1ccccc1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,,,CID5309594,O=C(NCc1ccccc1)c1cc(-c2cccc(O)c2)on1
+,,,,,,,,0.0,,,,,,,,,CID2902549,Cn1ncc(Br)c1C(=O)Nc1ccc(F)cc1F
+,0.0,0.0,,,,,0.0,0.0,0.0,0.0,,,,,0.0,,CID655900,COC(=O)CSc1nnc(CCc2nc3ccccc3[nH]2)n1C
+,,,,,,,,,,,0.0,,,,,,CID911226,Cc1nc([N+](=O)[O-])c(Br)n1CC(=O)c1ccccc1
+,0.0,,,,,,,,,,,,,,,,CID5771490,COc1ccccc1NC(=O)C1=C(C)N=C2N=CNN2C1c1ccccc1C
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID657606,CCCCCCNC=C1C(=O)CC(C)(C)CC1=O
+,,,,,,,,,,,,,0.0,,,,CID1086559,N#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID655333,CC(NC(=O)C(NC(=O)C1CCCN1C(=O)OC(C)(C)C)C(C)C)C(N)=O
+,,0.0,,,,0.0,,,,,,,,,,,CID974754,COc1cccc2cc(C(=O)n3ccc(C)n3)c(=O)oc12
+,,,,,,0.0,,,,,,,,,0.0,,CID2273760,COCCCNC(=O)CN(c1cc(OC)ccc1OC)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID39686,CCN(CC)c1c([N+](=O)[O-])c(=O)oc2ccccc12
+,,,,,,,,,,0.0,,,,,,0.0,CID662243,O=C1CC(N(O)C2CC(=O)N(Cc3ccccc3)C2=O)C(=O)N1Cc1ccccc1
+,,,,0.0,,0.0,,,,0.0,,,,,,,CID2272037,COCCNC(=O)CSc1ccc(C)cc1
+,,,,,0.0,,,,,,0.0,,0.0,,,,CID691896,COc1cc(-c2nc3ccccn3c2/N=C/c2ccccc2)ccc1O
+,,,,,,,,,0.0,,,,,0.0,,,CID4833562,CCC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC2)cc1
+,0.0,,,,,,,,,,0.0,,,,,,CID3245412,Cc1c(C(C)O)nnn1-c1nonc1N
+,,,,,,,,,0.0,0.0,,,,,0.0,0.0,CID3156632,O=C1CCCc2c1cc(C(=O)NC1CCSC1=O)c(=O)n2-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID2929993,CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID2883357,COc1ccc(C(=O)Nc2ccccc2C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1
+0.0,0.0,,,,,,0.0,0.0,,0.0,0.0,,,,,0.0,CID652375,COc1ccccc1NC(=O)N1CCCC1C(=O)NC1CCCCC1
+,,,,,0.0,,,,,,,,,,,,CID1118151,COc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1
+,,,,,0.0,,,,,,,,,,,,CID3122140,O=C1c2cc(S(=O)(=O)Nc3ccncc3)ccc2-c2ccc(S(=O)(=O)Nc3ccncc3)cc21
+,,,,,,,,,,,,,0.0,,,,CID1485120,COC(=O)c1cc(C(=O)c2ccc(C(C)(C)C)cc2)c[nH]1
+,,,,,,,,,,,,,,0.0,,,CID1472482,O=c1cc(N2CCCCC2)c(-c2ccccc2)nn1Cc1cccc(Cl)c1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID2876039,CCC(Sc1ccccc1C(=O)O)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID1452900,O=C(Nc1ccc(NC(=O)C2CC2)nc1)c1cnccn1
+0.0,,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID661404,COC(=O)c1ccc(-n2nnnc2SCc2ccccc2OC)cc1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID2055944,Cc1ccc(C(=O)c2cncc(Br)c2)cc1
+,,,,,,,,,0.0,,,,,,,,CID644405,COc1cc2cc(C(c3nnnn3C3CCCCC3)N(C)C3CCCCC3)c(=O)[nH]c2cc1OC
+,0.0,0.0,,,,,,0.0,,,,,,,0.0,,CID2787417,COC(=O)c1c(NC(=O)c2ccco2)sc2c1C(C(=O)OC)CC2
+0.0,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID3237445,Cc1ccc(-n2ncc3c(=O)n(CC(=O)NC4CCCCC4)cnc32)cc1
+,,,0.0,0.0,,,,,,,0.0,,,,,,CID650496,Cc1oc(C)c(C(N)=O)c1C(N)=O
+,,0.0,,0.0,,,,,0.0,0.0,,,,,,,CID2941432,O=S1(=O)CC(NCc2ccccc2)C(Nc2ccccc2)C1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,0.0,CID992061,CCc1nnc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)s1
+,,,,,0.0,0.0,,,,,,,,,,0.0,CID698314,CC1=CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc21
+,,,,,,0.0,,0.0,,0.0,,,,,,,CID690082,COC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID888550,Cc1ccc(NCCC(=O)c2ccccc2)cc1Cl
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID667276,CCN(CCO)C1CC(=O)N(c2ccccc2C)C1=O
+,,,,0.0,,0.0,,0.0,,,,,,,0.0,,CID4576987,COCCN(C(=O)Nc1ccccc1)C(C)c1cccnc1
+,,,0.0,,,,,,,0.0,,,,,,,CID647868,CCOC(=O)CN(C(=O)CSc1nnc(-c2ccncc2)n1CCCN(C)C)c1ccccc1
+0.0,0.0,0.0,0.0,0.0,,,,0.0,0.0,0.0,,,,0.0,,,CID2507780,O=C(CSc1nncs1)NC(=O)NCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1261721,CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3ccccc3n2)s1
+,,,,,0.0,,,,,,0.0,,,,,,CID1863506,COc1ccc(NC(=O)c2ccccc2NC(=O)NC2CCCCC2)cc1
+,,,0.0,0.0,0.0,,,,,,,,,,0.0,,CID652628,CCOC(=O)Nc1ccc2c(c1)Nc1ccccc1S2
+,,,,,,,,,,,,,0.0,,,,CID16188973,CC(=O)N1CCCN(Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1
+,,,,,,,,,,0.0,,,,,,,CID2053096,O=C(CS(=O)(=O)c1c[nH]c2ccccc12)N1CCCc2ccccc21
+,,,,,,,,,,0.0,0.0,,,,,,CID1251345,COc1ccc(Nc2nc3ccccc3n3nnnc23)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID665304,C=CCn1c(SCc2ccc(C#N)cc2)nnc1-c1cccc(Cl)c1
+,,,0.0,,,,,,,,,,,,,,CID3245400,CC(=O)Nc1ccc(S(=O)(=O)NCc2cn3c(C)csc3n2)cc1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID2998054,Cc1cc(=O)cc(C)n1-c1ccc2c(c1)nc(C)n2-c1ccccc1
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID2350207,CN1CCN(C(=O)COc2ccc(-c3nc4ccccc4s3)cc2)CC1
+0.0,0.0,0.0,0.0,0.0,,,,,,0.0,,,,,,0.0,CID2155838,O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1
+,0.0,,,,0.0,,0.0,,,,,0.0,,,,,CID5307105,CN1CCN(CCNC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)CC1
+,,0.0,,0.0,,0.0,,,,,,0.0,,,,,CID665874,COC(=O)C1=C(N)Oc2cc(C)n(CCCn3ccnc3)c(=O)c2C1c1ccccc1Cl
+,,,,,,,,,,,0.0,,,,,,CID5914494,COc1ccc(C2=C(Sc3ccc(Br)cc3)c3ccc(OC)cc3S2=O)cc1
+,,0.0,0.0,,0.0,,,,,,,,,0.0,,,CID5389487,CC1CCC/C(=C\Nc2ccccc2C(=O)O)C1=O
+,,,0.0,,,,,,,,0.0,,,,0.0,,CID660909,CCOc1cc(C2C(C#N)=C(N)OC3CCCC(=O)C32)ccc1OCCN1CCOCC1
+,,,,,,,,,,0.0,,,0.0,,,,CID1073941,CC(C)Cc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O
+,,,,,,,,,,,0.0,,,,,,CID201328,O=C(CN1CCOCC1)Nc1ccccc1
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID664312,CCN(CC)CCn1c2ccccc2c2nc(C)sc21
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID3238969,O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cncc(Br)c1
+,,,,,,,,,,,0.0,,,,,,CID920341,Cc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1
+,,,,0.0,,,,,,,,,,,,,CID656280,CCOC(=O)c1cnc2ccccc2c1NCCO
+,0.0,,,,,,,,,0.0,,,,,,,CID2886215,COc1cccc(NC(=O)C2CC(=O)N=C(N)S2)c1
+,,0.0,,0.0,,,,,,,0.0,0.0,,,,,CID1014082,COc1cc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)nc(OC)n1
+,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,,CID650878,CC(OC(=O)c1cccs1)C(=O)NCc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4263247,COc1ccc(CC(=O)Nc2nc(-c3cc(OC)ccc3OC)cs2)cc1
+0.0,,0.0,,,0.0,,0.0,,,,0.0,,,,,,CID2155032,c1ccc(COc2ccc(Nc3ncnc4nc[nH]c34)cc2)cc1
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+,0.0,,0.0,0.0,,,,,,0.0,,,0.0,,,0.0,CID2214667,CCCCOc1ccc(Cl)cc1CSc1nncn1N
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+,,0.0,0.0,,,0.0,0.0,,,,,,,,,0.0,CID2999173,COC(=O)c1ccc(COC(=O)C23CC4CC(CC(O)(C4)C2)C3)o1
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID664299,CC(C)c1[nH]nc2c1C(c1cccnc1)C(C#N)=C(N)O2
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+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID660362,CSc1ccccc1NC(=O)c1c(Br)cnn1C
+,0.0,,,,,,,,,,,,,,,,CID3238306,Cc1ccnc(NC(=O)CCc2c(C)nc3ncnn3c2C)c1
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+,,,,,,,,,,,,,,0.0,,,CID9547773,COc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(N(C)C)cc4)ccc3[nH]2)c1
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+,,,,,,,,,,,,,,0.0,,,CID1175635,COc1ccc(CCNC(=O)CSc2nnnn2-c2ccc(OC)c(OC)c2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID1263503,CC1(C)CC(=O)C(C(=S)Nc2ccc(F)cc2)=C(NCCN2CCOCC2)C1
+,,,,,,,,,,,,,0.0,,,,CID5186074,FC(F)(F)c1cccc(CNc2ncccc2-c2nc3cc(Cl)ccc3o2)c1
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+0.0,,,,,0.0,,0.0,,,,0.0,,,,,0.0,CID3237615,COc1cccc(CNC(=O)c2cc3oc4ccccc4c3n2C)c1OC
+,0.0,0.0,0.0,,,,,,,,,,,,,,CID3245933,Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2c(C)noc2C)C1
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+0.0,,0.0,,0.0,,0.0,,,,,,,0.0,,,0.0,CID650881,Cc1ccc2nc(NC(=O)c3ccc(Cn4cc(Cl)cn4)o3)sc2c1
+,0.0,,,,,,,,,,,,,,,0.0,CID2833681,CCSC1=C(C#N)C2(CCCCC2)C(C#N)C(=O)N1
+,,0.0,,,,,,,0.0,,0.0,,,,,,CID655791,Cn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)N1CCc2ccccc21
+0.0,,,,0.0,,,,,,,,0.0,,,,0.0,CID832830,CCOC(=O)Cn1c(=O)c(-c2ccccc2N)nc2ccccc21
+,,,,,,0.0,,,,,,,,,,,CID3458260,NC(=O)C1CCN(C(=O)c2ccc(CS(=O)(=O)c3c(Cl)cccc3Cl)o2)CC1
+,,,,,,,,,,,,,,0.0,,,CID16193523,O=C(CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCOCC1)NCC1CCCO1
+,,,,0.0,,,,,,,,0.0,,,,,CID764722,O=c1cc(CO)oc(CN2CCCC2)c1O
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID735496,CSc1nc2sc3c(c2c(=O)n1C)CCCC3
+,,,0.0,,,,,,,,,,,,,,CID663235,CCCCn1c(NCCN(C)C)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,0.0,,,0.0,,CID101991,CCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC
+,,,,,,,,,,,,,,0.0,,,CID741793,O=c1sc(Nc2ccccc2)nc2ccccc12
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+0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,CID663395,O=S(=O)(c1cccc(-c2cn3cc(Cl)ccc3n2)c1)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID2246186,CCN(CC)CCOCCOc1cc(C)c(Cl)c(C)c1
+0.0,,0.0,,,0.0,0.0,,,,,,,,,0.0,,CID648602,Cc1ccc2nc(N3CCN(C(=O)c4cccs4)CC3)c(C#N)cc2c1
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+,,,,,,,0.0,,,,,,,0.0,,,CID663621,CCCN1C(=O)C2(C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN2CCOCC2)c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID835242,CCC1(CCCC(=O)c2ccc(F)cc2)C(=O)NC(=S)NC1=O
+,,,,,0.0,0.0,,,,,,,0.0,,,,CID664794,COC(=O)C(CCSC)NC(=O)Nc1ccc(OC)cc1
+,,,,,,,,,0.0,0.0,,,,,0.0,,CID1151570,COc1ccccc1C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID900681,Cc1ccc(C)n1NC(=O)c1ccccc1O
+0.0,,,,0.0,,0.0,,,,,,,0.0,,,,CID666855,COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(-c4ccccc4)nc3oc2c1
+,,,,,,,,,,,,,0.0,0.0,,,CID890643,Cc1nnc(SCC(=O)NCCc2ccccc2)s1
+,,,0.0,,,,,,,,0.0,,,,,,CID886708,c1ccc(OCc2nc(-c3ccccc3)no2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1434177,Cc1cc2nnc(SCC(=O)N3CCCCCC3)n2c(N)n1
+0.0,,,0.0,,,0.0,,,,,,,,,,0.0,CID2947974,COc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)cc1
+,,,,,,,,,0.0,,,,0.0,0.0,,,CID983916,C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCC3
+0.0,,,0.0,,,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,CID654306,CCCn1c(O)c(C(=O)Nc2ccc(OC)cc2)c(=O)c2c1CCCC2
+,0.0,,,0.0,,,,,,,,0.0,,0.0,,,CID2537709,c1ccc(-n2nnnc2Sc2n[nH]c(-c3ccncc3)n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID776247,CCCn1c(N2CCN(C)CC2)nc2c1c(=O)[nH]c(=O)n2C
+,,,,,,,,,,,,,0.0,,,,CID1137207,COc1ccc(N(CC(=O)NCc2ccco2)S(C)(=O)=O)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID9550520,CCOc1ccc(-c2cc(N)n(S(=O)(=O)c3ccc(OC)c(OC)c3)n2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2388559,O=C(COC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)Nc1nc(-c2ccccc2Cl)cs1
+,,,,,,0.0,0.0,0.0,,,,0.0,,,0.0,0.0,CID647310,CCOC(=O)CSc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+0.0,,0.0,,,,,,,,,,0.0,,,,,CID5309730,Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(F)cc1
+,0.0,,0.0,,,0.0,0.0,,,,0.0,0.0,,,,,CID2123585,c1cc(CNC2=NCCCCC2)ccn1
+0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,,0.0,CID2541716,Cc1nc(C)c(C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)s1
+,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID684183,Cc1nc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)cs1
+,,0.0,,,,,,,,,,,,,,,CID5742449,CC1=C(N=O)C(c2ccccc2)N2NC=NC2=N1
+,,,,,,,,0.0,,0.0,,,,,,,CID2960053,CCSc1nnc(NC(=O)c2csc3c2CCC(C)C3)s1
+0.0,0.0,,0.0,0.0,,0.0,,0.0,,0.0,,,,,,0.0,CID829482,Cc1sc2nc(SCC(=O)NCc3ccco3)[nH]c(=O)c2c1C
+,0.0,,,,,,,,0.0,,0.0,,,,0.0,0.0,CID665393,Cc1cc(C)n(-c2nc3sc4c(c3c3nnc(SCC(N)=O)n23)CC(C)(C)OC4)n1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,,,CID3242619,CCn1c(SCC(=O)Nc2cc(C)on2)nc2c(c1=O)SC(C)C2
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID1955761,O=C(O)c1cccc(Cn2c(Cl)c(/C=N/NC(=O)c3ccccc3)sc2=O)c1
+0.0,,,,,,,0.0,,,,0.0,,,,,,CID663230,CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1
+,,,0.0,,,0.0,,,,,,,,,,,CID2977643,CCOC(=O)CN1C(=O)C(O)(C2CCc3ccccc3C2=O)c2ccccc21
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID1293658,O=C(Nc1ccccc1)c1ccc(NCc2cccnc2)c(S(=O)(=O)N2CCOCC2)c1
+,,,,0.0,,,,,,,,,,,,,CID975595,CC(C)(C)c1ccc(SCC(N)=O)cc1
+,,,,0.0,,,,,,,,,,,,0.0,CID3241087,Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccc(S(=O)(=O)N3CCOCC3)cc12
+,,,,,,,,,,,,,0.0,,,,CID16193230,CN1CCN(C(=S)c2cn(Cc3ccc(Br)cc3)c3ccccc23)CC1
+,,0.0,,,,,0.0,,,,,,,,,,CID3238220,CCOC(=O)C1CCCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)C1
+,,,,,,,0.0,,,,,,,,,,CID6324558,COc1ccc(N(CC(=O)N2CCc3ccccc3C2)S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID1765165,CCCCOc1ccc(/C=N/NC(=O)c2csc(C)c2C)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,0.0,,,0.0,CID2357945,O=C1N=c2ccccc2=C1Nc1ccc(-c2nnc3n2CCCCC3)cc1
+,,,,,0.0,0.0,,,,,,,,,,,CID644673,Cc1nnc(C)c2c(C)n(C(C)c3ccccc3)c(C)c12
+,,,,,,,,,,,,,0.0,,,,CID1475161,Nc1nc(Cl)c(C=O)c(N2CCCCC2)n1
+,,0.0,,,,,0.0,,,,,,,,,,CID661214,COc1ccc(-n2ncc3c(Nc4cccc(C)c4)ncnc32)cc1
+,,,,,,,,,,,,0.0,,,,,CID645101,COc1ccc2cc(C(c3nnnn3CC3CCCO3)N3CCOCC3)c(=O)[nH]c2c1
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+,,,,,0.0,,,,,,,,,,,,CID935190,O=C(O)c1cccc(NCc2ccncc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID2339607,CCCn1c(SCc2csc(-c3ccccc3)n2)nc2ccccc2c1=O
+,,,,,0.0,,,,,,,,,,,,CID704466,COc1ccc(OC)c(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1
+,,,0.0,,,,0.0,,,,,,,,,0.0,CID2334487,CSc1ncccc1C(=O)OCC(=O)N1CCOCC1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID664383,CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1OC
+,,,,,,,0.0,,,,,,,,,,CID4122071,CC(C)(C)c1ccc(S(=O)(=O)N2CCN(CCC#N)CC2)cc1
+,,,,,,,,,,,,0.0,,,,,CID1247966,Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21
+,,,,,,,,,,,,,0.0,,,,CID4364191,NC(=O)COC(=O)CC1CC2CCC1C2
+,,,,,,,,,,,,,0.0,,,,CID1282685,O=c1cc(O)[nH]c2c1sc1nc(-c3ccccc3)cc(C(F)(F)F)c12
+,,,,,0.0,,,,,,,,,,,,CID1048235,CCN(CC)c1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1
+,,,,,,,,,,,,,0.0,,,,CID717894,Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(O)cc2)cc1
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+,,,,,,0.0,,,,,,,,,,,CID659410,CCOC(=O)C1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3CC)OC1C(=O)OCC
+,,,,,0.0,,,,,,0.0,,,,,,CID919665,CCOC(=O)N1CCN(c2ncnc3c2[nH]c2ccc(F)cc23)CC1
+,,,,,,,,,,,0.0,,,,,,CID3216082,Cc1ccc(NC(=O)C2CCN(C(=O)NC3CCCCC3)CC2)c(C)c1
+,,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID660577,COC(=O)/C(C#N)=C1/SC=C(C)N1c1ccccc1
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,0.0,,,CID2549123,O=C(Cc1coc2ccc3ccccc3c12)N1CCN(c2ncccn2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2194105,CCN(CC)C(=O)C(=O)Nc1cccc(Br)c1
+,,,,,,,,,,,,,0.0,,,,CID1752641,CCCc1ccc(OCC(=O)NNC(=S)NC(=O)c2ccco2)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID653391,CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C
+,,,,,,,,,,,,0.0,,,,,CID1193906,CC(=O)c1cc(OC(=O)c2ccncc2)ccc1OC(=O)c1ccncc1
+,,0.0,,,0.0,0.0,,,0.0,,0.0,,,,,,CID2901459,CC(C)CNC1=CC(=O)CC(c2ccco2)C1
+,,,,,0.0,,,,,,,,,,,,CID727028,Oc1ccc(C2Nc3cccc4cccc(c34)N2)c(O)c1
+,0.0,,,,,,,,,,,,,,0.0,,CID660679,CC(C)/N=C(\NC#N)SCc1ccccc1F
+,,,,,,,,,,,,,0.0,,,,CID806954,O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1cccs1
+,,,,,,,0.0,,,,,,,,,,CID5771305,COc1ccc(OC)c(N/C=C2\C(=O)Nc3ccccc32)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID976767,O=C(CSc1ccc2ccccc2n1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID2897827,CC(NC(=O)C(Cc1ccccc1)NC(=O)c1ccccc1)C(=O)O
+,,,,,0.0,,,,,,,,,,,,CID1254512,CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2c(N)cccn2c1C(=O)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID6621133,FC(F)(F)c1cc(-c2ccccc2)nc(NC2CCCC2)n1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,,,0.0,,0.0,CID648164,Cc1ccc(-c2noc(CN3CCC(C(N)=O)CC3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1548693,CCOC(=O)c1cc2c(N)c(C(=O)c3ccc(Br)cc3)sc2[nH]c1=O
+,,0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,CID3236134,CCC(C)(C(=O)NC1CCCCC1)N(C)C(=O)c1ccccn1
+,,,,,,,,0.0,0.0,,,,,,,,CID3211876,CCOc1ccc(N(CC(=O)NC2CCCCC2)C(=O)CNC(=O)c2ccco2)cc1
+,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,,CID651083,COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1
+,,0.0,,,,,0.0,,0.0,,,,,,0.0,,CID761579,Cc1ccccc1-n1c(C)nc2ccccc21
+,0.0,0.0,,,,0.0,0.0,,,,,,,,,,CID123450,O=C(O)c1cccnc1Oc1ccccc1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID1306734,CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
+,,,,,,,,0.0,,,,,,,,,CID964618,CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1
+0.0,0.0,,,0.0,,,,,0.0,,,,,,0.0,,CID653178,Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16194942,O=C(Cc1cccs1)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1
+,,,0.0,,,,,,,0.0,,,,,,,CID2546016,Nc1nc(SCCOc2ccccc2)n[nH]1
+,,,,,,,,,0.0,,,,,,,,CID666621,O=C(O)CNC1=NCCC1
+,,0.0,,,,,,,,,,,,,0.0,,CID5307624,CCOC(=O)CN1CC23C=CC(O2)C(C(=O)NC2CCCC2)C3C1=O
+,,,,,0.0,,,,,,,,,,,,CID5346627,Cc1no[n+]([O-])c1COc1ccccc1C=O
+,,0.0,,0.0,,,0.0,,,,,,,,,0.0,CID2204165,O=C(Nc1ccccc1)c1ccc(NCc2ccco2)c(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,0.0,,,,,,,,0.0,,CID2940408,CCCCOc1ccccc1N1C(=O)CC(Sc2ncccc2C(=O)O)C1=O
+,,,0.0,,,0.0,,,,,,,,,,,CID2791261,CCOC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC3
+,,,,,,,,,0.0,,,,,,,,CID1383732,O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(c2c3c(nc4ncnn24)CCC3)CC1
+0.0,,0.0,,,0.0,,,,,,,,,,,,CID5307520,Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cnc[nH]2)CC1
+,0.0,0.0,,0.0,,,,,,,,,,0.0,,0.0,CID661542,Cc1c(-c2cccs2)[n+](=O)c2c(n1[O-])CCCC2
+,,0.0,,,,,,,,,0.0,,,,,,CID5399718,CC1(C)Cc2ccccc2/C(=C(\N=O)C(N)=O)N1
+,,,,,0.0,,,,,,,,,,,,CID1481616,COc1cccc(CSc2nc3ccccc3cc2C=O)c1
+,,0.0,,0.0,,,,0.0,0.0,,,0.0,,,,0.0,CID2946904,COC(=O)C(C(=O)Nc1cc(C)on1)C1CCCCCC1
+,,,,,,,,0.0,,,,,,,,,CID708193,CCOc1ccc2nc(SCC(=O)c3ccc(C)s3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID2886111,CC(C)(C)C1CCc2c(sc(NC(=O)c3ccncc3)c2C(N)=O)C1
+,,,,,,,,,,,0.0,,,,,,CID95778,Nc1n[nH]c(-c2ccccc2)n1
+,0.0,,0.0,,,,,,,0.0,,0.0,,,,0.0,CID644409,O=C(NCC1CC1)C1CCCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)C1
+,,,,0.0,,,,0.0,,0.0,,,0.0,0.0,,,CID604494,COc1ccc(NC(=O)CCSc2nnc(C)s2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2254918,S=C(NCCN1CCOCC1)Nc1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID650521,Cc1nn2c3ccccc3nc2c2ccccc12
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID874053,CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)Nc1ccccc1
+,,,0.0,,,0.0,,1.0,,,,,0.0,,0.0,,CID846277,CCOC(=O)c1ccc(NC(=O)CSc2nc(=O)cc(C)[nH]2)cc1
+,,,,,,0.0,,,,,,,0.0,0.0,0.0,,CID2372380,O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID1081951,CCOC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID619301,Cc1nn2c(N)c(C#N)cnc2c1-c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16034220,COc1ccc(CCNC(=O)C2CC(=O)N(CCc3ccccc3)C2)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID656027,COc1ccc(CCN2C(=O)C(O)=C(C(=O)c3ccco3)C2c2cccs2)cc1OC
+,,,,,,,,,,,,,0.0,0.0,,,CID7191252,CCCC(=O)Nc1nnc(SCC(=O)NCc2ccc3c(c2)OCO3)s1
+,,,,,,,,,,,0.0,,,,,,CID1344312,COc1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1
+0.0,0.0,,,,,,0.0,,0.0,0.0,0.0,,,,,,CID652337,O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccco1)NC1CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID804660,Cc1ccc(C(=O)Nc2ccc(O)cc2C(=O)O)cc1
+,0.0,0.0,0.0,,,,,0.0,,,,0.0,,,0.0,,CID664394,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2CCO)c1
+,,,,,,,,,,,,,0.0,,,,CID3813661,NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(Cl)cc2)c1=O
+,,,,,,,,0.0,,,,,,,,,CID1882353,CC(C)CCOC(=O)/C(=C/c1ccco1)NC(=O)/C=C/c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID1098111,COc1ccc(N(CC(=O)Nc2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2217945,CNc1nc(OCC#N)nc(N2CCCCC2)n1
+,,,,,,,,,,0.0,,,,,,,CID3243531,O=C(NC1CC1)C1CC(=O)N(C2CCCCC2)C1
+,,,,,0.0,,,,,,,,,,,,CID5348361,CC1CCN(C2=N/C(=C3\C=CC=CC3=O)Nc3ccccc32)CC1
+,,,,,,,,0.0,,,,,0.0,,,,CID2031397,COc1ccc(-c2c(NC(=O)c3ccco3)n(C)c3ccccc3c2=O)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID5309053,O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2)CC1
+0.0,0.0,0.0,,0.0,,,,,0.0,,,,,,,0.0,CID1021986,CS(=O)(=O)N(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2389148,COc1ccc(C2=C(c3ccc([N+](=O)[O-])cc3)C(=O)OC2)cc1
+,,,0.0,,,,,,,,,,,0.0,,0.0,CID2385730,C/N=c1\scc(C)n1/N=C/c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,0.0,,,CID5389435,CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1O
+,,0.0,,,0.0,,,,0.0,0.0,,0.0,,0.0,,,CID653142,CC(=O)N(CN1C(=O)c2ccccc2C1=O)c1ccccc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2925595,CC(=O)Nc1ccc(S(=O)(=O)Oc2cccc(N3C(=O)C4CCCCC4C3=O)c2)cc1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID644674,Cn1c(SCC(=O)Nc2cccc(O)c2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3245657,O=C(Nc1ccc2c(c1)OCO2)C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1488960,O=C(OCc1cncs1)c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID733985,CCc1ccc(OCC(=O)c2c(O)oc3ccccc3c2=O)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID4884460,COc1ccc(CC(=O)OCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
+,,,,,0.0,,,,,,,,,,,,CID1034641,Cc1ccc(-n2c(N)c(C#N)c(-c3ccc(Cl)cc3)c(C#N)c2=O)cc1
+,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,0.0,CID2135897,COc1ccc(C)cc1NC(=O)c1nnn(CCc2ccccc2)c1N
+,,,,,,,,,,,,,0.0,,,,CID5303299,CCOC(=O)c1c(NC(N)=O)nc2n1CCC2
+,,,,,,,,,,,,,,,,0.0,CID648398,Cc1ccc(C(=O)NC2CC3CCCC(C2)N3C(=O)NC2CCCCC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1297406,O=C(c1ccccc1Sc1c(Cl)cccc1[N+](=O)[O-])N1CCOCC1
+,,,,,0.0,0.0,,,,0.0,,,,,,,CID5390072,Cn1c(=O)n(C/C=C/c2ccccc2)c(=O)c2c1nc1n2CCCN1Cc1ccccc1
+,0.0,,,,,,,,,0.0,,,,,,,CID3240701,COc1ccc(NC(=O)C(c2ccccc2)N(C)C(=O)c2cnccn2)cc1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID929919,O=C(Oc1ccc(N2C(=O)CCC2=O)cc1)c1ccco1
+0.0,0.0,,0.0,,,,0.0,,0.0,,,0.0,,,,,CID2318726,c1ccc(N2CCN(CCc3nnc4n3CCCCC4)CC2)cc1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID2368170,CN1/C(=C\C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21
+,,,,,,,,,,0.0,,,,,,,CID2961877,Cc1ccc(SCc2[nH]nc3c2C(C(C)C)C(C#N)=C(N)O3)cc1
+,,0.0,0.0,,0.0,,,,,,,,,,,,CID654578,Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C#N)cc1
+,,,,,,,,,,,,,,0.0,,,CID875137,CCOC(=O)N1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1
+,,,,,0.0,,0.0,,,,,,,,,,CID652706,CCOCCNC(=O)c1ccccc1C(=O)NCCOCC
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID2944395,COCCNS(=O)(=O)c1ccc(SC)cc1
+,,,,,,,,,,0.0,,,,,,,CID2277394,CCc1ccc(CN/C=C/C(=O)c2ccc(Br)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2368723,N#Cc1cc(C(=O)c2cc(Cl)ccc2O)cn(-c2ccccc2)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1262921,O=C(OCc1ccccc1F)c1ccc2c(c1)-c1ccccc1C2=O
+0.0,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,0.0,CID645387,CC(C)n1c(SCc2ccc(Cl)cc2)nc2c1c(=O)[nH]c(=O)n2C
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID970944,Cc1cnn(C(=S)NCc2ccc(Cl)cc2)c1
+,,,,,,,,,,,0.0,,,0.0,,,CID799726,CN(C)c1ccc(C(=O)OCc2ccc(Br)cc2)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID655373,COC(=O)c1c(C(=O)OC)c2oc3ccccc3n2c1Cl
+,,,,,,,,,,,0.0,,,,,0.0,CID652380,CCCC(c1nnnn1CC(=O)OCC)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1
+,,,,,,,,,0.0,,,,,,,,CID3239712,CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nonc12
+,,,,,,,,,,,,,0.0,,,,CID2238303,Cc1ccc(OCC(=O)NNC(=S)NC(=O)C(C)(C)C)c(Br)c1
+,,,,,,,0.0,,,,,,,,,,CID2946587,CC1CC(=O)C=C(O)C1C(=O)OC(C)(C)C
+,,0.0,,,,,0.0,,,,0.0,,,,,,CID801681,Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID1290053,CC(=O)c1cc(F)c(N2CCN(C(=O)Cc3ccccc3)CC2)cc1C
+,0.0,,,,,,,,,,,,,,,,CID6324561,Cc1ccc(CC(=O)N2CCC(c3nc4n(Cc5ccccc5)[nH]nc-4c(=O)n3)CC2)cc1
+0.0,,0.0,0.0,,,,,,,0.0,,,,,0.0,0.0,CID2947741,C=C(C)c1cccc(C(C)(C)NC(=O)N2CCCC(C(N)=O)C2)c1
+,,,,,0.0,,,0.0,,,,,0.0,,0.0,,CID704700,CCOC(=O)Oc1ccc2oc(=O)cc(C)c2c1
+,,,,,,0.0,,,,,,,,,,,CID650412,O=C1C2CC=CCC2C(=O)N1c1ccc(OCC(O)Cn2nnc3ccccc32)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID847037,CC(C)(C)Cc1nnc(NC(=O)Cc2cccs2)s1
+,,,,,,,0.0,,,,,,,0.0,,,CID1201743,COc1ccc(C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1OC
+0.0,,,,,,0.0,,0.0,,,,,,,0.0,,CID2998036,CC1(C)CC(=O)C=C(Nc2ccc(Br)cn2)C1
+0.0,,,0.0,,0.0,,,0.0,,,,0.0,0.0,,,,CID654442,CC(=O)c1cccc(NC(=O)N2CCCC2C(=O)Nc2cc(C)ccc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID5740140,O=C(COc1ccccc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID2862715,CCSc1nnc(NC(=O)C2CC2c2ccccc2)s1
+,,,,,,,,0.0,,,,,,,,,CID1548111,Cc1cc(C)nc(SCc2nc3nc(C)cc(C)n3c2Br)n1
+,,,,,,,,,,,,0.0,,,,0.0,CID3242119,O=C(c1cc(S(=O)(=O)N2CCCCC2)ccc1F)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID4070884,CCOC(=O)CSc1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]
+0.0,,,,0.0,,,,,0.0,,,0.0,,,0.0,,CID653402,O=C(CSCC(=O)NCc1ccco1)NCc1ccco1
+,,,,,,,,,,,,,,0.0,,,CID6096699,COc1cccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID3240354,Cc1ccc2nc(NC(=O)CN(C)S(=O)(=O)c3cccc4nsnc34)sc2c1
+,,,,,0.0,,,,,,,,,,,,CID5345582,CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccs3)c(=O)n2C1c1ccc(OCC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2081497,COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C)C)nc2c1
+,,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,,CID794276,COC(=O)Nc1nnc(Cc2ccccc2)s1
+,,,,,,,,0.0,,,,,,,,,CID2887896,CCOC(=O)Cc1nnc(Nc2cccc(C)c2)c2ccccc12
+,,0.0,,,,,,0.0,,,,,,,0.0,,CID705661,COC(=O)c1cc(COc2ccc3ccc(=O)oc3c2)c(C)o1
+,,,,,0.0,,,,,,,,,,,,CID4880979,CSc1nc2ccc(NC(=O)C3CC(=O)N(Cc4ccccc4)C3)cc2s1
+,0.0,,,,,,,,,,,,,,0.0,,CID70818,Cc1ncc(CO)c2c1OC(C)(C)OC2
+,,,,,,,,0.0,,,,,0.0,,,,CID699054,CCc1nccn1S(=O)(=O)c1cc(Br)ccc1OC
+,,,,0.0,,,,,,0.0,,,,,,,CID2087430,O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID1259409,O=C(Nc1cccc(S(=O)(=O)C(F)F)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2608556,COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
+,,,,,,,,,,,,,,0.0,,,CID4832712,CC(C)CCNC(=O)NC(=O)COC(=O)CCNC1=NS(=O)(=O)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1480196,CC(C)C(=O)O/N=C1\CCS(=O)(=O)c2sccc21
+,,,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,CID2580007,O=C(CCCSc1ccccc1)Nc1nc(-c2ccccn2)cs1
+,,,,,,,,,,,,,0.0,,,,CID993465,COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccs2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1796345,COCCNC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,0.0,,0.0,CID2933378,CCOc1ccc(NC(=O)C2CC(C)=C(C)CC2C(=O)O)cc1
+,,,,,,,,,,,,,,0.0,,,CID6465362,CCCNC(=O)NC1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1254423,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2281832,Cc1ccc(CSCCNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc1
+0.0,,,0.0,0.0,,,,,0.0,,,,,,,0.0,CID3239346,O=C1CSC(c2ccccn2)N1c1cccc(Cl)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID652790,COc1cc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCCC3)c(=O)[nH]c2cc1OC
+,0.0,,0.0,,,,,,,,,0.0,,,,0.0,CID712700,Nc1nc2c(s1)CCc1c-2cnn1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1092966,COc1ccc(OCC(=O)Nc2nc3ccc(NC(C)=O)cc3s2)cc1
+,,,,,,,,,,0.0,,,,,0.0,,CID645463,O=S(=O)(NC1CCN(Cc2ccccc2)CC1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+,,,,,,,,,0.0,,,,,,,,CID786215,O=C(CN1CCSCC1)N/N=C/c1ccc(F)cc1F
+,,,,,,,,,0.0,,,,,,,,CID3213372,COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)S(=O)(=O)c1ccc(C)cc1
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID3243113,COc1ccccc1OCc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID3150939,OCc1nc2ccccc2n1CCCOc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4249305,O=C(NC(Cc1c[nH]c2ccccc12)c1nnc2n1CCCCC2)c1ccc(Cl)cc1
+,,,,0.0,,,0.0,,,,,,,,,0.0,CID689038,COc1ccc(CC(=O)c2ccc(O)cc2O)cc1OC
+,,,,,0.0,,,,,,0.0,0.0,,,,0.0,CID2999537,Cc1csc(C(C#N)C(=O)c2cc3ccccc3o2)n1
+,,,0.0,,,,,,,,,,,,,,CID659196,Cc1ccc2c(c1)C(C)(C)C1(C)NC(=O)CCN21
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5739326,CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)OCO3)C1c1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID2315023,Cc1ccc(/C=C/C(=O)Nc2nccs2)o1
+0.0,0.0,,0.0,,,,,,,,0.0,0.0,,,0.0,0.0,CID652919,O=C(NC1CCCC1)C1CCCN1C(=O)Nc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID2208936,O=C(/C=C/Nc1ccccc1C(=O)O)c1cccs1
+,,,,,,,,0.0,,,,,,,,,CID673378,Cc1cc(C(F)(F)F)nn1CC(=O)N1CCOCC1
+,,,,,,0.0,,,0.0,,,,,,,,CID665582,Cc1cccc(OCC(O)Cn2c(-n3nc(C)cc3C)nc3c2c(=O)[nH]c(=O)n3C)c1
+,,,,,0.0,,,,,,,,,,,,CID9551839,Cc1ccc(S(=O)(=O)/N=C2\C(=O)c3ccccc3C([O-])=C2n2cc[n+](CCC(C)C)c2)cc1
+,,,,,,,,,,,0.0,,,,,,CID917185,CC(=O)Nc1sc(C)c(C)c1C(=O)Nc1ccc(C)cc1
+,,,,,,,,,,,0.0,,,,,,CID1481493,O=C(/C=C/c1cc2c(cc1Br)OCO2)NCc1ccc(F)cc1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID648540,CCn1c(SCCC(=O)O)nnc1-c1cccnc1
+,0.0,,,0.0,,,0.0,,,,,0.0,,,,,CID3239030,COc1ccccc1C(=O)Nc1c2c(nn1-c1cccc(C)c1C)CS(=O)(=O)C2
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1132054,CCn1c(SCC(=O)Nc2ccccc2OC)nc2ccccc2c1=O
+,,,,,,,,,,,0.0,,,,,,CID1221201,COc1ccc(-c2cc(C(=O)n3cnc4ccccc43)c3ccccc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3701276,CCC/C=N/NC(=O)c1[nH]c2c([N+](=O)[O-])cccc2c1C
+,,,,,0.0,,,,,,,,,,,,CID2888274,O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID16196670,Cc1nnc(SC(C)C#N)n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,0.0,CID3236841,O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl
+,,,,0.0,,,,0.0,0.0,,,,,,,0.0,CID3240067,O=S(=O)(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F
+,0.0,,,,,,,,,,,,0.0,,0.0,,CID974709,Cc1ccc(SCc2nc(-c3ccccc3)no2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5908470,CC1=CC(=O)/C(=C/NNc2ccccc2Cl)C(=O)O1
+,,,,,,,,,,,,,,0.0,,,CID2936838,Cc1ccc(NC2=NC(=O)C(CC(=O)O)S2)cc1
+,,,,,,0.0,,,,,,0.0,,,,0.0,CID3241723,CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID5308055,O=S(=O)(NCc1ccc2c(c1)OCO2)c1cnc[nH]1
+0.0,,,0.0,,,,,,,,,,,,,,CID5309704,Cn1cccc1Cc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID3132056,CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(NS(C)(=O)=O)cc1
+,,,,,,,0.0,,,0.0,,,,0.0,,,CID5307431,Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4(C)C3=O)cccc12
+,,,,,,,,,,,0.0,,,0.0,,,CID2834981,CCCCNC(c1ccccc1)c1ccncc1
+,,0.0,0.0,,,,,0.0,,,0.0,,,,,,CID2231095,Cc1ccccc1Cn1ccc(NC(=O)c2cnn3cccnc23)n1
+,,,,,,,,,,,,,0.0,,,,CID1240719,O=C1c2cc3ccccc3c(-c3ccccc3)c2C(=O)N1c1ccccn1
+,,0.0,,,,,,,,,,,,,,,CID3245025,CCN(CC)CCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1
+,,,,,,,,0.0,,,,0.0,,,,,CID755497,Cc1ccc(C(=O)c2coc3ccc(OCC(=O)O)cc23)cc1
+,,,,,,,0.0,,,,,,,,,,CID2878491,O=C(c1ccccc1F)N1CCN(CC2CC3C=CC2C3)CC1
+,0.0,0.0,,0.0,,,,,,0.0,,,,,0.0,,CID3245600,O=C(NCc1nnc(SCC(=O)N2CCCC2)o1)c1ccccc1F
+,,,,,,,,,0.0,,,,,,,,CID3191353,COc1cccc(C(C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(-n3cnnn3)c(C)c2)c1
+,,,0.0,,,,,,,,,,,,,,CID649751,CCOC(=O)Cc1csc(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)n1
+,0.0,0.0,0.0,,,,,,,,,0.0,,,,,CID653969,COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1
+,0.0,,0.0,,0.0,,0.0,,,0.0,,,,,,,CID652937,Cc1ccc(-n2ncc3c(=O)n(CC#N)cnc32)cc1
+,,,,,0.0,,,,,,,,,,,,CID2829581,Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1[N+](=O)[O-]
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,0.0,,CID645176,CCn1c(NCc2cc(OC)ccc2OC)nc2ccccc21
+,,,,,0.0,,,,,,,,0.0,,,,CID2288692,Cc1cccc(CSCCNC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)c1
+,,,,,,,,,,,,,0.0,,,,CID2521393,CCCc1cc(=O)nc(SCC(=O)NCCC2=CCCCC2)[nH]1
+0.0,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID2828683,COc1cccc(C2C(C#N)=C(N)Oc3cc(C)oc(=O)c32)c1OC
+,,0.0,0.0,,,0.0,0.0,,,,0.0,,,,,0.0,CID1377098,CCOc1ccccc1N1CCN(Cc2cccc(OC)c2OC)CC1
+,,,0.0,,0.0,,,,0.0,,0.0,,,,,,CID650572,c1csc(Cn2nnnc2CN2CCN(c3nc4ccccc4s3)CC2)c1
+,,,,,,,,,,,,,,,,0.0,CID5309215,CCCSCCCNC(=O)Cn1cc2c(n1)CCC(C)C2
+0.0,,,,,,0.0,0.0,0.0,,,,,,,,,CID3236722,O=C(CNC(=O)c1ccccc1)NC1(C(=O)NC2CCCC2)CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2307990,O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID1473208,CC(=O)Nc1cccc(Oc2cnc3ccccc3n2)c1
+,,,,,,0.0,,,,0.0,,0.0,,,,,CID661824,CC1=C(C(=O)OC(C)C)C(c2cccs2)N2C(=O)C(C)SC2=N1
+0.0,0.0,,,,,0.0,,,0.0,,,,,,0.0,,CID664515,COC(=O)C(NC(=O)NCc1ccccc1Cl)C(C)C
+,,,,,0.0,,0.0,,,,,,,,,,CID3244285,CC1=C(C(=O)N2CCCCCC2)C2(CCC(C)CC2)OC1=O
+,,,,,,,,,0.0,,,,0.0,,,,CID2020650,COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N2C(=O)CSC2=S)cc1
+0.0,,0.0,,,,,0.0,0.0,,,0.0,,,,,0.0,CID3239790,Cc1cc(C)c(Cn2c(=O)n(CCCC(=O)NCc3ccco3)c(=O)c3ccccc32)c(C)c1
+,,,0.0,0.0,0.0,0.0,,,,,0.0,0.0,0.0,,,,CID655058,CSc1ccc(N2C(=O)NC3(CCCCC3)C2=O)cc1
+,,,,,,,,0.0,,,,,,,,,CID2886431,CC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O
+,,,,,0.0,,,,,0.0,,,,,,0.0,CID2882071,CCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(N(C)C)cc1
+,,,,0.0,,,,,,,,0.0,,,,,CID649139,CCc1ccc2[nH]c(=O)c(CN(CCCN3CCOCC3)C(=O)Nc3cccc(Cl)c3)cc2c1
+,,0.0,0.0,,,,,,,0.0,,,,,,0.0,CID666100,Clc1cccc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1
+,,,,,,,,,,,0.0,,0.0,,,,CID1183401,COc1ccc(/C=C/C(=O)N(CC(C)C)CC(C)C)cc1Br
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID2975754,COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID6404676,Cc1ccc(-c2nnc(C)c(N3CCOCC3)n2)cc1
+0.0,,0.0,,0.0,,,,,0.0,,,,,,,,CID653650,CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(OC)ccc1OC
+,,,,,,,,0.0,,,,,,0.0,,,CID748738,O=C(COc1ccc(Br)cc1)NCc1ccccn1
+,,,,,,,,,,,,,,0.0,,,CID1452399,CC(C)c1ccc(N(CC(=O)NCc2ccc(F)cc2)C(=O)c2csnn2)cc1
+,,,,,,,,,,0.0,,,,,,0.0,CID2615763,Cc1ccc(-n2nnnc2SCc2nnc(-c3ccccc3Br)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID5309940,CCCCNC(=O)CS(=O)Cc1nc(-c2cccc(Cl)c2)oc1C
+,,,,,0.0,,0.0,,,,,,,,,,CID664101,CC(C)C(NC(=O)NC1CCCc2ccccc21)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID898569,Cc1cccc(N2CCN(C(=O)/C=C/c3ccco3)CC2)c1C
+,,,,,,0.0,,,0.0,,0.0,,0.0,,,0.0,CID1306940,COc1ccccc1NC(=O)CN(c1ccccc1F)S(C)(=O)=O
+,,0.0,,,,,,,,,,,,,,,CID616536,CC(=O)c1ccc(N2CCCCCC2)c(F)c1
+0.0,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID651521,O=C(CN(C1CCCCC1)S(=O)(=O)c1ccccc1)NCc1cccnc1
+,0.0,0.0,,0.0,,,,,,0.0,0.0,,,,0.0,,CID2024171,Nn1c(SC/C=C/c2ccccc2)nnc1-c1ccccn1
+,,,0.0,,,0.0,,0.0,,,,0.0,,,,,CID957413,Fc1ccccc1N1CCN(Cc2nc(-c3ccccc3)no2)CC1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID868666,COc1ccc(CCNS(=O)(=O)c2ccc(OC)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2766487,Cc1nc(S(=O)(=O)Cc2ccccc2Cl)nc2c1CCC2
+0.0,,0.0,0.0,,,,,,0.0,,,,,0.0,,0.0,CID3240862,CN1CCN(C(=O)c2cc(-c3cccc(Cl)c3)on2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1488751,Cc1cc(-c2ccccc2)nc(Oc2ccc(C(C)(C)C)cc2)c1S(C)(=O)=O
+,,0.0,,,,,0.0,,,,,,,,,,CID952079,CCOC(=O)c1ccc(COC(=O)c2cc3ccccc3oc2=O)o1
+,,,,,0.0,,,,,,,,,,,,CID4097066,COc1ccc(C2CN=NC23CCCc2ccccc2C3=O)cc1
+0.0,0.0,0.0,0.0,0.0,,0.0,,,,,,0.0,,,0.0,0.0,CID1021267,COc1ccc(Cc2nnc(SCC(=O)NC3CCCCC3)n2C)cc1
+,,,0.0,,,,,,0.0,0.0,,,,,0.0,,CID3244292,CCCS(=O)(=O)N1CCCC(C(=O)N2CCC3(CC2)OCCO3)C1
+0.0,,,0.0,0.0,,,,,,0.0,,,,,0.0,,CID2548190,CN(Cc1cccs1)C(=O)COc1ccc(-c2nnco2)cc1
+,,,,,,,,,,,,,,0.0,,,CID4407764,COc1ccc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3)c2)cc1OC
+,,,,,,,,,,,0.0,,0.0,,,,CID757354,Cc1ccccc1OCCn1cnc2c(N)ncnc21
+,,,,,,,,,,,,,0.0,,,,CID5738061,O=c1c2ccccc2nc(/C=C/c2ccccc2)n1CCc1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID9550090,COCCCNC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1
+,,0.0,,,,,,,,0.0,,0.0,,,0.0,,CID647209,COCc1[nH]nc2c1C(c1cc(OC)c(O)c(OC)c1)C(C#N)=C(N)O2
+,,,,0.0,,,0.0,,,,,,,,,,CID3240307,CCCCNC(=O)CSc1cc(=O)n(C)c2ccccc12
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2999289,O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)N1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1287570,Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)c2ccccc2C(=O)NCc2ccco2)cc1
+,,,,,,0.0,0.0,,,0.0,,,0.0,,0.0,,CID803812,Cc1ccc(OCCn2nc3ccccc3n2)c(C)c1
+0.0,0.0,,0.0,0.0,0.0,,,,,,,,,,,,CID665672,Cc1ccc(Nc2ncc3c(n2)CC(c2ccco2)CC3=O)c(C)c1
+,,,,,0.0,,,,,,,,,,,,CID6538519,CCN1C(=O)N/C(=C/c2ccc(Sc3ccc(C)cc3)o2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID16193416,O=C(N/N=C/c1cccnc1)c1ccccc1OCc1cccc(Br)c1
+,,,,0.0,,,,,,,0.0,0.0,,,0.0,,CID890163,NC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCCC3
+,,,,,0.0,,,,,,,,0.0,,,,CID2769309,O=C(Nc1ccccc1)c1cc(-c2ccccc2Cl)no1
+,,,,,,,,,0.0,,0.0,,,0.0,,,CID936562,CCN1CCN(c2nc(-c3ccccn3)nc3ccccc23)CC1
+,,,,,0.0,,,,,,,,,,,,CID2878840,O=C1/C(=C\Nc2ccc3c(c2)OCO3)CCc2ccccc21
+,,,,,,,0.0,,,,,,,,,,CID548516,[O-][n+]1onc2c1CCc1nnccc1-2
+,0.0,,,,,,,,,,,,,,0.0,,CID3245040,O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)N1CCCCC1
+0.0,,,,,,,,,,,,,,,,0.0,CID2086928,Cc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2N)ccc1Br
+,,,,,0.0,,,,,,,,,,,,CID722524,O=C(NCc1cccs1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5189629,O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1cc(F)ccc1F
+,,0.0,,,,,,,,0.0,,,,,,,CID5309807,O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID4213316,CC(=O)NCC(=O)N(C)C(C(=O)Nc1ccc(C(C)C)cc1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID151916,O=C(O)c1cc(-c2ccccc2)on1
+,,,,,0.0,,,,,,,,,,,,CID3139654,Cc1cccc(C(=O)Nc2cc(-c3cccc(C)c3)[nH]n2)c1
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+,0.0,,0.0,,,,,,,,,,,,,,CID1011844,Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1
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+,0.0,,0.0,,,0.0,,,,,,,,,,,CID2190946,CC(=O)NCCOc1nc(N(C)C)nc(N(C)C)n1
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+,,,,,,,,,,,,,,0.0,,,CID834482,Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)c(C)c1
+,,,,0.0,,,,,,,0.0,,,,,,CID3245486,CC(C)C(NS(=O)(=O)c1cccs1)C(=O)N1CCc2ccccc2C1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID745384,Cc1nnc(NC(=O)c2cccc(Br)c2)s1
+,,,,,,,0.0,,,,,,,0.0,,,CID5389770,COc1cc(C2/C(=C(/O)c3ccc(OCC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O
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+,,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID660031,COC(=O)C1CCN(C(=O)c2ccc(SC)cc2OC)CC1
+,,,,,,,,,,,,,0.0,,,,CID375285,Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)o2)cc1
+,,,,,,,,,,,,0.0,,,,,CID2110716,Cc1csc(NC(=O)Cn2cnnn2)n1
+,,,,,,,,,,,,0.0,,,,,CID712052,Cc1cc(C)c(C(N)=O)c(Nc2ccc3c(c2)OCCO3)n1
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+,,,,,,,0.0,,,,,0.0,,0.0,,,CID5389853,CCCOC(=O)C1C2C=CC3(CN(C(C)c4ccc(OC)cc4)C(=O)C13)O2
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+,,,,,,,,,0.0,,,,,,,,CID660383,C(=N/n1cnnc1)\c1ccccn1
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+,,,,0.0,,,,0.0,,,0.0,,,,,,CID653904,Cc1sc(NC(=O)CSc2nnc3scc(-c4ccccc4)n23)c(C#N)c1C
+,,0.0,,,,,0.0,,,,,,,,,,CID657671,CCCC(=O)Nn1cnc2c(c1=O)C1(CCCC1)Cc1ccccc1-2
+,,,,,0.0,,,,,,,0.0,,,,,CID782097,CN(C)CCN(C)Cc1ccc2c(c1)Cc1ccccc1-2
+,,,,,,,,,0.0,0.0,,,,,,,CID2193420,C=CCSc1nc(=O)c(C#N)c(-c2ccccc2)[nH]1
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+,,,,,,,,,,,,,,0.0,,,CID2474976,CCCCn1c(N)c(N(CC(C)C)C(=O)CCCSc2nncs2)c(=O)[nH]c1=O
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+,0.0,0.0,,,0.0,,,,,0.0,,0.0,,,0.0,0.0,CID653783,CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=O)Nc3ccccc3OC)cc2c1
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+,0.0,,,,,,,0.0,,,,,,,0.0,0.0,CID3235908,CCC(C)NC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID3000009,CC(SC1CCCC1)C(=O)NC(C)(C#N)C(C)C
+,,,,,,,,,,,,0.0,,,0.0,,CID730934,CCOc1ccc2[nH]c(C)cc(=O)c2c1
+,0.0,,,,,,,,0.0,,,,,0.0,,,CID650750,CCC(=O)Nc1ccccc1-c1nnn(CC(=O)N2c3ccccc3CC2C)n1
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+,0.0,,,,,,0.0,,,,,,,,,,CID385805,CCOC(=O)Cc1nn2c(=O)cc(C)nc2s1
+,,,,,,,,0.0,,0.0,,,,,,,CID1443840,CCC(C)(C)n1nnnc1CN1CCC(NC(=O)c2ccc(Br)cc2)CC1
+,,,,,,,,,,,0.0,0.0,,,,,CID647425,Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2cccnc2)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID3245559,CCOC(=O)C1CCN(c2cc(=O)n(-c3ccccc3Cl)c(=O)[nH]2)CC1
+,,,,,,,,,0.0,,,,,,,,CID1148001,O=C(COc1ccc2ccccc2c1)N1CCN(C(=O)c2cccs2)CC1
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+,0.0,0.0,,,,,0.0,,,,,,,,,0.0,CID5389591,COc1ccc(NC(C)=C2C(=O)N(C)C(=O)N(C)C2=O)c(OC)c1
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+,0.0,0.0,0.0,0.0,,,,,,,,0.0,,,,0.0,CID2945782,CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1ccc(Cl)cn1
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+,,,,,,,,,0.0,,,,,,,,CID2207802,CCCCCOC(=O)Nc1nnc(CCCCC)s1
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+,0.0,,,,,,0.0,,,,,,,,,,CID665149,Cc1cccc2[nH]c3c(=O)n(CCN4CCNCC4)cnc3c12
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+,0.0,,,,,,,,,,,,,,,,CID5390093,CC1=CC(=O)N2C(=NC(Nc3ccc(C)cc3)=NC2c2ccc(C)cc2)N1
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+,0.0,,0.0,,,,,,0.0,,,,,,,,CID661036,OCC#CCSc1nnc(-c2ccncc2)o1
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+0.0,,,,0.0,,,,,0.0,0.0,,,,,0.0,0.0,CID2999022,CCOC(=O)c1sc2nc(CSc3nc4ccccc4n3CC)[nH]c(=O)c2c1C
+0.0,,,,,0.0,,,,,,,,,,,,CID653059,Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CC(C)N2C(=O)C1CC1
+,,,,,,,,,0.0,,,,,,,0.0,CID2849881,CCOc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1
+,,,,,,,,,,,,,0.0,,,,CID678894,Cc1ccc(-c2csc(NC(=O)c3cccc([N+](=O)[O-])c3)n2)cc1
+,,0.0,,,,,,,,,,,,,,,CID657685,CCCOc1ccc(Cc2nn[nH]n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID973196,CN(c1ccc(O)cc1)c1nc(-c2cccs2)cs1
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+,,,,,0.0,,,,,,,,,,,,CID9552049,CC1CCCN(S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)C1
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+,,,,,,,,,,,,,0.0,,,,CID740042,COc1ccc(NC(=O)CCN2CCCC2)c(OC)c1
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+,,,,,,,,,,,0.0,,,,,,CID5514357,COC1=CC=C/C(=C\NNc2nn3cnnc3c3ccccc23)C1=O
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+,,,,,0.0,,,,,,,,,,,,CID11957307,CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC(C)=O)c(OCC)c3)c(=O)n2C1/C=C/c1ccccc1
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+,0.0,,,,,,,0.0,0.0,,,0.0,,,,,CID662194,CC(C)Oc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2Cc2cccnc2)cc1
+,0.0,0.0,,,,,0.0,,0.0,0.0,,0.0,,0.0,,,CID2219830,COc1cc2c(cc1NC(=O)CCCN1C(=O)CCC1=O)oc1ccccc12
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+,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID963966,NC(=O)C1CCN(C(=S)c2cccs2)CC1
+,0.0,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,0.0,CID788570,O=C(CN1C(=O)c2ccccc2C1=O)Nc1cccc2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID847891,COc1ccc(NC(=O)c2cc(SC)ccc2Cl)cc1
+,,,,,,,,,,,,,0.0,,,,CID1488402,CCOC(=O)Cn1c(-c2ccc(Cl)nc2)nc2ccccc21
+,0.0,,0.0,,0.0,,,0.0,,,,0.0,,,,,CID744022,COCc1cc(C)nc(Nc2ccc(C)c(C)c2)c1C#N
+0.0,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID3235847,O=C(CCC1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1
+,,,,,0.0,,,,0.0,,,,,,,,CID713248,CCc1ccc(OCC(=O)Nc2ccc3c(c2)COC3=O)cc1
+,,,,,,,,,,,,,0.0,,,,CID895405,CCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)c(OC)c1
+0.0,,,,,,0.0,0.0,,,,,0.0,,,,,CID894384,O=C1NC(=O)c2cc(NC(=O)C3CCCCC3)ccc21
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+,,,,,,,,,,,,,0.0,,,,CID732342,O=C(NC(=S)N1CCCCCC1)c1ccccc1Cl
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+,,,,,,,,,,,,,0.0,,,,CID16066557,Clc1nc2ccccc2cc1-c1nnn(-c2ccccc2)n1
+,,,,0.0,,,,,,0.0,,,,,,,CID2946812,COc1cc(C(C)=O)ccc1OCC(O)CN1CCN(S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID621330,O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1
+,,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID4649,Nc1ccc(C(=O)O)c(O)c1
+,,,,,,,,,,,,,,,0.0,,CID1095807,COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1ccc2c(c1)OCCO2
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+,,,,,0.0,,,,,,,,,,,,CID4566880,COc1cccc(/C=N/Nc2snc(SC)c2C#N)c1
+,,,,,,,,,,,0.0,,,,,,CID741918,COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1/C=C/c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1483711,O=C(Nc1ccc(Br)cc1)c1csc(-c2ccncc2)n1
+,,,,,,,,1.0,,,,,,,,,CID5310121,O=S(=O)(NCc1csc(-c2cccnc2)n1)c1cccs1
+0.0,,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,CID980307,Cc1ccnc(SCC(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
+,,0.0,0.0,0.0,,,,,,,,0.0,,,0.0,0.0,CID3236427,Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID373127,O=C1c2ccccc2C(=O)N1CCCOCc1c[nH]c(=O)[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID851777,O=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1
+0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,0.0,,CID2631946,O=C(COc1ccccc1Cl)NC(=O)NC1CCCC1
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID2999135,Cc1cc(NC(=O)CSc2nnc(C(C)N(C)C)n2Cc2ccccc2)no1
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID663259,C=C(C)CSc1nnc(CCNC(=O)OC(C)(C)C)o1
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID661512,CCC(=O)Nc1ccc(-c2nnc(SCC(=O)NCC3CCCO3)n2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID2157361,CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,0.0,,,0.0,,,,,,0.0,,,,,0.0,CID3238982,COc1ccccc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1
+,,,,,0.0,0.0,,0.0,,,,,,,,0.0,CID3243246,O=C(NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2
+,0.0,,,,,,,,,,,,,,,,CID5389257,O=C1OC(c2ccco2)=N/C1=C\Nc1cccc(Cl)c1
+,,,,,,,0.0,,,,,,,,,,CID2137,CCn1cc(C(=O)O)c(=O)c2ccc(Cc3ccccc3)nc21
+,,,,,,,0.0,,,,,,,,,,CID664655,N#Cc1nc(-c2ccco2)oc1N1CCCC1
+,,,0.0,,,,0.0,,,,,,,,,,CID847921,Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1
+,0.0,,,0.0,,,,,,1.0,,,,,,,CID1422080,CCc1ccc(Nc2nc(N)nc(CSc3nnnn3-c3ccccc3)n2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2883753,Cc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
+0.0,,0.0,0.0,,,,,,,0.0,,,,,,0.0,CID2864034,O=C(NCC1CCCO1)NC12CC3CC(CC(C3)C1)C2
+,,,,,,0.0,0.0,0.0,,,0.0,,,,0.0,,CID1245006,O=C(NCC1CCCCC1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID2115997,CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nccs2)c1
+,,,,,,,,,,,,,0.0,,,,CID1868776,N#Cc1c(N)n(CCNC(=O)c2ccccc2)c2nc3ccccc3nc12
+,,,,,,,,,,,,,0.0,,,,CID850580,Cc1cc(C)c(C)c(OC(=O)c2sc(Cl)nc2C)c1
+,,,,,,,0.0,0.0,,,,,,,,0.0,CID2964358,COc1cccc(N2CC(C(=O)NC3CCCCC3)CC2=O)c1
+,,,,,,0.0,,,,,,,,,,0.0,CID650285,CCCn1c(SC2C(=O)CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C
+,0.0,,0.0,,,,0.0,0.0,,,,,,,,,CID866472,Cc1cc(C(=O)Nc2cccnc2)no1
+,,,,,,,,,,,,,,0.0,,,CID5708007,O=C1Nc2ccccc2C2=NC(CN3CCN(Cc4ccccc4)CC3)CN12
+0.0,0.0,0.0,,,,,,,0.0,,,,0.0,,,0.0,CID651827,COc1ccc(-c2ocnc2C(=O)Nc2ccccc2N2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3409818,O=C1COc2ccc(C(=O)c3ccccc3C(=O)NCc3ccco3)cc2N1
+,,,,,,0.0,0.0,,,,0.0,,,,,,CID2999375,Cc1cc(NC(c2cccnc2)c2ccc3cccnc3c2O)no1
+,,,,,,,,0.0,,0.0,,,,,,,CID1455065,CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1ccoc1C
+,,0.0,,,,0.0,,,,,,,,0.0,0.0,0.0,CID665623,CN(CCC#N)c1ncnc2scc(-c3ccccc3)c12
+,0.0,0.0,,,,,0.0,0.0,,,,0.0,,0.0,,,CID2218592,CCOc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1OCC
+,,,,,,,,,0.0,,,,,,,,CID2123127,Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccc(C(F)(F)F)cc2)n1
+,,,,0.0,,,,,,,,,,,,,CID3240725,O=C(CSC1=NCCS1)Nc1nc2c(s1)CCCC2
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID3237557,O=C(O)CN1CCN(Cc2ccccc2Cl)C1=O
+,,,,,0.0,,,,,,,,,,,,CID823638,O=C(COc1ccc2ccccc2c1)Nc1ccncc1
+,,,,,,,,,,,,,,0.0,,,CID608996,CC(=O)c1cnc(-c2ccccc2)s1
+,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,CID2928616,CCOc1ccc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID890401,COc1ccccc1CNC(=O)Cc1ccc(C)cc1
+,,,0.0,,,,,0.0,,,,0.0,,,,,CID1622624,Cc1cccc(OCCCC(=O)O)c1
+,,,,,,,,0.0,,,,,,,,,CID9550727,CCOc1ccccc1CNC(=O)c1cc2oc3ccccc3c2n1C
+,,,,,,,,,,,,,0.0,,,,CID716344,COc1cc(/C=C/C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID2123970,COc1ccc(CC(=O)Nc2nc(-c3ccncc3)cs2)cc1
+,,,,,0.0,,,,,,,,,,,,CID3683918,Cc1csc(SCc2ccc(C(=O)O)cc2)n1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2967140,CN1C(=O)C(O)(C2COC(C)(C)CC2=O)c2cc(Br)ccc21
+,,,0.0,,,,,,,,,0.0,,,,,CID651632,CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(C(=O)c2ccco2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID3224857,CC1=CC=CC2=NC(=O)CC(C)(C(=O)N(CC(=O)NC3CCCC3)c3ccccc3C)N12
+,,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,0.0,,,,CID2336231,O=S(=O)(CCc1ccccc1)/N=C/c1cccs1
+,,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,CID650283,CCOC(=O)c1cc2sccc2n1CC(=O)N1c2ccccc2CC1C
+,,,,,,,,,0.0,,,,,,,,CID2856916,CCn1c2ccccc2c2nnc(SCC(N)=O)nc21
+,,,,,,,,,,,,,0.0,,,,CID2444242,CSCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1
+,,,,,0.0,,,,,,,,,,,,CID724174,O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1Cl
+0.0,0.0,,,,0.0,0.0,0.0,,,,,,,,,,CID2408467,Cc1ccc(Nc2cc(C)nn2-c2nc(=O)cc(C)[nH]2)cc1
+,,,,,,,,,0.0,,,,,,,,CID647840,COCCn1c(SCC(=O)c2ccc(F)cc2)nnc1C(C)C
+,0.0,,0.0,0.0,,,,,,,,0.0,,,,0.0,CID1258480,COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(S(C)(=O)=O)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16191017,COCCN(C(=O)CC1C(=O)NCCN1CC(c1ccccc1)c1ccccc1)C(C)C
+,,,,,,,,,,,,,0.0,,,,CID969080,O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)OCO2
+,,,,,,,,,,0.0,,,,,,,CID1090308,Oc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12
+0.0,,,,,,,,,,,,,,,,,CID3236146,O=C(CCN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1F
+,,,,,0.0,,,,0.0,,,,,,,,CID9550219,COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1
+,,,,,,,,,0.0,,0.0,0.0,,,,,CID967914,COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccccc1
+0.0,,,,,,,,,0.0,,,0.0,,,,0.0,CID882091,CCC(CC)C(=O)NCc1ccccc1Cl
+,,,0.0,,,0.0,0.0,,,,,,,,,,CID652630,C=C(C)Cn1c(SCCCO)nc2c1c(=O)[nH]c(=O)n2C
+0.0,0.0,0.0,0.0,,,0.0,,,,,,0.0,0.0,,,0.0,CID662539,Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)ccc1Cl
+,,,,,0.0,,,,,0.0,,,,,,,CID2573117,CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3nc4c(s3)CCCC4)c2)CC1
+,,,,,0.0,,,,,,,,,,,,CID846030,CCCc1cc(=O)n2[nH]c(-c3ccc(C)cc3)c(C)c2n1
+,,,,,,,,,,,,,,0.0,,,CID1153963,CC(C)COc1ccc(S(=O)(=O)NNC(=O)c2cc3ccccc3o2)cc1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID2676802,O=C(CCCN1C(=O)c2ccccc2C1=O)NC1=NCCS1
+,,,,0.0,,,,,,,,,,,,,CID972292,Oc1ccc(Nc2nc(-c3ccc(O)cc3)cs2)cc1
+,,,,,,,,0.0,,,,,,,,,CID2967428,O=C(c1cccnc1)N1C2C=CC(C2)C1(C(F)(F)F)C(F)(F)F
+,,,,,,,,0.0,,,,,0.0,,,,CID930454,Cc1cc(=O)oc(C)c1C(=O)Nc1ccc2ncccc2c1
+,,,,,0.0,,,,,,,,,,,,CID938607,CC(C)Oc1ccc(C(=O)O)c(C(=O)O)c1
+,,,,,,,,,0.0,,,,,,,,CID2316232,CC(C)N1CC(=O)C(c2ccccc2)=C1N
+,,,,,,,,,,,,,,0.0,,,CID1272579,COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OC)C1c1cccs1
+,,0.0,0.0,,,,,0.0,,,0.0,,,,0.0,,CID897457,COCc1nnc(NC(=O)c2ccc(NC(C)=O)cc2)s1
+,0.0,,,,0.0,0.0,,,,,,,,0.0,,,CID5308858,Cc1cc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)no1
+,0.0,0.0,,0.0,0.0,,0.0,,,0.0,,,,,,,CID3238954,CCOc1ccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SC(C)C)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID2388824,CC(=O)CCc1ccc2oc(C(=O)O)c(C)c2c1
+,,0.0,,,,,,,,,,,,,,,CID3238672,CCOC(=O)c1sc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(CC)c3n2)nc1C
+,,,,,0.0,,,,,,,,,,,,CID2879704,Cc1cc(C=O)c(C)n1-c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,,,,,0.0,,,,CID2876706,OC(COCc1ccccc1)Cn1cnc2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID6619460,CCN1CCN(C(=O)c2ccc(CNS(=O)(=O)c3ccc(C)cc3)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2540077,COc1ccc(NC(=O)Cc2ccc(C)c(C)c2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID750100,COc1ccc(OC)c(NC(=O)c2ccc(OC3CSC3)cc2)c1
+,0.0,,,,,,,,,,,,,,,,CID5307463,Cn1c(C(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)cc2c(=O)n(C)c3ccccc3c21
+,,,,0.0,,0.0,,,,,,,,,,,CID2049187,CCCCOc1ccc(S(N)(=O)=O)cc1
+,,,,,,,,,,,0.0,,,,,,CID883217,CCOc1ccc(C(=O)NC(=S)Nc2ccccn2)cc1[N+](=O)[O-]
+,,,,,,,,,,,0.0,,,,,,CID769565,CCOC(=O)c1cnn2c(N)c(C#N)nnc12
+,,,,,,,,,0.0,,,,,,,,CID2938674,CC(C)C(=O)Nc1cccc(C(=O)N2CCCCC2C)c1
+,,0.0,0.0,0.0,,,0.0,,,,,,,,,,CID768895,COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1
+,,,,0.0,,,,,0.0,,0.0,,,,0.0,0.0,CID2392315,COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccnc1
+,,,,,0.0,,,,,,,,,,,,CID2900809,CC(C)CC1NC(=S)N(C2CCCCC2)C1=O
+0.0,,,0.0,0.0,,,,0.0,0.0,,,,,,0.0,0.0,CID652671,Cc1nc(NC(=O)CSc2nnc(C)n2CC2CCCO2)sc1C
+0.0,,,0.0,,,0.0,,,,0.0,0.0,,,,,,CID1547896,Cc1ccccc1NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1913144,CCCCN(CCCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1
+,,,0.0,,,0.0,,,,,,,,,,,CID648894,COc1cccc(CN(Cc2ccco2)C(c2ccc(F)cc2)c2nnnn2C(C)(C)C)c1
+,,,,0.0,,0.0,0.0,,,,,,,,0.0,0.0,CID646054,O=C(Nc1nncs1)C1c2ccccc2Oc2ccccc21
+,,,0.0,,,,,,,,,,,,,0.0,CID2540948,Cc1cnc(C(=O)OCC(=O)c2csc(N3CCCCC3)n2)cn1
+,,,,,0.0,,,,0.0,0.0,,,0.0,,0.0,,CID2540653,CC(=O)c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12
+,,,,,,,,,,,,,,,0.0,,CID2959283,CC(C)(C)NC(=O)C1CC(=O)OC1(C)C
+,,,,,,,,,,,,,0.0,0.0,,,CID1016752,O=C(NC(=S)Nc1nc(-c2cccc3ccccc23)cs1)c1cc2ccccc2o1
+,,,,,,0.0,,,,,,,,,0.0,,CID891632,O=C(CSc1ccccn1)N1CCN(c2ccccc2)CC1
+,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,,,CID3237575,CCOC(=O)c1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2c(C)n[nH]c2C)cc1
+,,,,,,0.0,,,,0.0,,,,0.0,,0.0,CID948774,CC(C)(C)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID2123608,COc1ccccc1OCCNC1=NCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID1242573,COc1ccc(N(C(=O)c2cccnc2)S(=O)(=O)c2cccs2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID2609912,COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)o1
+,,0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,CID1815814,CCCCNC(=O)CN(C1CCCCC1)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID749163,Cn1c(S(=O)(=O)Cc2ccc(Cl)cc2)nc2ccccc21
+,,,0.0,,,0.0,,,,,,0.0,,,,,CID651812,CN1C(=O)c2cccc(NCCCN3C(=O)c4ccccc4C3=O)c2C1=O
+0.0,,,,0.0,,0.0,,,,0.0,,,0.0,,0.0,,CID715335,Cc1ccc(C(=O)CSc2n[nH]c(-c3ccco3)n2)cc1C
+0.0,,,0.0,0.0,,,,0.0,1.0,0.0,,,,,,,CID2222525,CC(=O)c1sc2nc(SCC(=O)N3CCCCC3)[nH]c(=O)c2c1C
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID3240421,COCCNC(=O)Cn1cnc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2c1=O
+,,,,,,0.0,,,,,,,,,0.0,0.0,CID737752,Cc1[nH]c(=O)c(C#N)c(C)c1Br
+,0.0,,,,,,0.0,,,,,,,,,,CID658671,Cc1[nH]c2ccc3c(ncn3CCC#N)c2c1C
+,0.0,,,,,,,,,,,,,,,,CID891769,O=C(Nc1ccccc1C(=O)NCCN1CCOCC1)c1ccco1
+,,,,0.0,,,,0.0,,,,,,,0.0,,CID3239184,CC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc3nsnc23)c1
+,,,0.0,,,,,,,,0.0,,,,,,CID652104,CCNc1nc(NCC)nc(N(C)n2cnnc2)n1
+,,,,,,,0.0,,,,,,,,,,CID2971292,Cc1ccc(CN2CCN(C(=O)C3CCCO3)CC2)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID2548237,Cc1csc(SCC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
+,,,,,,,,,,,,,,0.0,,,CID3767612,CC1=NN(C(=O)COc2ccc(C)c(C)c2)C(O)(c2ccc(Cl)cc2)C1
+,,0.0,0.0,,,,,,,,,0.0,,,,,CID576560,Cc1nn2cc(-c3ccc(N)cc3)nc2s1
+,,,0.0,0.0,,,0.0,,0.0,,,0.0,,,,,CID294920,COC(=O)CNC(=O)C(C)NC(=O)OCc1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID652779,COc1ccc(CN(C(=O)c2ccco2)c2ccc(C)cc2)cc1OC
+,,0.0,,0.0,,,,,,,,0.0,0.0,,,,CID3235685,COc1cccc(-n2c(SCC(N)=O)nc3c([nH]c4ccccc43)c2=O)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID711915,Cc1ccccc1OCC(=O)Nc1cccc2nsnc12
+0.0,0.0,,,,,,,0.0,,,0.0,0.0,,,,,CID665591,O=C(CCc1nc(-c2ccccc2)no1)NCc1ccco1
+,,,0.0,0.0,,,0.0,,,0.0,,,,,,,CID3245405,CCN1CCCC1CNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O
+,,,,,,0.0,,,,,,,,,0.0,,CID5307960,COCCCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1
+,,,,,,,,0.0,,,,0.0,,,,,CID2999418,O=C(CC1OC(=O)c2ccccc21)Nc1ccccc1N1CCOCC1
+0.0,0.0,,0.0,,,0.0,,,,,,,,,,,CID651968,Cc1nc(NCC2CCCO2)c2nnn(Cc3ccccc3Cl)c2n1
+,,,0.0,,,,,,,,,0.0,,,,,CID663378,N#CCCSc1ncnc2c1oc1ccccc12
+,0.0,0.0,,,,0.0,,,,,0.0,,,,,,CID648822,CC(C)C(OC(=O)CN1C(=O)COc2ccccc21)C(=O)NC1CCCC1
+,,,,0.0,,,0.0,,,0.0,,0.0,,,,,CID661737,CCNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(OCC)cc2)S1
+,,,,,0.0,,,,,,0.0,,,,,,CID2890045,CC(C)(C)c1ccc(CNc2cc(N3CCOCC3)ccc2[N+](=O)[O-])cc1
+0.0,,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,CID2998903,COc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
+,0.0,0.0,0.0,,,0.0,,,,,,,,,,,CID2236730,CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1C
+,,,,,,,0.0,,,,,,,,0.0,,CID1811002,O=C(NCCOc1ccccc1)c1cc2ccccc2o1
+,,0.0,,,,,,,,,,,,,,0.0,CID662592,O=C1CC(c2ccccc2)CC(=O)C1=CNCCN1CCN(C(=O)Nc2ccccc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID1476365,Cc1nc(Cl)c(C#N)cc1-c1ccccc1
+,,,,,,0.0,0.0,,0.0,,,0.0,,,0.0,,CID2230978,COc1ccc(C(=O)/C=C\N2CCOCC2)cc1
+,0.0,,0.0,,,0.0,,,,,,0.0,,0.0,,0.0,CID652507,CCc1nc(N)c(C#N)c(-c2ccc(OC)c(OC)c2)c1C
+,0.0,,,,0.0,,,,,,0.0,0.0,,,,,CID2837057,O=C(Nc1cnc2ccccc2c1)c1ccncc1
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+,,0.0,,,,,,,,,,,,,,,CID987926,COc1ccccc1OCC(=O)N1CCN(c2ccccc2OC)CC1
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+,,,,0.0,,,,,,,0.0,,,,,,CID3236779,CCOC(=O)C1=C(C)N=C2SC(C)C(=O)N2C1c1ccc(OCC)c(OCC)c1
+,,,,,,,,,,,,0.0,,,,,CID5310702,COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccccc2)cc1Cl
+,0.0,,,,,,,0.0,0.0,,,0.0,,,0.0,0.0,CID2086939,Cc1csc(Cn2c(CN(C)C)nc3ccccc3c2=O)n1
+,,,,,,,,,,,,,,0.0,,,CID1088704,O=C(COC(=O)c1cccnc1)Nc1ccc2c(c1)OCO2
+,,,,,,0.0,,,0.0,,,0.0,,,0.0,0.0,CID3162357,CCOc1ccc(C2CC(=O)NC3=C2C(=O)CCC3)cc1
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+,,,,,,,,,,,0.0,,,,,0.0,CID738066,O=C(O)CCC(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
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+,,,,,,,,,0.0,,0.0,,,,,,CID81493,Cc1cccc(NCCNc2cccc(C)c2)c1
+,,,,,,,,,0.0,,,,,,,,CID3236835,CCn1cc(C(=O)N2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O
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+,,,,,,0.0,,,,,0.0,0.0,0.0,,,,CID3244062,CC(=O)Nc1nc(C)c(S(N)(=O)=O)s1
+0.0,,,,,,,0.0,,0.0,,,,,,,,CID5308157,Cc1ccc(Cn2ccc(NC(=O)c3cc(CC(C)C)on3)n2)cc1
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+,0.0,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,CID1245731,CN1CCC(NC(=O)c2cccs2)CC1
+,,,,,,,,,,,0.0,,,,,,CID1484507,COc1ccc(CNC(N)=O)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2464914,COc1cc(OC)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OC
+,0.0,,,,,0.0,,,,,,0.0,,,,,CID650599,C=C(C)CSc1nc(N)c2c(C)c(C)sc2n1
+,,,,,,,,,,,0.0,,,,,,CID3105059,C=CCNC(=O)CC(=O)N/N=C/c1ccc(C(=O)OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2913649,Cc1cc(C)nc(SC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)n1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,,,CID2832780,COc1ccc(CC2CCOC2=O)cc1
+,,,0.0,,,,,,,,,,,,,,CID3237507,CCOc1cc2[nH]c(=O)n(CCCN3CCCC3=O)c(=O)c2cc1OCC
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID1090938,Cc1cc(C)nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)n1
+,,,,,,,,,,,,,0.0,,,,CID2778360,Cc1cc(NC(=O)CCl)on1
+0.0,,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,CID654495,COc1cccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2ccoc2C)c1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID1028458,COc1ccc(-c2nnc(SC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID2928438,CCC(C)SCc1nc2ccccc2[nH]1
+0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,CID648846,COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1
+,,,,,0.0,,,,,0.0,,0.0,0.0,,,,CID666738,O=C(CC1OC(=O)c2ccccc21)c1ccco1
+,,,,0.0,,0.0,,0.0,,0.0,,,,0.0,,,CID1255479,CSc1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C
+,,0.0,,,,,,,,,,,,,,,CID3240343,CCCS(=O)(=O)NCCc1cc2c(OC)ccc(OC)c2[nH]c1=O
+,,,,,,,,,,,,,,0.0,,,CID783463,O=C(c1cc2ccc([N+](=O)[O-])cc2oc1=O)N1CCOCC1
+,,,0.0,,,,,,,0.0,,,,,0.0,,CID2310181,CCOC(=O)c1cnn(-c2sc(C(=O)OCC)c(C)c2C(=O)OCC)c1N
+,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,0.0,,CID666154,Cc1ccc(-n2nc(C)c3c(-c4cccs4)c(C#N)c(N)nc32)cc1
+,,,,0.0,,,,0.0,0.0,,,,0.0,,,,CID647819,CCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
+,,,,0.0,0.0,,,,,,,,,,,,CID3237588,Cc1nc2ccc(S(=O)(=O)NC(CC(C)C)C(=O)O)cc2s1
+,,,0.0,,,,0.0,,0.0,0.0,,0.0,,0.0,,,CID1245313,O=C(Nc1ccc2c(c1)OCCO2)C1CCC1
+,,,,,,,,,,,,,0.0,,,,CID2082289,Cc1cccc(C(=O)NC(C(=O)Nc2nc(C)cs2)C(C)C)c1
+,,,,0.0,,,,,0.0,,,,,,,,CID3244554,CCOC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)SC(C)C(=O)N3)CC1
+,,,,,,,,0.0,,0.0,0.0,,,0.0,,,CID867540,CCn1c(CNc2ccc(C(=O)O)cc2)nc2ccccc21
+,0.0,,,0.0,,0.0,0.0,,,0.0,,0.0,,,,,CID891782,COc1ccc(C(=O)NCC(=O)NC2=NCCS2)cc1
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID651766,CCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1cccs1
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID3240670,COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1
+,,,,,,0.0,,0.0,,,0.0,,,0.0,0.0,0.0,CID279869,O=C(Nc1ccc(Br)cc1)c1cnccn1
+,0.0,0.0,0.0,0.0,,0.0,,,0.0,,,0.0,,,,0.0,CID1247116,CSc1ccccc1NC(=O)c1c(C)noc1C
+,0.0,,0.0,0.0,,,,,,,,,,,,0.0,CID654936,Cc1ccc(NC(=O)CSc2nnc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)n2C)cc1
+,,,,,,,,,0.0,0.0,,,,,,,CID1077805,COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c(OC)c1
+,,,,,0.0,,,0.0,,,,0.0,,,,0.0,CID654451,CC(C)n1cc(C(=O)N(CC(=O)NC2CCCC2)Cc2ccccc2)cn1
+,,,,,,,,,,,,,0.0,,,,CID2873843,COc1nc(N/N=C/c2ccccc2F)nc(N2CCCCC2)n1
+,,0.0,0.0,,,,,,,,,,,0.0,,,CID3245686,CCOC(=O)c1[nH]c(C)c(C(=O)NCCCN2CCOCC2)c1C
+,,,0.0,,,0.0,,,,,0.0,0.0,,,0.0,,CID663767,CCOC(=O)CC1=CC(=O)Nc2ccccc2N1
+,,,,,,,,,,,,,0.0,,,,CID1732986,Cc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)c(C)c1
+,,,,,,0.0,,,,,0.0,0.0,,,,,CID662413,Cc1ccc(/C=N/n2nnnc2N)o1
+,,,,,,,,,,,,,,0.0,,,CID1157609,CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)NCc1ccco1
+,,,,,,,,,0.0,,,,,0.0,,,CID2238601,CS(=O)(=O)N(CC(=O)NC1CCCCCC1)Cc1ccc(Cl)cc1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID2946284,O=C(c1ccco1)N(Cc1cccs1)C1CCS(=O)(=O)C1
+,,,,,,,,,,,0.0,,,,,,CID1819893,COCCNC(=O)c1cc2cc(Br)cc(OC)c2oc1=O
+,,,,,,,,,,,,,0.0,,,,CID901317,Cn1c(O)c(Oc2ccc(Cl)cc2)c(=O)c2ccccc21
+,0.0,,0.0,,,,,,,,,,,,,,CID3238847,O=C(CCN1C(=O)COc2ccccc21)NCc1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID2113197,COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1OC
+,,,,,0.0,,,,,,0.0,,,,,,CID3322577,Cc1ccc(C)n1-c1sc2c(c1C#N)CCC(C)C2
+,,,,,,,,,,,,,0.0,0.0,,,CID2108892,Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1C
+,,,,,0.0,,,,,,,,,,,,CID4027062,N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1
+,,,,,,,0.0,,,,,,,,,,CID783893,COc1cc(CNc2ccc3c(c2)CCC3)cc(OC)c1O
+,,,,,0.0,,,,,,0.0,,,,,,CID697197,c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID730575,COC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID903610,Cc1nn(Cc2ccc(C(=O)n3cccn3)o2)c(C)c1Br
+,,,,,,,,,,,,,,0.0,,,CID2346574,CCOc1ncccc1C(=O)OCC(=O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID9551383,CCOc1ccc(CCNC(=O)C2CCN(c3nnc(-n4cccc4)s3)CC2)cc1
+,0.0,,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,CID646671,O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccncc1
+,,,,,,,,,0.0,0.0,,,,,,,CID2417657,Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C
+,,,,,,,,0.0,,,,,,,,,CID2941359,COc1ccc2sc(N3C(=O)C4CC=C(C)CC4C3=O)nc2c1
+,,0.0,0.0,0.0,,,,,,0.0,,,,,,,CID2999117,O=C(COC(=O)Cc1cn2ccsc2n1)NCc1ccc2c(c1)OCO2
+0.0,0.0,,0.0,,0.0,0.0,0.0,,,,,,,0.0,,,CID845251,Cc1ccc(C)c(OCc2nc(-c3cccnc3)no2)c1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,,CID5308116,COc1ccc(N2C(=O)C3CCCN3C2c2ccccc2Cl)cc1
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID3243840,O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccc(F)c(F)c1
+,,0.0,,,0.0,,,,,,,,,,,,CID2092056,Cc1cc(C(=O)OCC(=O)N2CCOCC2)c2ccccc2n1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308693,CNC(=O)CN1C(=O)CSc2nc(C)cc(C)c21
+,,,,,,,,,,,0.0,,,,,,CID1621571,CCCCCCOC(=O)CCc1c(C)[nH]c(N)nc1=O
+,,,,,,,,,,,,0.0,,,,,CID654913,CC(C)(C)NC(=O)C(OC(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccncc1
+,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,,CID3237274,CCS(=O)(=O)N1CCC(C(=O)NCc2cccc(OC)c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID2917647,O=C(C1=C(O)C(=O)N(c2ncccn2)C1c1ccc(Cl)cc1)c1ccco1
+,0.0,,,,,,,,,,,0.0,,,,,CID1315748,COC(=O)c1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3707816,CC(=O)NS(=O)(=O)c1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1
+,,,,0.0,0.0,,,,,,,,,,,,CID3242742,O=C(CCNS(=O)(=O)c1cccs1)NCc1ccco1
+0.0,,,,,,,,,,,,,,,0.0,,CID654291,CC(O)CNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1
+,,,,,,,,,0.0,,,,,,,,CID971616,CCc1c(C)nc(N)nc1N1N=C1SC
+,,,,,,,,,,0.0,,,,,,,CID9550333,COC1=C/C(=C/NNc2nc(N3CCCC3)nc(N3CCCC3)n2)C=CC1=O
+,,,,,,,,,,,,,0.0,,,,CID12005770,O=C(C1=NNC2C(=O)N(c3ccccc3C(F)(F)F)C(=O)C12)C(c1ccccc1)c1ccccc1
+,,0.0,,0.0,,,0.0,,,,,,,,,,CID3241581,CC(=O)Nc1cccc(NC(=O)CCn2c(=O)sc3ccccc32)c1
+,0.0,0.0,,,,0.0,,,,,,,,,,,CID617281,CC(=O)c1cc2c(=O)c3ccccc3oc2nc1C
+0.0,,,,,0.0,0.0,,,,,0.0,0.0,,,0.0,,CID2672846,CN(C)S(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1
+,,,,,,,,,,0.0,,,,,,,CID9550300,CCCCN(C)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
+,,,0.0,,,0.0,,,0.0,,,0.0,,0.0,,,CID1817890,CCCCn1nnnc1NCc1cccs1
+,,,,0.0,,,,,,,,0.0,,,,,CID2947616,Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2ccc(O)cc2)cc1
+,,,0.0,,,0.0,,,,,0.0,0.0,0.0,,,,CID663645,CC(C)OCCCn1c(-c2ccco2)nc2nc3ccccc3nc21
+,,,,,,,,,,0.0,,,,,,,CID730811,Cc1ccc2[nH]c(-c3ccccc3)c(CN(C)C)c(=O)c2c1
+,,,,,,,,,0.0,,,,,,,,CID2946384,Cc1cc(C(F)F)n2nc(C(=O)Nc3sc4c(c3C#N)CCC(C)C4)nc2n1
+0.0,0.0,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,0.0,,CID2998079,COc1cccc(Nc2nnc(SCC(=O)N3CC(C)OC(C)C3)s2)c1
+,,,,,,,,,,,,,0.0,,,,CID1475389,CCOC(=O)CN1N=C(/C=C/c2ccc(OC)cc2)CCC1=O
+,,,,,0.0,,,,,,,,,,,,CID2879379,Cc1ccc2nc(N/N=C/c3ccccc3C#N)nc(-c3ccccc3)c2c1
+,,,,,,0.0,,0.0,,0.0,,,,,,0.0,CID3241175,O=C(OCC#CCSc1nnc(-c2ccc(Br)cc2)o1)c1ccco1
+,,,,,,,,0.0,,,,,,,,,CID666089,CCC(=O)c1ccc(C(C)CCC(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID1391106,CCOc1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)ccc1O
+,,,,,,,,,,,,,,0.0,,,CID3211760,O=C(NCC(=O)N(CC1CCCO1)C(C(=O)NC1CCCCC1)c1ccccc1)c1ccco1
+,,,,,,,,,0.0,,,,,,,,CID2928985,Cc1ccc(NC(=O)C2CC(=O)OC23CCOC(C)(C)C3)cc1
+,,,,,,,,,,,,,,0.0,,,CID2327876,CN(C)/N=C/C=C1\CC/C(=C\c2ccc(Br)cc2)C1=O
+0.0,0.0,,0.0,0.0,0.0,,0.0,0.0,0.0,0.0,,,,,0.0,,CID1093437,Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccccc3)ccc21
+,,,,,,,,,,,,0.0,,,,,CID5769116,C/C(Cl)=C\Cn1c(N2CCCCCC2)nc2c1c(=O)n(C)c(=O)n2C
+,,,,,,,,0.0,0.0,,0.0,,,0.0,,,CID3224511,CCOc1cccc(NC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2371646,CSc1ccccc1NC(=O)COC(=O)c1ccc(O)cc1
+,,,,,,,,0.0,,,,,,,,,CID3239038,Cc1cc(N2C(=O)c3ccc(C(=O)NCc4ccccc4)cc3C2=O)no1
+,,,,0.0,,0.0,,,,,,0.0,,,,,CID648065,O=S(=O)(NCCc1ccccc1)c1cccc(S(=O)(=O)N2CCOCC2)c1
+0.0,,,0.0,,,0.0,0.0,,,,,,,,,,CID3429051,CC(C)N1C(=O)CCC1C(=O)N1CCC(Cc2ccccc2)CC1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1478783,Cc1nc(-c2ccccc2)sc1-c1n[nH]c(=S)n1C
+,,,,,,,,,,,,,,0.0,,,CID16188501,COc1cccc(CC2(CO)CCCN(C(=O)c3cc[n+]([O-])cc3)C2)c1
+,,,,,,,,,,,,,,0.0,,,CID2116133,COc1cccc(COc2ncnc3sccc23)c1
+0.0,0.0,,0.0,0.0,0.0,,,0.0,,,0.0,0.0,,,,0.0,CID990808,COCc1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1ccccc1
+,,,0.0,0.0,,,,,,,,0.0,,,,,CID647797,CC(C)(C)C(=O)CNS(=O)(=O)c1ccc(S(=O)(=O)NC2CCCC2)cc1
+,,,0.0,,,,,,,,,0.0,,,,,CID5308513,CCOC(=O)CCc1c(C)nc2c(c(C)nn2C(C)(C)C)c1C
+,,,,,,,,,,0.0,,,,,,,CID5157276,Oc1c(C(c2ccco2)N2CCC3(CC2)OCCO3)sc2ncnn12
+0.0,,,,,,,,,,,,,,,1.0,,CID3139811,CCOc1cc(C2C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)ccc1O
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID2997522,O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(c2ccccc2)CC1
+,,,,,0.0,,0.0,,,,,,,,,,CID3930754,O=C1CC(c2ccccc2)CN1S(=O)(=O)c1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID5309943,CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2=O
+,,,,,,0.0,,,,,,,,,,,CID789224,CCOC(=O)C1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1
+,,,,,,,,0.0,,,,,,,,,CID3117762,COCCNC(=O)C(=O)N/N=C/c1ccccc1C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID4005216,O=C(CC12CC3CC(CC(Br)(C3)C1)C2)OCCN1CCCCC1
+,0.0,,,,,0.0,,,0.0,,,,,,,0.0,CID657843,Cn1c(O)c(C(=O)c2ccccc2Cl)c(=O)n(C)c1=O
+,,,,,0.0,,,,,,,,,,,,CID1488852,CSc1ncc2c(n1)-c1cc(C)ccc1SC2
+,,,,,,,,,,,,,,0.0,,,CID2772687,O=C(Cn1cnc2ccccc21)c1ccc(Br)cc1
+,0.0,,,,,,,,,,0.0,,,,0.0,,CID2947183,O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1C1CCCCC1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID657451,O=C(Nc1ccccc1)OCCNC(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID4377259,CNC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cccc(OC)c1
+0.0,,,,,,,,,,,,,,,0.0,,CID2199714,Cc1cc(Cl)c(OCCCn2cncn2)c(Br)c1
+,,,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,CID2318659,O=C(Cc1ccccc1)Nn1cnc2ccccc21
+,,,,,,,,,,,0.0,,,0.0,,,CID2270709,CC1CCN(CCCCOc2ccc([N+](=O)[O-])cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID730812,CCN(CC)Cc1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID837290,CC(=O)c1cc2c(cc1NC(=O)CCC1CCCC1)OCO2
+,,,,,,,,,,,,,,0.0,,,CID16190497,O=C(c1ccccc1-n1cccn1)N1CCc2c([nH]c3ccccc23)C1c1ccccn1
+0.0,,0.0,,,,,,,,,0.0,,,,0.0,0.0,CID3239523,Cc1cc2ccccc2c(=O)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1
+0.0,,,,,,,,,,,,,,,,,CID2965530,O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(C(=O)C2CCCO2)CC1
+,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,,0.0,CID3000093,OC1(c2ccccc2)C/C(=N/n2cnnc2)C=C1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1364364,CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID655811,COc1ccc(CSc2nc(N3CCOCC3)c3c(c2C#N)CC(C)(C)OC3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2117533,CC(C)(C)Cc1cc(N)on1
+,,,,0.0,,,,,,,,,0.0,,,0.0,CID1379557,O=C(CSc1nc(O)c(Cc2ccccc2)c(=O)[nH]1)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID903277,CCOc1ccccc1NC(=O)c1c(Br)cnn1C
+0.0,,,0.0,0.0,,,,,,0.0,,,,0.0,,,CID651057,Cc1nnc(SCC(=O)N2c3ccccc3CC2C)s1
+,,,,,,,,0.0,,,,,0.0,,,,CID846637,CS(=O)(=O)N(CC(N)=O)c1cccc(Br)c1
+,,,,,,,,,0.0,,,,,,,,CID1079997,Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1C#N
+,,,,,,,,,,0.0,,,,,,,CID779866,O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID2937299,Cc1cc(=O)nc2n(C3CCOC(C)(C)C3)[nH]c(C)c1-2
+,,,,,,,0.0,0.0,,,0.0,,,,,,CID743385,COC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID1086494,CCOC(=O)CCSc1nc(C(C)(C)C)cc(C(F)(F)F)c1C#N
+,,,,,0.0,,,,,,,,,,,,CID9551214,COc1ccc(-n2c(=S)[nH]c3cc(C(=O)NCCCN4CCCC4=O)ccc3c2=O)cc1OC
+,,,,,,,,,,0.0,,0.0,,,,,CID1258161,Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1
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+,0.0,,,,,,0.0,,,,,,,,,,CID5407913,COC1=CC(=O)/C(=C2\NNC(C)=C2c2cnn(-c3ccccc3)c2)C=C1
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+,0.0,,0.0,,,0.0,,,,,0.0,,,0.0,,,CID658241,CCN(CC)C(=O)CN(C#N)c1nc(NC(C)C)nc(NC(C)C)n1
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+,,0.0,0.0,,,0.0,,,,,0.0,0.0,,,,,CID651577,Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3cccnn23)c1
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+,,,,,,,,,0.0,,,,,,,,CID597279,CCOC(=O)c1c(N)sc(C(C)=O)c1C
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+,0.0,,0.0,0.0,0.0,,,,,,,,,,,,CID1562008,CCCCSc1nc(=O)c2c([nH]1)CCC2
+,,,0.0,,0.0,,0.0,,,,,,,,0.0,0.0,CID2997632,O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)NCCCN1CCCC1=O
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID1253803,CN(Cc1nc(-c2cccnc2)no1)S(=O)(=O)c1ccc(Br)cc1
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+,,0.0,0.0,,,,0.0,,,,,,,,,,CID5771510,COc1ccc(C(=O)/C(C#N)=C2\Nc3ccccc3N2C)cc1OC
+,0.0,,0.0,,,,,,,,,0.0,,,,,CID3238864,CCS(=O)(=O)N1CCCC(C(=O)NC2CCCCC2C)C1
+,,,,,,,,,,,,0.0,,,0.0,,CID4287474,CC(=O)NCCn1c(C)cc2ccccc21
+0.0,0.0,0.0,,,,,,,,0.0,,,,,,0.0,CID657878,C=CCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID1625604,Cc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccncc4)o3)n2)cc1
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+,,,,,,,,,,,,1.0,,,,,CID3242160,COc1ccc2c(c1)CCc1c(C(=O)NCCN3CCOCC3)noc1-2
+,,0.0,,,,0.0,,,,,,,,,,,CID2196311,CCO/C=N/c1c(C#N)c2c(c(=S)n1C)COC(C)(C)C2
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+,,,,,,,,,,0.0,0.0,,,0.0,,,CID2562985,Cc1nc(SCC(=O)NCCc2ccccc2)nc(C)c1C
+,,,,,,,,,,0.0,,,,,,,CID3166556,CCOc1ccc2c(c1)=C(c1ccc(C)cc1)NN=C(c1ccc(C)cc1)N=2
+,,0.0,,0.0,0.0,,,,,,,,,,,0.0,CID2871846,CCCC(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2237279,Cc1ccc(NC(=O)NCCCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1341717,COc1ccc(N(C(=O)COc2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1
+,0.0,,,,,,,0.0,,,0.0,,,,,,CID757003,CCc1cc(C(=O)OC)c(NC(=O)CCC(=O)O)s1
+0.0,0.0,,,0.0,,,,,,,0.0,,,,,0.0,CID3242491,O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCCCCC1
+,,,,,,,0.0,,,,,,,,,,CID5310184,O=S(=O)(NCC(c1cccnc1)N1CCN(Cc2ccccc2)CC1)c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,,CID6398932,CCOc1cccc(/C(O)=C2/C(=O)C(=O)N(Cc3ccco3)C2c2ccncc2)c1
+,0.0,0.0,,,0.0,,,,,,,,,,,,CID645784,Cc1cc(C)n(CC(O)COCc2ccco2)n1
+0.0,,,,0.0,0.0,,,0.0,,,0.0,,,,,0.0,CID649257,CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)c1ccccc1C
+0.0,,,,0.0,,,,,0.0,,,,,0.0,,,CID649743,COC(=O)c1ccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID1487964,Cc1ccc(Oc2nc(-c3ccccc3)ncc2S(C)(=O)=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID4246039,Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cccs2)c(C)c1
+,,,,,,,,0.0,,0.0,,,,,0.0,,CID3245925,CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCc3ccco3)c21
+,,,,,,,,,,,,,0.0,,,,CID587190,O=C(c1ccc(Cl)cc1)N1CCSCC1
+,,,0.0,,,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,CID2238887,CCOc1ccc(S(=O)(=O)n2nnc3ccccc32)cc1C(C)C
+,,0.0,,,0.0,,,,,,,0.0,0.0,,0.0,0.0,CID655304,COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2CC2CCCO2)cc1
+,,,,,0.0,,,,,0.0,,,,0.0,,,CID2790630,Cc1ccc(OCCCC(=O)NC(C)c2ccccc2)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,0.0,,,,0.0,CID5308437,CC1CCCCC1NC(=O)Cn1ncc2ccccc21
+,0.0,,,,,,,,,,,,,,,,CID2572814,CCc1ccccc1Nc1nc(N)nc(COC(=O)c2cccn2C)n1
+0.0,,0.0,,,,,,,0.0,,,0.0,,,,,CID977639,Cc1cc(=O)cc(C)n1-c1ccccc1N1CCOCC1
+,0.0,,,,,,,,,,,0.0,,,,,CID3245262,Cn1c(=O)cc(SCC(=O)NCC2CCCO2)c2ccccc21
+,,,0.0,,,,0.0,,,,,0.0,,,,,CID779426,CC(=O)N(C(C)=O)c1c(N2CCOCC2)c2ccccc2oc1=O
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID829070,Cc1ccc(CN2CCN(/N=C/c3ccco3)CC2)c(C)c1
+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2089905,O=C(COc1cccc2cccnc12)NCC(F)(F)F
+0.0,,0.0,,,,0.0,,,,,,0.0,0.0,0.0,,0.0,CID652109,Cc1cc(NC(=O)c2ccc(Cl)cc2)no1
+0.0,0.0,0.0,,,0.0,0.0,,,,,,,,,,,CID744264,Cn1c(SCc2nc3ccccc3n2CCO)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID1476981,COc1ccc(-c2nc3ccccc3n2OCC(=O)O)cc1
+0.0,,0.0,0.0,0.0,,,,,0.0,,,0.0,,0.0,,,CID1289729,O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc2c(c1)OCCO2
+,,,,,,,,,,,,,0.0,0.0,,,CID1332104,O=C(Cc1cccs1)NCc1cccc(CNC(=O)Cc2cccs2)c1
+0.0,,,,,,0.0,,,0.0,,,0.0,,,,0.0,CID655698,Cc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NCc2ccco2)c2ccc(C)o2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1811200,CC(C)c1ccccc1OCCNC(=O)c1cncc(Br)c1
+,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,0.0,CID3238882,Cc1n[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2nccs2)C1
+,,,,,,,,0.0,,,,,,,,,CID1313964,COc1ccccc1OCC(=O)Nc1cccc(C(=O)N2CCOCC2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID987612,CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1
+,,,,,,,,,,,,,,,0.0,,CID650693,Cc1ccc(-n2nc(C)c3c2OC(N)=C(C#N)C3c2cccs2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2952398,COc1ccc(OC(C)C(=O)N2CCC(C)CC2)cc1
+,,0.0,0.0,,,,0.0,,,,,,,,,,CID5307250,O=C(c1cc(C2CC2)on1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,,,,0.0,0.0,,,,,,,,CID2342355,O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccco1
+,,,,,,,,0.0,,,,,,,0.0,,CID3235684,CCn1c(=O)n(CC(=O)NCc2ccco2)c(=O)c2ccccc21
+,,0.0,,,,,,,,,,,,,,,CID648529,CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)N(CC)CC
+,,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID2232218,COc1ccc(-c2noc(CSc3nc(=O)c(-c4ccccc4)c(N)[nH]3)n2)cc1OC
+,0.0,,,0.0,,,,0.0,,,,,,,,,CID3843686,Cc1cccc(-n2ncc3c(NCCCn4ccnc4)ncnc32)c1
+,,,,,,,,,,0.0,0.0,,0.0,,,,CID9550405,CN1CCN(C(=O)CCNC(=O)Cn2ccc3ccccc3c2=O)CC1
+,,,,,,,,0.0,,,,,,,,0.0,CID781446,O=C(O)c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3
+,,,,,0.0,,,,,,,,,,,,CID3249852,CCC(C)(C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1
+0.0,,,0.0,0.0,,,,,,,,,0.0,,0.0,,CID2129439,Cc1cc(C(=O)COc2cccc3cccnc23)c(C)n1C
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID2102760,CCn1cc(C(=O)/N=c2\sc3ccccc3n2C)c(=O)c2ccc(C)nc21
+,,0.0,,,,,,,,,,,,,,,CID3238990,O=C(Cn1ncn2cccc2c1=O)N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID977537,CCC(=O)Nc1nnc(-c2cccs2)s1
+,,0.0,,,,,,,0.0,,0.0,,,,0.0,,CID2998651,O=C(COc1ccc(OCc2ccccc2)cc1)NC1CCOC1=O
+,,,,,,,,,,,,,0.0,,,,CID674392,COc1cccc(C(=O)NNC(=S)NC2CCCCC2)c1
+,,,,,,,,0.0,,,,,,,,,CID1073930,COc1ccc(CCNC(=O)CSc2nc(O)c(C(C)C)c(=O)[nH]2)cc1OC
+,,,,,,,,,0.0,0.0,,,,,,,CID5309916,CCOC(=O)C1CCCN(c2c(N3CCN(c4ccccn4)CC3)c(=O)c2=O)C1
+,,,,,,,,,,,,,,0.0,,,CID2914927,CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)CSc2ccccc2)c1
+0.0,,0.0,,,,,,,,,,,,,,,CID1250551,O=C1c2ccccc2C(=O)N1CCN1CCN(c2nc(-c3ccccc3)cs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2435792,CCCCNC(=O)COC(=O)c1cc(C)oc1C
+,,,,,,,0.0,,,,,,,,,,CID81342,O=C(O)c1nc2ccccc2nc1C(=O)O
+,,,,0.0,,,,0.0,0.0,,,,,,0.0,0.0,CID3240257,Cc1cc(NC(=O)CSc2nc3ccsc3c(=O)n2NC(=O)c2ccccc2)no1
+,,,0.0,,0.0,,,0.0,,0.0,,,,,,,CID648931,CCOC(=O)CC(=O)CSc1ncnc2c1cnn2-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2435762,C=CCNC(=O)COC(=O)COc1ccc(Cl)cc1C
+,,,,,,,,,,,0.0,,,0.0,0.0,,CID650168,O=C(NC1CCCCC1)C(c1ccccc1F)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21
+0.0,,,,0.0,,,,,,,,,0.0,,,,CID3238033,c1ccc(-c2nc(Sc3ncnc4c3cnn4-c3ccccc3)n[nH]2)cc1
+,,0.0,,,,,0.0,,,,,,,,,0.0,CID657474,COC(=O)C1C2CCC(C(=O)Nc3ccccc3)(CC2)C1C(=O)OC
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID1253064,COc1ccccc1-n1nnnc1SCc1cc2c(cc1Br)OCO2
+,,,,,,,,,0.0,,,,0.0,,,,CID1741678,COc1ccc2cc(C(=O)NCCO)sc(=O)c2c1OC
+,,,0.0,,,,,,0.0,,0.0,,,0.0,,,CID5309780,CC12C(=O)N(c3ccccn3)C(=O)C1C1C=CC2C1
+0.0,,,,,,,,,,,,,,,,,CID5309740,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc(F)cc2)cc1
+,,,,,,,,,,,,,,0.0,,,CID819822,COC(=O)c1ccc(/C=N/NC(=O)CC(=O)NC2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1028060,COc1ccc(/C=N/NC(=O)c2ccccc2O)cc1Cn1cc(Cl)cn1
+,,,,,0.0,,,,,,,,,,,,CID2953751,O=C(N1CCOCC1)C12CC3CC(C1)CC(c1ccccc1)(C3)C2
+,,,,,0.0,,,,,,,,,,,,CID3739004,CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1[N+](=O)[O-]
+,,,,,,,0.0,,,,,,,,,,CID3544833,CC(C)Cn1c(CN(C)Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
+0.0,,,,,,,,,0.0,0.0,0.0,,,,,,CID635573,Cc1c(-n2c(CN3C(=O)c4ccccc4C3=O)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,,,,0.0,,,0.0,,0.0,,CID649347,CC(=O)c1ccc2c3c(cccc13)C(=O)N(c1c(C)nn(C)c1C)C2=O
+,,,0.0,,,,,,,,,,,,,0.0,CID763006,O=C(Nc1cnc2ccccn2c1=O)c1ccc(F)cc1
+,,,0.0,,,0.0,,0.0,0.0,0.0,,0.0,,,0.0,0.0,CID655650,O=C(Oc1ccc(Cl)c2cccnc12)N1CCCCC1
+0.0,,0.0,0.0,0.0,,0.0,,,,,,0.0,,,,,CID1869428,Cc1cc(=O)oc2cc(OCC(=O)NCCCN3CCOCC3)ccc12
+,,,,,,,,,,0.0,,,,,,,CID972563,O=C(COc1ccc(Br)cc1CO)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1440862,CC(C)N(C(=O)Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2ccccc21)C(C)C
+,,,,,,,,,,0.0,,,,0.0,,,CID663821,OCCN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1
+,,,,,0.0,,,,,,,,,,,,CID820340,Cc1ccc(NC(=O)c2cc(Cl)nc3ccccc23)cc1
+,0.0,,,,,,,0.0,,,0.0,,,,,0.0,CID651583,CCOCCCNC(=O)C1CCN(C(=O)Nc2ccc(C)cc2)CC1
+,,,,,,,,,0.0,,,,,,,,CID5310309,COc1ccc(-c2cn3c(C)c(C(=O)N4CCCc5ccccc54)sc3n2)cc1
+,,,,,,,,,,,,,,0.0,,,CID706615,O=c1c2ccccc2cnn1Cc1cccc(Br)c1
+,,,,,0.0,,,,,,,,,,,,CID786881,Cc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)o1
+0.0,,,,,,0.0,,,,0.0,,,,,,,CID645452,O=C(Nc1ccc2nc(-c3ccccc3)oc2c1)c1ccco1
+,,,,,,,,,,,0.0,,,,,,CID5189559,CCCC(O)(c1ccc(OC)cc1)C(CN(C)C)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2251456,CCOC(=O)C1=C(Nc2cccc3ccccc23)S/C(=C\c2ccccc2)C1=O
+,,,,,,,,0.0,,,,,,,0.0,,CID689404,C(=N/c1nccs1)\c1cccnc1
+0.0,,,,,,0.0,,,,,,,,,,,CID1540494,CCOC(=O)NC1(NC2CCCCC2)Oc2ccccc2O1
+,,,,0.0,,,,,,,,0.0,,,0.0,0.0,CID1505218,Cc1c(NC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)c(=O)n(-c2ccccc2)n1C
+,,,,,,,,,,,,,0.0,,,,CID1606272,CCOCc1cnc(C)nc1NCC(=O)c1c(C)[nH]c2cc(C)ccc12
+0.0,,,,,0.0,0.0,,,,,,0.0,,,,,CID596209,CN(C)Cc1cc(CCNC(=O)c2ccc(Cl)cc2)ccc1O
+,,,,,,,,,,,,,,0.0,,,CID1479159,N#Cc1cc(-c2ccc(Cl)cc2)cnc1Sc1ccc(F)cc1
+,0.0,,0.0,0.0,,,,,,,0.0,,,,,,CID1213078,CCOc1ccc2[nH]c(O)c(NC(C)=O)c2c1
+,,,,,0.0,,,,,,,,,,,,CID1361941,COc1cc(/C=C2\SC(=S)N(C)C2=O)ccc1OC(=O)c1cccc(C)c1
+,,,,,,,,,,,,,,,,0.0,CID2965076,COC(=O)NC1(C(F)(F)F)C(=O)NC(C)=C1C(=O)OC
+,,,,0.0,,,0.0,,,,,,,,,,CID3237476,CC(C(=O)NCC1CCCO1)n1cccc1C(=O)c1ccccc1
+,,0.0,,,,,,,0.0,,0.0,,,0.0,,,CID2983124,O=C1CC(c2ccc3c(c2)OCO3)c2cc3c(cc2N1)OCCO3
+,0.0,,,,,,,0.0,,,0.0,,,,,0.0,CID828706,Cn1cnc2cc(NC(=O)c3ccco3)ccc21
+0.0,0.0,,,,,,0.0,,,,,,,,,,CID2859028,COc1ccc(N2C(=O)CC(N3CCN(c4ccccc4F)CC3)C2=O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID1440651,Cc1ccc(S(=O)(=O)CCc2nnc(NC(=O)COc3cccc(C)c3)s2)cc1
+,,,,,,0.0,,,,,,,,,,,CID3240822,COC(=O)N1CC(=O)N(OC)C1c1ccc(Cl)cc1Cl
+,,,,,,,,,0.0,,,0.0,,,0.0,,CID5595,CN1C2CCC1CC(OC(=O)c1c[nH]c3ccccc13)C2
+,,,,,,,0.0,0.0,0.0,,,,,,,,CID2872524,CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C)o2)C2=C(CCCC2=O)N1
+,,,,,,,,,,,,,0.0,,,,CID983222,CCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n(CC)c2ccccc2c1=O
+,,,,,,,,0.0,,,,,,,,0.0,CID2166003,O=C(Nc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID804731,COc1ccc(C(=S)N2CCN(C)CC2)cc1Br
+,0.0,,,,,,,,,,,,,,,,CID5389586,CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)C1c1cccc(OC)c1
+0.0,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID973638,CCn1cc(Br)c(C(=O)Nc2cccc(SC)c2)n1
+,,,0.0,,,,,,,,,,,,,,CID650131,COC(=O)CCn1nnc(-c2cccs2)n1
+,,,,,,,,,,,,,0.0,,,,CID2113979,Cc1nc2ccc(Cl)cc2c(-c2ccccc2)c1CC(=O)O
+,,,,,,,,,,,,,0.0,,,,CID1604538,CCCN1C(=O)/C(=C/c2cn[nH]c2-c2ccccc2)SC1=S
+,,,,,,,,,,,0.0,,,,,,CID1399593,Cc1nc(S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)O)n[nH]1
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID551831,CCN(CC)S(=O)(=O)c1cccc2nsnc12
+,,,,,,,,,,,0.0,,,,,,CID660920,Cc1cc(N(C)C)c(C#N)c(=O)[nH]1
+0.0,,,,,,0.0,,0.0,,,,,,,,0.0,CID2550784,O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(Br)o1
+,,,,,,0.0,,,,,,,,,,,CID5310419,COc1ccc(-c2cn3c(C)c(C(=O)N4CCc5ccccc5C4)sc3n2)cc1
+0.0,0.0,0.0,,,,,,0.0,,,0.0,,,,0.0,0.0,CID1316213,CC(C)(C)NC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c1
+,0.0,,,,,,,,,0.0,,,,,,,CID3241660,Cc1ccc(-c2ccc(=O)n(CCC(=O)NCc3ccccn3)n2)cc1
+,,,,,,,,,,,,,0.0,,,,CID6470155,COc1cccc(NC(=O)NCCC2=CCCCC2)c1
+,0.0,,0.0,,,,,,,,,,,,0.0,,CID5307164,CCc1ccc(NC(=O)c2cc(CC(C)C)on2)cc1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID2998881,O=C(NC(Cc1ccccc1)C(=O)OCC(=O)N1CCc2ccccc21)c1ccco1
+,,,,,,,,,,,,0.0,,,,,CID1726561,O=C(O)CCCCCN1C(=O)c2ccc(C(=O)O)cc2C1=O
+,0.0,,,,,,0.0,,,,,0.0,0.0,,,,CID3245764,Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCC2=CCCCC2)CC1
+,,,,,,,,,,,,,0.0,0.0,,,CID2223458,CCn1c(Cc2ccccc2)nnc1SCc1cccc(C(=O)O)c1
+,,,,,,,,,,,,,,0.0,,,CID832222,Cc1ccc(S(=O)(=O)NCCN2CCOCC2)c(C)c1C
+,,,,,,,,,0.0,,,,,,,,CID4883236,Cc1noc(C)c1COc1ccc(C(=O)NCC2CCCO2)cc1
+,,,0.0,,,,0.0,,,0.0,,0.0,,,0.0,,CID664279,Cc1nc(SCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1
+0.0,0.0,0.0,0.0,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID3120906,COC(=O)CSC1=C(C#N)C(c2ccc(C(C)C)cc2)CC(=O)N1
+,,,,,,,,,,,0.0,,,,,,CID255290,COc1cccc2c(=O)c(C(=O)O)c[nH]c12
+,,,,,,,,,0.0,,,,0.0,,,,CID2548696,O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NCc1ccc2c(c1)OCO2
+,,,,,,,,,,,0.0,,,,,,CID1796408,CCCOc1c(Br)cc(C(N)=O)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID850045,COc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C
+1.0,,,,,,,,0.0,,0.0,,,,0.0,,0.0,CID667358,CCCC(=O)Nc1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1
+,,,,,,,,,,,,,,0.0,,,CID2874907,CC1=CC(C)(C)Nc2ccc(OC(=O)C(C)N3C(=O)c4ccccc4C3=O)cc21
+,,,,,,,,,,,0.0,,,,,,CID1244080,Cc1cc(C(=O)Nn2cnnc2)cs1
+,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,CID655888,COc1ccc(S(=O)(=O)N(C(C)=O)c2ccc3oc(=O)sc3c2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2040656,CC(/C=C1\SC(=O)N(CCCC(=O)O)C1=O)=C\c1ccccc1
+,,,,0.0,,,,,0.0,,,,,,,,CID2947149,CCOCC(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1
+,,,,,,,0.0,0.0,,,0.0,0.0,,,,,CID2850505,COC(=O)C1=C(C)NC(=O)CC1c1ccccc1F
+0.0,,,,0.0,,,,,,,0.0,,0.0,,,,CID3239491,CC(=O)NC(O)C(=O)c1ccco1
+,,,0.0,,0.0,,0.0,,,0.0,,,0.0,,,,CID3000208,Cc1ccc(C(=O)C(C)OC(=O)C2=COCCO2)cc1C
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID3236153,CC1Cc2nc(SCC(=O)N3CCc4ccccc43)n(C)c(=O)c2S1
+,,,,,0.0,,,,,,,0.0,,,0.0,,CID1563400,CCOCCOC(=O)c1cccc(NC(=O)OCC)c1
+,,,0.0,0.0,,0.0,,,,,,,,,,0.0,CID2207969,O=C(c1ccco1)n1nc(-c2ccc(Cl)cc2)nc1NCc1ccco1
+,,0.0,,,,,0.0,0.0,0.0,0.0,,,,0.0,0.0,,CID2646373,Cc1cc(C(=O)OCC(=O)N2CCC(C)CC2)c(C)o1
+,,,0.0,,,,,0.0,,,,,,,0.0,,CID647566,COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)C1c1cccs1
+,,0.0,,,,,,,,,,,,,,,CID935474,CN(Cc1nc2ccccc2n1C)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID1452875,Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1ccccn1
+,,,,,,,,,,,,0.0,,,,,CID647724,CCCNS(=O)(=O)c1ccc(OCC(=O)NCc2ccc3c(c2)OCO3)cc1
+,,,,,0.0,,,,,,,,,,,,CID1345716,Cc1ccc(/C=C2\SC(=S)N(CC(C)C)C2=O)cc1
+,,,,0.0,,,,,,0.0,,,,0.0,,,CID3245289,CCOC(=O)Cn1/c(=N/C(=O)CSC(C)=O)sc2cc(OC)ccc21
+,,,,,,,,0.0,,,,,,,0.0,,CID972089,CCN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1484366,COc1ccc(CS(=O)c2nc(C)cc(C)c2S(C)(=O)=O)cc1
+,,,,,0.0,,,,,0.0,,,,,,,CID2028276,COC(=O)/C=C1\C(=O)N(c2nc3ccccc3s2)C(=S)N1c1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID9550061,N/C(=N\c1nc(=O)c2c([nH]1)CCCC2)Nc1ccccc1Sc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16192489,Cc1nccn1CCC1CCCCN1C(=O)CCc1nnc(-c2ccsc2)o1
+,,,,,,,,,,,,,,0.0,,,CID270383,O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1
+,,0.0,,,,,,,,0.0,,,,,,,CID3241717,CCCN1CCN(CCCNC(=O)CN2C(=O)COc3ccccc32)CC1
+,0.0,,,0.0,,,0.0,,,,,,,,0.0,,CID665112,CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C
+,,,0.0,,0.0,,,0.0,,,,,,,,,CID660001,CN1CCc2c(sc3c2C(=O)NC(c2ccco2)N3)C1
+,,,,,,,,0.0,,,0.0,,0.0,,,,CID711108,COc1ccc(S(=O)(=O)Nc2nc3ccccc3s2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2574917,O=C(COC(=O)c1ccncc1)Nc1cccc(Cl)c1
+0.0,,,,0.0,,0.0,,,,,,,0.0,,,,CID934725,CCOc1cc(C)c(S(=O)(=O)NC2CCCCC2)cc1C
+,,,,,0.0,,,,,,,,0.0,,,,CID2132141,COc1cc(C(=O)Sc2ccc(C)cc2)cc(OC)c1OC
+,,0.0,0.0,0.0,,0.0,,,0.0,,0.0,,,,,,CID651325,O=C(CN(C(=O)C1COc2ccccc2O1)c1ccccc1)NCC1CCCO1
+0.0,0.0,0.0,0.0,,,,,,,,,,,,,,CID3240485,Cc1cccc(N(C)S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID3568848,Cc1nc2sc(C(c3ccc(Cl)cc3)N3CCN(CCO)CC3)c(O)n2n1
+,,0.0,,,,,,,,,,,,,0.0,,CID972783,Fc1cc2nccnc2cc1N1CCSCC1
+,,,,,,,0.0,0.0,,0.0,0.0,,,,,,CID2998795,CC(C)CC(C(=O)Nc1oc(-c2ccco2)c(-c2ccco2)c1C#N)N1C(=O)c2ccccc2C1=O
+,0.0,0.0,,,,,,,,,,,,0.0,,,CID849399,Nc1c(-c2ccc(Cl)cc2)nnn1-c1ccccc1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID5389143,Cc1ccccc1N1C(=O)NC(=O)/C(=C\NCCN2CCOCC2)C1=O
+,,,,,,,,,,0.0,,,,,,,CID3128148,CCC(CC)C1C(C#N)=C(N)Oc2c1c(=O)oc1ccccc21
+,,,0.0,,,,,,,,0.0,,,,,,CID645217,Cc1cc(NCCCCO)n2c(nc3ccccc32)c1C#N
+,,,0.0,,,,,,,,,0.0,,,,,CID5310409,CC(NC(=O)C1CC1)C(c1cccs1)N1CCN(c2ccccc2)CC1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID2848952,CCOc1ccccc1OCC(O)CNC
+,,,,,,,,,,,0.0,0.0,0.0,,,,CID2117015,c1ccc(OCCOc2ncnc3sccc23)cc1
+0.0,,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,CID2100110,O=S(=O)(c1ccccc1)N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
+,,,,0.0,,,,,,,,,,,,,CID661084,COC(=O)CCCc1nc2ccccc2s1
+,,,,,,,,,,,,0.0,,,,,CID657487,CCOC(=O)Cc1nn(CCc2ccccn2)c(=O)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID2524341,NS(=O)(=O)c1ccc(CCNC(=O)C2CCCN2S(=O)(=O)c2ccccc2F)cc1
+,,,,,,0.0,,0.0,,,,,,,,0.0,CID658253,CCOC(=O)C(NC(=O)c1ccccc1)(N1CCCC1=O)C(F)(F)F
+,,0.0,0.0,0.0,,0.0,,,,0.0,,,,,0.0,,CID2018646,COC(=O)c1ccccc1NC(=O)CSc1nnnn1C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID902938,C/C(=N\NC(=O)c1ccc(Br)o1)C(C)C
+,,,,0.0,,0.0,,,,0.0,0.0,,,,0.0,,CID660396,COc1ccc(C(=O)c2sc(NC(C)C)nc2N)cc1OC
+,,,,0.0,,,0.0,,,0.0,,,,,,,CID2944887,CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1
+,,,,,,,,,,,0.0,,,,,,CID653768,COc1ccc(Cn2nnnc2CN(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1
+0.0,,,,,,0.0,,,,0.0,0.0,,,,,,CID664841,Nc1c2c(nc3ccn(Cc4ccccc4)c(=O)c13)CCC2
+,,,0.0,,,,,,,,,0.0,,,,,CID2110722,O=C(NC1=NCCS1)c1ccncc1
+,,,,,,,,,,0.0,,,,,,,CID3214186,Cn1c(SCC(=O)N2CCCc3ccccc32)nc2cccnc21
+,,,,0.0,,,0.0,0.0,,,,,0.0,,0.0,,CID1332709,COc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID650341,COc1ccc(S(=O)(=O)N2CCC(NC(=O)Nc3ccc(C)cc3)CC2)cc1
+,,0.0,0.0,,,,,0.0,0.0,0.0,,,,,,,CID3236250,CC(=O)N1CCCc2cc(S(=O)(=O)NC(C(=O)NC(C)c3ccccc3)C(C)C)ccc21
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+,0.0,,,,,,,,,,,,,0.0,,0.0,CID648556,CNC(=O)C1CC(=O)N(Cc2ccc3c(c2)OCO3)/C(=N/c2ccc(F)cc2)S1
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+,,,,,,,,,,,,,0.0,,,,CID2089504,O=[N+]([O-])c1ccc(COc2ncnc3ccccc23)cc1
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+,,,,,,,,,,,0.0,,,,,,CID97024,Cc1nc2cc(Cl)ccc2n1-c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID851978,Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1
+,,,,0.0,,0.0,,,,0.0,,,,,0.0,0.0,CID653085,CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)o2)cc1
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+,,,,,0.0,,,,,,0.0,,,,,,CID1764403,Cc1ccc(-c2cc(C(=O)N/N=C/c3c(C)nn(C)c3C)c3ccccc3n2)c(C)c1
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+0.0,,,,,,,,,,,,0.0,,,,,CID3243649,O=C(CCn1c(=O)oc2ccccc21)Nc1nccs1
+,,,0.0,,,,,,,,,,,0.0,,,CID3242595,O=C(NC(O)C(=O)c1cccs1)c1cccnc1
+,,,,,,,,0.0,,0.0,0.0,,0.0,,,,CID397073,CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4)o3)c(=O)oc2c1
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+,,,,,0.0,,,,,,,,,,,,CID1189161,Cc1ccc(C)c(OCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1C
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+,0.0,,,,,0.0,,,,,,0.0,,,,,CID767229,CC(C)c1nnc(NC(=O)CSc2ncn[nH]2)s1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID2962707,Cn1c(=O)c2c(nc(NCC3CCCO3)n2C)n(C)c1=O
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+,0.0,,,,0.0,0.0,,,,,,0.0,,,,0.0,CID663948,CCOC(=O)c1cc(C#N)c(N)nc1C
+,0.0,,,,,,,,,,,,,,,,CID5309119,CCOCCCNC(=O)c1cc(C)nn1-c1ccccc1
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+,0.0,,,,,,,,,,,,,0.0,,,CID3242535,C=CCNC(=O)C1CCCN(S(C)(=O)=O)C1
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+,,,,,,,,,,,,,0.0,,,,CID16192479,CCN1CC(CN(C)Cc2cn(-c3ccc(C)cc3)nc2-c2cccc(C)c2)CC1=O
+,,,,,,,,,0.0,,,,,,,,CID2231817,O=C(O)Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID646620,O=C(CSc1nnc(CNc2ccc(Cl)cc2)o1)Nc1nc2ccccc2s1
+0.0,,,,0.0,,,,0.0,,,,,,,,0.0,CID2234491,O=C(NCc1ccco1)c1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
+,,,,,0.0,,,,,,,,,,,,CID2982831,CC(=O)N(NC(=O)c1ccccc1Cl)C1CC(=O)N(c2ccc(C)cc2)C1=O
+,,,0.0,,,,,,0.0,,,,,,,,CID2948887,Fc1ccccc1OCCCCn1cncn1
+,,,,,,,,,,,0.0,,,,,,CID976991,NC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2oc1=O
+,,,,,0.0,,,,,,,,0.0,,,,CID871600,COc1ccc(C(=O)NNC(=S)NC2CCCCC2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID875792,COc1ccc(/C=C/C(=O)Nc2c(C)ccc3nsnc23)cc1
+,,0.0,,,0.0,,0.0,,,,,0.0,,0.0,,,CID2724741,O=C1C=C(OCc2ccccc2)CN1
+,,,,0.0,,,0.0,0.0,,,,,,,0.0,,CID3239322,CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCCc3ccccc3)ccc21
+,,,,,,,,,,,,,,0.0,,,CID1503573,O=c1cc(O)n(Cc2ccccc2Cl)c2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID4879595,CSc1ccccc1NC(=O)CN(C)C(C)C(=O)Nc1ccc(C#N)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2219744,CCc1ccc(OCCCOc2ccc(C=O)cc2)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,0.0,,CID653264,O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1257518,CCOc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1
+,0.0,,,,,,,,,,,,0.0,,,,CID646834,CCOC(=O)c1cc2sccc2n1CC(=O)OC(C)C
+,0.0,,,,,,,,,,0.0,0.0,0.0,0.0,0.0,,CID650730,Cc1cccc(NC(=O)Nc2cccc(C)n2)n1
+0.0,,,,,,,,,,,,0.0,,,,,CID891614,CCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1
+0.0,,,0.0,,,0.0,,,,,,,,,,,CID653219,Cc1cc(NC(=O)CCCOc2ccc(Cl)cc2Cl)no1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID3000077,CC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID666261,Cc1ccc2nc3c(cc(C(=O)NCC4CCCO4)n3C)c(=O)n2c1
+,,0.0,,,,0.0,,,0.0,0.0,,,,,,0.0,CID2942864,CC(Sc1ccccc1)C(=O)Nc1cccc(N(C)S(C)(=O)=O)c1
+,,,,,0.0,,,,,,,,,,,,CID2881635,O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc2ccccc12
+,,0.0,,,0.0,,,,,,,,,,,,CID644857,CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccc(C#N)cc3)cc2)C1=O
+,,,0.0,,,,,,0.0,,,,0.0,,,,CID2371853,O=C(CSc1ncccc1C(=O)O)NCc1ccc(F)cc1
+,,,,,0.0,,,,,,,,,,,,CID20926,CCOC(=O)c1cc2cc(OC)ccc2[nH]1
+,,0.0,,,,,,,,,,,,,,0.0,CID646044,O=C(CCCC(=O)N(CC(=O)NC1CCCC1)Cc1ccc(F)cc1)Nc1ccccn1
+0.0,0.0,0.0,0.0,,,,0.0,0.0,,,,,,,0.0,,CID653898,COCc1nnc(NC(=O)CCCOc2ccccc2OC)s1
+0.0,,0.0,0.0,0.0,,,,0.0,,,,0.0,,,,,CID666434,COc1ccc2c(=O)c3c(=O)n(Cc4ccco4)c(C4CCCCC4)nc3oc2c1
+0.0,0.0,,,,,,,,0.0,,,0.0,,,0.0,0.0,CID2233506,COC(=O)c1ccc(Cl)c(NC(=O)CN2CCCC2)c1
+,,,0.0,0.0,0.0,,,,,,,,,,,0.0,CID652661,COC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1c1ccoc1
+,,,,,,,,,,,,,0.0,,,,CID1252378,Cc1cc(Br)ccc1NC(=O)CCSc1ccccc1
+,,,,,,,0.0,,,,,,,,,,CID5328804,N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(O)cc1
+,,,,,,,,,,,0.0,,0.0,,,,CID821030,Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2F)cc1
+,,,,,,,,,,,0.0,,,,,,CID1442151,CCOc1cc(-n2cnnn2)c(OCC)cc1NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O
+,0.0,,,0.0,0.0,0.0,0.0,,,0.0,,,0.0,,0.0,,CID2562343,COc1ccc(CCC(=O)Nc2nc3c(s2)CN(C)CC3)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID1815775,COc1ccc(S(=O)(=O)NCCSC(C)(C)C)c(Cl)c1Cl
+,,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,CID3151786,CCOC(=O)c1ccc(Nc2nc(=O)cc(C)[nH]2)cc1
+,,,,,,,,,,,,,,,0.0,,CID5310159,CCN1CCN(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)C1=O
+,,,,,,,,,,,0.0,,,,,,CID3169582,Fc1ccc2c(c1)=C(c1ccc(N3CCOCC3)cc1)NN=C(c1cccs1)N=2
+,,,,,,,,,,0.0,,,,,,,CID742745,CCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCCC3
+0.0,,,,0.0,0.0,,0.0,,,0.0,,,,,,0.0,CID2490449,O=c1c2ccccc2nnn1CSc1nc2ccccc2c(=O)n1Cc1ccco1
+,,,0.0,0.0,,,,,,,,,,,,,CID3238059,Cc1sc2c(c1C)C(=O)NC(c1cccc(O)c1)N2
+,,,,,,,,0.0,,,,,0.0,,,,CID995662,CCOC(=O)c1c(NC(=O)c2c(Br)cnn2CC)sc(C)c1C
+,,,,,,0.0,,,,,0.0,,,,,,CID2998681,Cc1ccccc1C1=NC(c2ccc(F)cc2F)ON1
+0.0,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,,,CID4051686,Cn1cc(SCC(=O)Nc2ccc3c(c2)OCO3)c2ccccc21
+,,,,,,,,0.0,,,,,,0.0,,,CID1957156,Nc1nnc(SCC(=O)NCCOc2ccccc2)s1
+,,,,,0.0,,,,,,,,,,,,CID2131942,COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(C)C)cc1
+0.0,0.0,,,0.0,0.0,,,,,,,,,,,0.0,CID665583,CC(C)(C)OC(=O)N1CCCC1c1nnc(SCc2c(F)cccc2Cl)o1
+,,,,,,,,0.0,0.0,0.0,0.0,,,,,,CID1548458,CCOC(=O)c1[nH]c2ccccc2c1CCCN1C(=O)c2ccccc2C1=O
+,,,,,0.0,,0.0,,,,0.0,,,,,,CID659597,Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(c2ccccc2F)CC1)CC3
+,,,,,,,,,,,,,0.0,,,,CID5346086,COc1cc(/C=C/C(=O)c2ccc(F)cc2)cc(OC)c1OC
+,,,,,,0.0,,0.0,0.0,,,,,,,,CID2235751,CSc1ncc(Cl)c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)n1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID667281,CCOC(=O)N1CCN(Cc2cc(=O)oc3ccc(Cl)cc23)CC1
+,,,,,,0.0,,,,,,,,,,,CID5309737,COc1ccc(C2CC(c3ccc(Cl)cc3Cl)N=C3N=C(N)NN32)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID747161,CCC(=O)Nc1nnc(CCc2ccccc2)s1
+,,,,,,,,,,,,,,0.0,,,CID1814064,N#Cc1cn(CCCOc2ccccc2)c2ccccc12
+,,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID5771326,COc1cccc(C(=O)c2cc3ccc(O)cc3oc2=O)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1296211,COc1ccc(Cl)cc1NC(=S)N1CCN(C(=O)c2ccco2)CC1
+,,,0.0,0.0,,0.0,,,,,,,,,,0.0,CID647562,Cc1ccc2cccc(SCC(=O)NCc3ccco3)c2n1
+,0.0,,,,,,,,0.0,0.0,,,,,0.0,,CID663006,COc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2N)cc1
+,,,,,0.0,,,,,,,,,,,,CID2195469,CCOCCNC(=O)c1ccc2c3c(cccc13)CC2
+,,,,,,,,,,,,,0.0,,,,CID3542248,COc1cc(/C(C)=N/NC(=O)c2ccc(CSc3nncn3C)cc2)cc(OC)c1OC
+0.0,,,,,,,,0.0,,,,,,,0.0,0.0,CID892191,CCn1ncc(Br)c1C(=O)Nc1ccc(Cl)cn1
+,,,,,,,,0.0,,,0.0,,,,,,CID1286771,C=CCn1c(=O)c2c(nc(Br)n2Cc2ccccc2Cl)n(C)c1=O
+,,,,,0.0,,,,,,1.0,,,,,,CID1226384,O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12
+,,,,,,0.0,,,0.0,,,0.0,,,,,CID5307980,COc1ccc(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)cc1
+,,,,,,,,,0.0,,,,,,0.0,,CID5308009,COc1ccccc1S(=O)(=O)Cc1ccc(C(=O)N2CCCC2)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID848834,Cn1c(=O)c(-c2ccccc2)nc2ccccc21
+,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID2907798,CCCCC(NS(=O)(=O)c1ccc(OC)cc1)C(=O)O
+,,,,,,,,,,,,,,0.0,,,CID1811089,CCc1sc(N(C(=O)Cc2ccccc2)c2ccc(F)cc2)nc1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID2849830,Brc1ccc(/C=N/Nc2ccc3ccccc3n2)cc1
+,,,,,,,,,,,0.0,,,,,,CID3209083,CCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1
+0.0,0.0,,0.0,,,,,,,,,,,,,,CID3235918,CCN1CCN(C(=O)c2nn(-c3ccc(OC)cc3)c(=O)c3c2c2ccccc2n3C)CC1
+,,,,,,,,,,,0.0,,,,,,CID645363,C=CCN(C(=O)Cn1nnc2ccccc21)C(C(=O)NCCOC)c1ccc(OC)cc1OC
+,0.0,0.0,,,,,0.0,0.0,,,,,,,0.0,,CID3241732,N#CCSc1nc2ccccc2c(=O)n1CCC(=O)NCCc1ccccc1
+,0.0,,,,,,,,,,,,,,0.0,,CID647915,O=C(Cn1nnc2c(cnn2-c2ccccc2)c1=O)N1CCN(c2ccccc2F)CC1
+,,0.0,,,,,,,0.0,,0.0,0.0,,0.0,,,CID1263108,Cc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1
+,,,,,0.0,,,,,,,,,,,,CID1430276,Cc1ccc(C)c(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID2981035,COc1ccc(C)cc1S(=O)(=O)N(CC(=O)O)c1ccc(F)cc1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID2471449,CCOC(=O)c1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C
+,,0.0,,,,0.0,,,,0.0,,,,,0.0,0.0,CID647729,N#CCSc1nnc(C2CCCCC2)n1-c1ccccc1
+0.0,0.0,,0.0,,0.0,0.0,,0.0,,,0.0,0.0,,,,,CID662299,CCC(=O)Nc1cc(-c2nnc(OC)c3ccccc23)ccc1N1CCOCC1
+,,,,,,0.0,,,,,,0.0,0.0,,,,CID2336955,O=C(NCCCN1CCCC1=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID3601836,CCOc1ccc(C2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC
+,,,,,,,0.0,,,,,,,,,0.0,CID652502,Cc1cccc(N(CC(=O)NCc2ccco2)C(=O)CCC(=O)Nc2ccccn2)c1
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID2929691,COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OS(=O)(=O)c1ccccc1
+,,,0.0,,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,CID1247653,COc1cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)o3)cc2)nc(OC)n1
+,,,,,0.0,,,,,,,,,,,,CID9550380,COCCNC(=O)C1CC(c2ccc(F)cc2)=NO1
+,,,,,,,,,0.0,,,,,,,,CID1073918,CC(C)c1c(O)nc(SCC(=O)N2CCOCC2)[nH]c1=O
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3237351,O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)c21
+,,,,,,,,,,,,,,0.0,,,CID2772178,Cc1cccn2c(=O)c(C=O)c(N3CCN(c4ccccc4)CC3)nc12
+0.0,0.0,,,,,0.0,,,,,,,,,,0.0,CID3237298,COc1ccccc1C1N(c2ccc(Cl)cc2)C(=O)C2CCCN21
+,,,,,,,,,,,,,,0.0,,,CID5339344,COc1ccccc1/C=C/C(=O)c1c2c(c(C)[nH]c1=O)CCCC2
+,,,0.0,0.0,,0.0,0.0,0.0,,,0.0,,,,,0.0,CID974087,CCC(CC)C(=O)Nc1cccc(C(=O)NCc2ccco2)c1
+,,0.0,,,0.0,,0.0,,,,,0.0,0.0,0.0,,,CID645292,CCOC(=O)Cn1nnc(-c2ccc(OCC(C)C)cc2)n1
+,,,,,,,,0.0,,0.0,0.0,,,,,0.0,CID818851,CC(C)(C)Oc1ncc(Br)c(OC(C)(C)C)n1
+,,,,,,,,,,,,,,0.0,,,CID2726043,Cc1nc(N2CCCCC2)c(C#N)c(C)c1[N+](=O)[O-]
+,,,,,,,,0.0,0.0,0.0,,,,0.0,,,CID2221530,O=C1CCC(=O)N1OCCOc1ccc2c(c1)CCC2
+,0.0,,0.0,,,,0.0,,0.0,,0.0,0.0,,,,,CID2770910,c1ccc(C2NCCn3cccc32)cc1
+,,,,,,0.0,0.0,,,,,,,,,0.0,CID3241896,Cc1ccc(S(=O)(=O)N2CCN(C(=O)N3CCOCC3)C2C)cc1
+,,,,,,,,,,,0.0,,,,,,CID1996981,CC1CCN(C2=NC(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3cccc(S(=O)(=O)N(C)C)c3)S2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1287136,O=C(CCNc1ccc(Cc2ccncc2)cc1)c1ccc([N+](=O)[O-])cc1
+,,,,0.0,,,,,0.0,,0.0,,,,,,CID651562,CC(=O)c1cccc(S(=O)(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)CC2CCCO2)c1
+,,,,0.0,,,0.0,,,,,,,,,,CID658934,Cc1cccc(NC2=NC(=O)CS2)c1C
+0.0,,,0.0,0.0,,,,0.0,,0.0,,,0.0,,,,CID666502,C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1cc(OC)cc(OC)c1
+,,,0.0,,,0.0,,,,,0.0,0.0,,,,,CID665597,c1ccc(-c2nc(N3CCCCCC3)c3ccccc3n2)nc1
+0.0,0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,CID736339,Cc1onc(-c2ccccc2)c1C(=O)N1CCCc2ccccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID2211711,CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NC(C)=O)cc1
+,0.0,,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,CID2947711,O=C(NCCN1CCN(C(=O)Nc2ccccc2)CC1)Nc1ccccc1
+,0.0,,,0.0,,,,,,,,,,,,0.0,CID314325,O=C(O)CSC1=NCCN1
+0.0,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID2164960,O=C(CCC1CCCC1)NCCCN1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID1771979,O=C(Nc1cccc(C(=O)O)c1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1
+,,0.0,0.0,,,0.0,,0.0,,0.0,,,,,,,CID2887552,Cc1c(C)c2ccc(OC3CCCCC3=O)cc2oc1=O
+,,,,,,,,,,,0.0,,0.0,,,,CID2301821,Cc1ccc(/C(C#N)=C\c2ccc(N3CCOCC3)o2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2226242,CCOCCC(=O)Nc1cc(Cl)ccc1OC
+,,,,,,,,,,0.0,,,,,,,CID3226852,CC1CCCCN1S(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1567476,Cc1cc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3)C2=O)no1
+,0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,CID663120,N#Cc1cnn(-c2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)c1N
+,,,,,,,0.0,,,,,,,,,,CID3237421,CCOC(=O)C1=C(C)N(C)C2(C)CC1c1ccccc1O2
+,,,,,,,,0.0,,,,,,,,,CID2306296,Cc1ccccc1-c1nc2sc3c(c2c(=O)n1N)CCCC3
+,,,,,,,,0.0,,,0.0,,,,,,CID1244724,O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NCCN1CCOCC1
+,,,,,,,,,,,,,,,,0.0,CID649200,CCOc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(-n4cnnn4)cc3)C2)c1
+0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,,CID657546,[O-][N+]1=c2ccc(Nc3ccccc3)cc2=NC12CCCCC2
+,,0.0,,,0.0,0.0,,,,0.0,,0.0,,,,,CID3000022,CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21
+0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,,CID3238559,COc1ccccc1-c1cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)N2CCCCC2C)n1
+,,,,,,,,,,,,,,0.0,,,CID696188,COc1ccc(-c2cn3cccnc3n2)cc1Br
+0.0,,0.0,,,,,,,,,,,,,,,CID5308902,CCCCN(C)C(=O)c1cn(CC)c2ccc(S(=O)(=O)N(C)C)cc2c1=O
+,,,,,,,,,,,,,0.0,0.0,,,CID1400299,O=C(Nc1nnc(Cc2ccc(Cl)cc2)s1)c1cccs1
+,0.0,,,,,,,,,,,0.0,,,,0.0,CID672502,CC(C)c1nc(=S)n(-c2ccccc2)[nH]1
+0.0,,,,,,,,0.0,,,,,,,0.0,,CID4621635,Cc1cc(C)n2c(Br)c(CN3CC4CC(C3)c3cccc(=O)n3C4)nc2n1
+,,,,,,,,0.0,0.0,,,,,,,,CID1072833,CCOC(=O)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)cc1
+,0.0,,,,,,,,,,,,,,,,CID2272364,C=CCNC(=O)CSc1ccc(Cl)cc1
+,,,,,,,,,,,,,0.0,,,0.0,CID2769118,O=C(NC1CCSC1=O)c1ccc(Cl)cc1
+,0.0,0.0,,0.0,0.0,0.0,0.0,,,0.0,,,,,,,CID889439,Cc1ccc(-c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1
+,,,0.0,,,,,,0.0,,,,,,,0.0,CID2997587,CCC(C)C(NC(=O)c1ccc(Cl)cc1)C(=O)O
+,,,,,,,,,,,,,0.0,,,,CID2211008,CC(C)c1cc(C(=O)NNC(=S)NCc2ccco2)c(O)c(C(C)C)c1
+,,0.0,,,0.0,,0.0,,,,,0.0,,,,,CID872966,O=c1[nH]nc(Cc2ccccn2)c2ccccc12
+,0.0,,,,,,0.0,0.0,,,0.0,,,,0.0,,CID2975882,CCOc1cccc(C(=O)NC2CCCCC2)c1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID654197,Cc1ccn2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)nc2c1
+,,,,,,,,,,,0.0,,,,,,CID858281,NC(=O)Cn1nnc(-c2ccccc2NC(=O)c2cnccn2)n1
+,,,,,0.0,,,,,,,,,,,,CID3112293,O=C(COc1ccccc1-c1ccccc1)N/N=C/c1cccc2ccccc12
+,,,0.0,,,,,,,,,,,,,0.0,CID1245109,COC(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID658191,Cc1nn(-c2ccccc2)c2c1C(c1ccco1)C(C#N)=C(N)O2
+,,,,,,,,,,,,,0.0,,,,CID727920,COC(=O)c1c(-c2ccccc2)noc1C
+,,,,,0.0,,,,,,0.0,,,,,,CID687466,Nc1ccc(-c2nc3ccc(-c4nc5ccccc5o4)cc3[nH]2)cc1
+,,0.0,,,,,,0.0,,,0.0,0.0,,,,,CID649129,CCN1CCCC1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1
+0.0,,0.0,0.0,,,,0.0,,,,,,,,,,CID648473,COc1ccc(N2CCN(C(=O)CSc3nnc4n3C(C)(C)Cc3ccccc3-4)CC2)cc1
+,,,,,0.0,,,,,,0.0,,,,0.0,,CID645490,CCNc1oc(COc2cccc(C)c2)nc1C#N
+,,,0.0,0.0,0.0,0.0,0.0,,,,,,,,,,CID670283,O=C(c1cccs1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,0.0,,,,,0.0,,,,,,,,,,,CID657452,COc1cc(=O)[nH]c(=O)n1CC(=O)c1ccccc1
+,,0.0,,,,,,,,0.0,,,,,,,CID5871620,COc1ccc(CC[n+]2cc(/N=C(/C)[O-])on2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID1314220,O=S(=O)(Nc1ccc2c(c1)OCO2)c1ccc(Br)s1
+,,,,,,,,,,,0.0,,,,,,CID339730,Cc1cc(=O)n2[nH]c(-c3ccc(C(C)(C)C)cc3)cc2n1
+,0.0,,0.0,,,,,0.0,,,,,,,,,CID79437,Cn1c(=O)c2c([nH]c(=O)n2C)n(C)c1=O
+,,,,,,,,,,,0.0,,,,,,CID3582870,Cc1sc2ncn(CC(=O)NCCCC(=O)N3CCC4(CC3)OCCO4)c(=O)c2c1C
+,,,,,,,,,0.0,,,,0.0,,,,CID2921828,CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)c1
+,,,,,,,,,,,,,,,0.0,,CID2958629,N#CC1=C(N)N=C(SCc2ccccc2)C(C(N)=O)C12CCCCC2
+,,,,,,,,,,0.0,,,,,,,CID9550197,COc1cccc(C2=NOC(C(=O)Nc3ccccc3SC)C2)c1
+0.0,0.0,,,,,,,,,,,,,,,,CID648976,O=C(Cn1nc(Cl)nc1Cl)Nc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID1451519,Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1nnc(C2CCCCC2)s1
+,,,,,,,,,,,,,0.0,0.0,,,CID236268,Cc1nc2ccc(C(=O)O)cc2nc1C
+,,,,,,,,,,0.0,,,,,,,CID5103142,O=C(C1CCCCN1S(=O)(=O)c1ccccc1)N1CCCCC1
+,,,,,,,,,,,,,0.0,0.0,,,CID902548,CC(=O)Oc1cccc(N2C(=O)c3ccccc3C2=O)c1
+,,,,,,,,0.0,0.0,,,0.0,,,,,CID2928258,COCCNC(=O)C(C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID828596,Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID758257,CC1CCC(C(=O)c2c(O)oc3ccccc3c2=O)CC1
+,,,,,,,,,,0.0,0.0,,,,,,CID16484,COc1ccc(-c2ccc(OC)cc2)cc1
+,0.0,0.0,,,,0.0,,,,0.0,,,0.0,,,,CID1192954,COc1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)cc1
+,,,0.0,0.0,,0.0,0.0,,,0.0,,,,,,0.0,CID1251727,O=C(NCCc1ccccc1)c1ccccc1NS(=O)(=O)N1CCCC1
+,,,,,,,,,,,,,0.0,,,,CID2115242,COC(=O)CCCn1c(C)cc(C(=O)CCl)c1C
+,,,,,,,,,,,,,,,0.0,0.0,CID646406,Cc1ccc2c(c1C)NC(C(=O)O)C1CC=CC21
+0.0,,,,0.0,,,,,0.0,0.0,,0.0,,0.0,,,CID1309992,CN(c1ccc(C(=O)Nc2nccs2)cc1)S(=O)(=O)c1ccccc1
+,,0.0,,0.0,,,,,,0.0,,0.0,,,,,CID663589,Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc21
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3210624,O=C(NC1CCCC1)C(c1ccccc1)N(C(=O)c1ccno1)c1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16194110,CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)[nH]c(=O)[nH]c3=O)CC2)c1
+,,,,,0.0,,,,,,,,,,,,CID919878,O=C1c2ccccc2-c2onc3ccc(N4CCCCC4)c1c23
+,,,,,0.0,,,,,,,,,,,,CID1563752,CCCCOc1ccc(NC(=O)c2cccc(OC)c2)cc1
+,,,,,0.0,,,,,,,,,,,,CID280296,Cc1ccc(/S(C)=N/S(=O)(=O)c2ccc(C)cc2)cc1
+,,,0.0,,,0.0,,,,,,,,,,,CID663620,CCOC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CC(C)(C)OC3
+,,,,,,0.0,,,0.0,,,,,,,,CID2197817,CS(=O)(=O)NCCSCc1ccccc1
+0.0,,,,,,,,,,,,0.0,,,,,CID4432959,NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O
+,,,,,,,,,0.0,0.0,,,,0.0,,,CID977381,CCc1nnc(NC(=O)c2ccc(-c3ccccc3Cl)o2)s1
+0.0,,,0.0,,,,,0.0,,,,0.0,,,,,CID3235894,COc1ccccc1N1CCN(C(=O)c2cc(-c3ccc4c(c3)OCO4)on2)CC1
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID3243335,CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC(C)C3)c21
+,,,,,,,,,,,,,,0.0,,,CID1295218,CCOc1ccc(/C=N/n2c(SC)nnc2-c2ccccc2)cc1OCC
+,0.0,,,,,,0.0,,,,,,,,,,CID5307698,CC(C)CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)NCc1cccnc1
+,,,,,,0.0,,,,,0.0,,,,,,CID662180,Cc1nc2sc(C(=O)O)c(N)c2c2c1COC(C)(C)C2
+,,,,,0.0,,,,,,,,,,,,CID6619781,COc1ccc(C2=NOC(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)C2)cc1
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID5389882,CC1(C)c2ccccc2N2CC(=O)NC21/C=C/c1ccco1
+,,,,,,,,,0.0,,0.0,,0.0,,,,CID2398303,Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12
+,,,,,,,,,,,,,0.0,,,,CID849379,Brc1ccccc1-c1csnn1
+,,,,,,,,,,,,,0.0,,,,CID1435041,Cc1ccc(-c2noc(=O)n2CC(=O)c2ccc(Cl)cc2)cc1
+,,,,,,,0.0,,,0.0,,0.0,,,,,CID606837,Nc1nc(CSCc2ccccc2)nc(N2CCOCC2)n1
+,,,,,,,,,,0.0,,,,,,,CID5310312,COc1ccc(-n2nnc3c(=O)n(CC(=O)N4CCCCC4)cnc32)cc1
+,,,,,,0.0,0.0,,,0.0,0.0,,,,,,CID5307534,Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2
+,,,,,,,,,,,,,0.0,,,,CID2329165,Cc1nc(NC(=O)c2ccccc2)sc1Cc1ccc2c(c1)OCO2
+,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID3245380,COc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1
+,,,,,,,,,,,,0.0,,,0.0,,CID3241435,Cc1cc(=O)oc(C)c1C(=O)NCCC(C)C
+,,,,,0.0,,,,,,,,,,,,CID4103746,CCOC(=O)CSc1nc(-c2ccccc2)nc2c1oc1ccccc12
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID732301,CCN(CC)c1ccc(NC(=O)C(C)C)cc1
+,0.0,,,0.0,,,,,,,,0.0,,,0.0,,CID4108861,CC1(C(=O)NCc2cccnc2)CCC(=O)N1Cc1cccs1
+0.0,0.0,0.0,,0.0,,,,,,,,0.0,,,,,CID3238591,CCOC(=O)c1sc(Nc2nc3c(OC)cccc3s2)nc1C
+0.0,,,,,,,,0.0,,0.0,,,,,,0.0,CID2228525,O=C1CN(c2ccc(Br)cc2)C(=O)N1CC(=O)N1CCCc2ccccc21
+,0.0,,,,,,,0.0,,,0.0,,,0.0,0.0,,CID665362,O=C1NCCCC1C(=O)Nc1ccccn1
+,,,,,,,,0.0,,,,,,,,,CID3240858,O=C(CCS(=O)(=O)c1ccc(Br)cc1)NCc1cccs1
+,,,,,0.0,,,,,,,,,,,,CID4283575,CCCCN1CC(C(=O)NCc2ccc(C)cc2)CC1=O
+,,,,,,,,,,,0.0,,,,,,CID2765690,COc1ccnc(Oc2ccc(F)cc2)c1C(=O)/N=C/NOCc1ccc(Cl)cc1Cl
+0.0,,0.0,,0.0,,,,,,0.0,,,,,,,CID647583,Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)o2)c1
+,,,,,0.0,,,,,,,,,,,,CID1261288,O=C(NN1CCOCC1)c1cc(-c2cccc(Cl)c2)nc2ccccc12
+,,,0.0,,,,,0.0,0.0,,,,,,,0.0,CID2246801,CC1(C)CC(=O)C(=CNCCC2=CCCCC2)C(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID3211133,O=C(NCC(=O)N(c1cccc(F)c1)C(C(=O)NC1CCCC1)c1cccnc1)c1cccs1
+0.0,,,,,,,,,,,,,,,,,CID5309099,Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)N3CCN(c4ccccn4)CC3)sc21
+,,,,,,,,0.0,,,,,,,,,CID1251203,CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1
+,,,,,,,,,,,,,0.0,,,,CID1336288,COc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)c1ccco1
+,,,,,0.0,0.0,,,,,,,,0.0,0.0,,CID2094460,COc1cc2c(cc1OC)CN(C(=O)c1cc3ccccc3oc1=O)CC2
+,,0.0,,,,,0.0,0.0,,,,,,,,,CID2976424,Cc1ccccc1OC(C)c1nc(-c2ccccc2)no1
+,,0.0,0.0,,,0.0,0.0,,,,,,,,,,CID5309806,COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID6621358,CC(C)Cc1cc(C(=O)Nc2cccnc2)no1
+,,,,,,0.0,,,0.0,,,,,,,,CID5236854,CCN(CC)CCCN1C(=O)C(O)=C(C(C)=O)C1c1ccc(OC)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID3221651,CCOc1ccc2nc(NCCCNS(=O)(=O)c3ccc(C)cc3)c(C#N)cc2c1
+,,,,,,,,0.0,,,,,,,,,CID718667,Cc1ccccc1NC(=O)COc1nsnc1N1CCOCC1
+,,,,,,,,,,,,0.0,,,,,CID645318,COc1cccc(CNC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1
+,,,,,,,,0.0,0.0,,,,,,,,CID2841204,COC(=O)C1C(=O)NCC1c1ccc(C)cc1
+,,,,,0.0,,,,,,,,,,,,CID1337150,O=C(/C=C/c1cccc2ccccc12)NCCC1=CCCCC1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID658042,CSc1nc2sc3c(c2c2nnnn12)CC(C)(C)OC3
+,,,,,,,0.0,,,,,,0.0,,,,CID4197,Cc1[nH]c(=O)c(C#N)cc1-c1ccncc1
+0.0,,0.0,,,,0.0,,,,,,,,,,0.0,CID1242503,CCOc1ccc(Nc2oc(Cc3ccccc3)nc2C#N)cc1
+,0.0,,,0.0,0.0,0.0,,,,0.0,,,,,,,CID713963,Cn1c2c(c3ccccc31)CCSC2=O
+,,,,,,,,,,,,,0.0,,,,CID1848366,COc1ccc(OC)c(/C=N/NC(=O)c2cc3c(OC)c(OC)ccc3[nH]2)c1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID3236022,COc1ccc(CN2C(=O)CCC2(C)C(=O)NCc2cccnc2)c(OC)c1
+,,,,,,,,0.0,,0.0,,,,,,,CID759169,S=C1NC(c2ccccc2)=NCN1c1ccc(Br)cc1
+,,,,0.0,,0.0,,,,,,,0.0,,,,CID2902532,COc1ccc(OC)c(Nc2nc(-c3cccs3)cs2)c1
+,,,,,,,,,,,,,,0.0,,,CID2027792,Cc1nn(CC(=O)N/N=C/c2ccc3c(c2)OCO3)c(C)c1Br
+0.0,,,,,0.0,0.0,,0.0,,,,,,0.0,,,CID1069750,COc1ccc(OC)c(C(=O)c2ccc(C(=O)N3CCCCC3)cc2)c1
+,,,,,,0.0,,,0.0,,,,,0.0,0.0,,CID461168,COC(=O)c1c(C(=O)OC)c2n(c1C)Cc1ccccc1C2
+,,,,,0.0,,,,,,,,,,,0.0,CID5389631,Cc1ccc(S(=O)(=O)N2CCC(C(=O)NC(C)C(=O)NCCc3ccccc3)CC2)cc1
+,,,,,,,,,0.0,0.0,,,0.0,,,,CID2087465,Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2cc(-c3ccccc3)sc2n1
+,,,,,0.0,,,,,,,,,,,,CID5343949,Cn1ccnc1/C=C(/OC(=O)c1ccccc1)c1ccccc1
+,,,,,,,,,,,0.0,,,,,,CID1165864,CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NC4CCCCC4)n3C)cs2)cc1
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID655597,COc1ccc(CCN(Cc2cccs2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC
+,0.0,0.0,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,,CID645531,CS(=O)(=O)NCc1nnc(SCC(=O)NC2CCCCC2)n1-c1ccc(F)cc1
+,,0.0,0.0,,0.0,,0.0,,,,,0.0,,0.0,,,CID2325026,c1ccc(-n2c(-c3ccco3)nnc2N2CCOCC2)cc1
+,0.0,0.0,,,,,0.0,0.0,0.0,,,,,,,,CID942488,NC(=O)CS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F
+,,,,,,,,0.0,,,,0.0,,,,,CID3243449,CCOC(=O)N1CCC(NC(=O)CCC(=O)c2ccccc2)CC1
+0.0,,0.0,,,,,,,,,,,,,0.0,,CID5309517,COC(=O)C1=C(C)N2C=NNC2=NC1c1ccc(Cl)cc1
+0.0,,0.0,0.0,,,,,,,,,0.0,,,0.0,0.0,CID3238190,COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl
+,,0.0,,,,,0.0,,,,,,,,,,CID5307544,O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21
+0.0,,,,,,,,0.0,,,0.0,,,,,,CID657872,Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CC(O)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID5309721,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCC2CCCO2)cc1
+,,,0.0,,0.0,,,,,,,,,,,,CID5310267,C=CCN1C(=O)/C(=C2/C(=O)Nc3ccccc32)S/C1=N\c1nccs1
+0.0,,,,,,,0.0,,,,,,,,0.0,,CID5308026,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccccc2)cc1
+0.0,,,0.0,,,,,,0.0,0.0,,,,,,,CID3242078,COc1ccc(Cc2nc(-c3ccc(NC(=O)c4cccnc4)cc3)no2)cc1
+0.0,0.0,,,,,0.0,,,,0.0,,,,,,,CID790566,CCOc1ccc(NC(=O)c2ccc(N)cc2)cc1
+,,,,,,,0.0,,,,,,,,,,CID107982,COc1cc(CNC(=O)CCCCCCC(C)C)ccc1O
+,,,0.0,,,,0.0,,0.0,,,,,,,0.0,CID977032,O=C(Nc1cccc(-c2nnc(-c3ccccc3)o2)c1)C1CCCCC1
+,,,,,,,,,,,0.0,,,0.0,,,CID2467616,CCOc1ccc(NC(=O)C(NC(=O)c2ccccc2)C(C)CC)cc1
+,,0.0,,,0.0,0.0,,,,,,0.0,,,,,CID663638,Cn1c(=O)c2c(nc(OCC3COC(C)(C)O3)n2Cc2ccccc2F)n(C)c1=O
+0.0,,,,,,,,,,,,,,,,0.0,CID3238226,CC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCC(N3CCCCC3)CC2)c1C
+,,,,0.0,,,0.0,0.0,,,,0.0,,,,,CID3236110,Cc1nccn1CCCN1C(=O)OC2(CCCCC2)C1(C)O
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2103410,Cn1cnnc1SCc1ccc(-c2ccc(Br)cc2)o1
+,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,,CID751067,CCn1c(CNC(=O)C(C)(C)C)nc2ccccc21
+0.0,,0.0,,,,0.0,,,,,0.0,,0.0,,0.0,,CID2222041,CCN(CC(=O)N1CCN(C)CC1)S(=O)(=O)c1ccc(Cl)cc1
+,,,,0.0,,,,0.0,,,,,,,,,CID3238612,COc1cc2[nH]c(=O)n(CCCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC
+0.0,,,,,,,,,,,,,0.0,,,,CID692974,CCOc1ccc(-c2nnc(-c3ccco3)o2)cc1
+0.0,,,,0.0,,0.0,,,,,,0.0,0.0,,0.0,,CID1858707,CC1=CS/C(=C(/C#N)C(=O)N2CCCCC2)N1c1ccccc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2353985,COc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID5769370,COc1ccc(-n2c(C)cc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)c2C)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID972599,c1ccc(Cc2nnc3sc(-c4ccncc4)nn23)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID655826,CCOC(=O)CSc1nc2ccccc2n1CC(=O)N1CCN(c2ccccc2)CC1
+,,,0.0,,0.0,,,,,,,,,,,0.0,CID648493,CCOc1ccc(Nc2nc(Cc3nnc(SCC(=O)NCC4CCCO4)n3C)cs2)cc1
+,0.0,,,,,0.0,0.0,0.0,,,,,,,0.0,,CID5307140,CCc1ccccc1NC(=O)c1onc(C)c1Cl
+0.0,,,,0.0,,,0.0,,0.0,,,,,,,0.0,CID645988,O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NCc1ccco1
+,,,,,,,,,,0.0,,,,,,,CID3216235,CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(Cc1cccs1)C(=O)CCC(=O)Nc1cc(C)on1
+,,,,,,0.0,,,0.0,,,,,,,,CID1632774,C=CCSc1nc(N)c2c(C)c(C)sc2n1
+,,,,,0.0,0.0,,,,,,0.0,,,,,CID550653,Cc1ccc(C2(O)CC(C)N(C)CC2C)cc1
+,,,,,,,,,,,,,0.0,,,,CID544952,C=C1N(c2ccc(Cl)cc2)C(=O)OC1(C)C
+,,,0.0,,,,,,,,,,,,,,CID706075,Cc1cc(C)n2nc(S(=O)(=O)N(C)Cc3ccccc3)nc2n1
+,,,,,,,,0.0,,,,,,,,,CID3236148,CC(C)NC(=O)CCS(=O)(=O)c1ccc(Br)s1
+,,,,0.0,0.0,,0.0,,,,,0.0,,,,,CID3242621,COc1ccc(CNC(=O)C2CSC(=O)C2)cc1
+0.0,,0.0,,,,,0.0,,0.0,,,,,,,0.0,CID1315015,Cc1ccc(CN(c2ccc(C(=O)N3CCCC3)cc2)S(C)(=O)=O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID969989,COC(=O)c1sccc1NC(=O)Nc1cccc(Cl)c1Cl
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+,,,,,0.0,,,,,,,,,,,,CID735990,Cc1ccc2nc(-c3ccc(N)cc3)oc2c1
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+0.0,,0.0,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,CID2998586,COc1ccc(CC(=O)OCC(=O)NC(=O)NC2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID3242187,CCCS(=O)(=O)N1CCCC(C(=O)N2CCN(c3ccccc3)CC2)C1
+,,,,,,,,,,,,,,,,0.0,CID681252,O=C(Nc1ccc(Br)c(Cl)c1)c1ccco1
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+,0.0,,,,,,,0.0,,,,,,,,,CID2124377,O=C(Cn1c(=O)oc2ccccc21)NC(=O)NCc1ccco1
+,0.0,,,,0.0,0.0,,,,,0.0,0.0,,,,,CID731336,C=CCn1cnc2scc(-c3ccccc3)c2c1=O
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+,0.0,,,,,,,,,,,,,,,,CID5390046,COc1ccc(C2C3=C(NN/C3=C3\C=C(Cl)C(C)=CC3=O)C(=O)N2Cc2cccnc2)cc1OC
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID661574,Cn1c(=S)[nH]c2cccnc21
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+,0.0,0.0,,,0.0,,,,,,,,,,0.0,,CID2998398,Nc1c(C(=O)NCC2CCCO2)c2nc3ccccc3nc2n1-c1ccccc1
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+,0.0,,,,0.0,,,,,,0.0,0.0,,0.0,,,CID737233,COCc1cc(=O)n2[nH]c(-c3ccccc3)cc2n1
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+,,,,,,,,,,,,,,0.0,,,CID1517476,O=[N+]([O-])c1ccc(-c2cnc(SC(c3ccccc3)c3ccccc3)[nH]2)cc1
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID667289,CCOC(=O)C1C(=O)NC(N2CCN(Cc3ccccc3)CC2)=NC1c1ccco1
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+,0.0,0.0,,,,,,,,,,,,,,,CID5309493,Cc1ccc(-c2nc(CSCC(=O)N3CCN(C(=O)c4ccco4)CC3)c(C)o2)cc1
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+,,,,,,,,,,,,,,0.0,,0.0,CID658026,c1csc(-n2nc3ccccc3n2)c1
+,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,,CID714083,COc1ccccc1-n1nnnc1SCC(=O)NC1CCCC1
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+0.0,,,,,,,0.0,,,,,,,,0.0,0.0,CID666141,Cc1ccc(-c2nn3c(-c4ccco4)nnc3c3ccccc23)cc1S(=O)(=O)N1CCOCC1
+0.0,,,,,,,,,,,,,,,,,CID1223126,CN1CCN(C(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)CC1
+,,,,,,,,,,,,,,,,0.0,CID977934,Clc1ccc(Br)cc1-c1nc(-c2cccnc2)no1
+,,,,,,,,,,,,,0.0,,,,CID859632,Cc1cc(C(=O)c2ccc(Cl)cc2)c(NC(=O)CCl)s1
+,,,,,,0.0,,,,,,0.0,,,,,CID794096,CCSc1nc2ccccc2n1CC(=O)OC
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+,,,,,,,,,,,,,0.0,,,,CID831861,Cc1cccc(NC(=O)NNC(=O)c2c(Cl)c(C)nn2C)c1
+0.0,,,0.0,,,,0.0,,,,,0.0,,,,0.0,CID655864,O=C(c1ccco1)N1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1
+,,,,,,,,,0.0,,,,,,,,CID5134529,CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nc(C)cc(C)n2)s1
+,,,,,,0.0,,,,,,,,0.0,,0.0,CID2862219,CC(=O)C1=C(C)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)C1c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2143875,Cn1cccc1CC(=O)N/N=C/c1cccs1
+0.0,,,,,,,,0.0,,0.0,0.0,,,,0.0,0.0,CID2882742,O=C1CC(N2CCC(O)CC2)C(=O)N1c1ccc(Br)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2954087,CN(C)S(=O)(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1
+,,,0.0,,,0.0,,0.0,,,,,,,,0.0,CID646702,CCOC(=O)C(C)Sc1nc2c(c(=O)[nH]c(=O)n2C)n1CCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID5002538,Cc1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1
+,,,,,,,,,,,0.0,,,,,,CID2967968,O=C(NC1CCCCC1)c1cc([N+](=O)[O-])ccc1N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID765802,O=C(Nc1ccncc1)c1ccc(-c2ccccc2)cc1
+,0.0,,,0.0,,0.0,,,,0.0,,0.0,,,,,CID652931,COc1cc2cc(CN(CCCO)S(=O)(=O)c3ccccc3)c(=O)[nH]c2cc1OC
+,,,,,,,,,,0.0,,,,,,,CID2197130,C=CCSc1nc(N)c(C(=O)Nc2ccccc2OC)cc1C(=O)Nc1ccccc1
+,,,,,,0.0,,0.0,,,,,,,,,CID2998756,COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1
+,,,,,,,,,,,,,,0.0,,,CID9548110,COc1ccc2c(c1)OC(c1ccc3c(c1)OCO3)C(OC(=O)Nc1cc(OC)c(OC)c(OC)c1)C2=O
+,,,,,0.0,,,,,,,,,,,,CID1319515,Cc1cc(=O)nc(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)[nH]1
+,,,,,,,,,,,,,0.0,,,,CID882473,COc1ccc(/C=C/C(=O)NCc2ccccn2)cc1
+,,,,0.0,,,,,,0.0,,,,,,,CID2970623,O=C(NS(=O)(=O)c1ccc(NC(=O)C2CCCO2)cc1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID659749,CC(NC(=O)NCCCC(=O)O)(C(F)(F)F)C(F)(F)F
+,,0.0,0.0,,,,,,,,,,,,,,CID693030,Nc1ccccc1SCc1cn2cccnc2n1
+,,,,,,,,,,0.0,0.0,,,,,,CID717076,CCN(CC)C(=O)CSc1nnc(-c2ccccc2)o1
+,,,,,,,,,,0.0,,,,,,,CID898925,CC(=O)Nc1ccc(N2C(=O)CCC2=O)cc1C
+,,,,0.0,,0.0,,,0.0,,,,0.0,,,,CID948750,COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccco1
+,,,,0.0,,,,0.0,,,,,,,,0.0,CID647591,CCOc1ccc2nc(NC(=O)CSc3nc4ccccc4c(=O)n3Cc3ccco3)sc2c1
+0.0,,0.0,,,0.0,,,,,,,0.0,,,,,CID3236274,Cc1ccc(C)c(Cc2c(C)nc3c(C(=O)N4CCOCC4)cnn3c2C)c1
+,,,0.0,,,0.0,,,,,0.0,,,,,,CID3240075,O=C(O)c1cccnc1SCC(=O)N1CCCCCC1
+,,,,,,0.0,,,,,,,,,,0.0,CID2948740,Cc1ccc(NC(=O)C2CCCN2S(=O)(=O)c2ccc(F)cc2)c(C)c1
+,,,,,,,,,,0.0,0.0,,,0.0,,,CID755102,c1ccc(C2(CNc3ccccn3)CCCC2)cc1
+,,,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID665257,CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21
+,0.0,0.0,,0.0,,,,0.0,0.0,,,,,0.0,,0.0,CID1301689,COc1ccccc1N1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID2891876,Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)NCc2ccncc2)cc1
+,,,0.0,,,,,,,,,,,,,,CID5393864,O=C1C=CC=C/C1=C1/C=C(C(F)(F)C(F)F)NCCN1
+,,,,0.0,,,,0.0,0.0,,,0.0,,,0.0,,CID649657,O=S(=O)(NCC1OCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+,,,,,,,,,,0.0,,,0.0,,,,CID3210724,Cc1ccc(C(C(=O)NC2CCCC2)N(C(=O)CCC(=O)Nc2cc(C)on2)c2ccccc2)cc1
+0.0,,,,,,0.0,0.0,,,0.0,,,,,,,CID3241155,O=C(C1CCC(=O)N1C1CCCCC1)N1CCN(c2ccc(F)cc2)CC1
+0.0,0.0,0.0,0.0,,,0.0,,,,,0.0,,,,0.0,0.0,CID729595,CCOc1ccccc1OCC(=O)Nc1nnc(C)s1
+,,,,,0.0,,,,,,,,,,,,CID2883796,COc1ccc(NC(=O)C2CC(=O)N(c3ccc(C)cc3)C2)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID2867844,COc1cc(OC)c(OC)cc1CN(C)C(c1ccccc1)c1nnnn1-c1ccccc1C
+,,,,,,,,,,,,,,0.0,,,CID1092014,O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccnc1
+,,,,0.0,,,,0.0,,,,0.0,,,,,CID3236377,O=C(CCNS(=O)(=O)c1cccc2nsnc12)NCc1cccs1
+,,,,,,,,,,,,,0.0,,,,CID2650204,Cc1cccc2sc(NC(=O)C3CCCN3C(=O)c3cccs3)nc12
+,0.0,,0.0,0.0,,0.0,0.0,,,0.0,,,,,0.0,,CID715136,CS(=O)(=O)NCc1ccc(C(=O)NC2CCCCC2)cc1
+,,,,,0.0,,,,0.0,,,,,,,,CID1213802,CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID1488517,Cc1cc(C)c(S(=O)(=O)c2c(C)cccc2C)c(OCC(C)C)n1
+,0.0,0.0,0.0,,,,,0.0,,,,,,,,,CID663646,COc1ccc2c(c1OC)C(=O)OC2Nn1cncn1
+,,,,,,,,,,0.0,0.0,,,,,,CID2064403,CCOc1cccc(NCc2cc3c(C(C)(C)C)[nH]n(-c4ccccc4)c-3nc2=O)c1
+,,,,,,,,,,,,,,0.0,,,CID374543,COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC
+,,,,,0.0,,,,,,0.0,,0.0,0.0,,,CID781485,Cc1nc2ccccc2n1CC(=O)N/N=C/c1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID2253984,COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccncc2)cc1
+0.0,0.0,,,,,,,,,,,,,,0.0,,CID645614,CC1=C(C(N)=O)C(c2ccc(Cl)cc2)NC(=O)N1
+0.0,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2999419,CCOc1c(Br)cc(C2NS(=O)(=O)N=C3CCCCCN32)cc1OC
+,,,,,,,,,,0.0,,,,,,,CID1480652,N#Cc1ccc(-n2nccc2-c2cnc3n(c2=O)CCS3)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID2324622,COc1ccccc1NS(=O)(=O)c1ccc(O)cc1
+,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID550273,CSc1nc(=O)c(-c2ccccc2)n[nH]1
+,,,,0.0,,,,,,,,,,,,0.0,CID663489,CCC1CCCCN1C(=O)NC(Cc1ccccc1)C(=O)O
+,,0.0,0.0,,,,,,,,,0.0,,,0.0,,CID665508,CC(C)CC1NC(=O)N(CCN2CCOCC2)C1=O
+0.0,,,0.0,,0.0,,0.0,,,,,,,,,,CID2896285,Cc1c(C)n(CC(O)CN2CCCCCC2)c2ccccc12
+,,,,,,0.0,0.0,,,,,,,,0.0,,CID781966,CCN1CCN(C2CCN(C(C)=O)CC2)CC1
+,,,0.0,,,,,,,,,0.0,,,0.0,0.0,CID653274,O=C(CSc1nnnn1C1CCCCC1)Nc1nc2c(s1)CCCC2
+,0.0,,,,,,0.0,0.0,,,,,,,,,CID617810,Cc1cc(C)c2nc3c(c(C(=O)O)c2c1)CCC3
+,,,,0.0,0.0,,,0.0,,0.0,,,,,0.0,0.0,CID2159400,COC(=O)CSc1nnc(CNC(=O)c2cccs2)n1-c1cc(OC)ccc1OC
+,,,,,0.0,,,0.0,,,0.0,,0.0,,,,CID753016,COc1ccc(OC(=O)c2ccc3nsnc3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1482920,Cc1ccc(CNC(=O)CNC(=O)c2c(C)nn(C)c2Cl)cc1
+,,,,0.0,,,,,0.0,0.0,,,,,0.0,,CID644601,O=C(O)CCC(NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)O
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID1203225,O=C(CCN1CCOCC1)NCC(=O)Nc1ccc(Br)cc1C(=O)c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID160212,CC(=O)C(Cl)C(=O)Nc1ccccc1
+,,0.0,,,,0.0,,,0.0,0.0,,,,,,,CID4399556,O=C1CCCc2c1cc(C(=O)NCCCN1CCOCC1)c(=O)n2-c1ccc(Cl)cc1
+,,,,,0.0,,,,,,,,,,,,CID1117871,COc1ccc2nc(Sc3c([N+](=O)[O-])nc(C)n3Cc3ccccc3)[nH]c2c1
+0.0,,0.0,0.0,,,0.0,0.0,,,,,0.0,,,,0.0,CID3236867,CN(C)CCNC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O
+,,,,,,,,,,,0.0,,,,,,CID607943,Cc1nc2ccccc2c2nc(N)nn12
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID2355650,Cc1cc(-c2ccccc2)nc2[nH]n(-c3ccccc3)c(=O)c12
+,,0.0,0.0,0.0,,,,,,,,,,,0.0,,CID697316,Cc1ccn2c(-c3csc(NCc4ccco4)n3)c(C)nc2c1
+0.0,0.0,0.0,0.0,,,0.0,,,,,,,,0.0,,,CID2612650,CC(C)NC(=O)CSc1nnc2sc3ccccc3n12
+,,,,,,,,0.0,,,,,,,,0.0,CID3237406,COC(=O)C(O)(NC(=O)OCc1ccccc1)C(F)(F)F
+,,,,,,,,,,0.0,,,,,,,CID4878325,CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccsc1)n2Cc1ccccc1
+,0.0,0.0,,,,,,,,,,,,,,0.0,CID3239548,COc1cccc(NS(=O)(=O)c2ccc3c(c2)n(C)c(=O)c(=O)n3C)c1
+,,,,,,,,0.0,,,,,0.0,,,,CID955160,O=C(Cn1cc(C(=O)c2ccco2)c2ccccc21)Nc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID16194397,CCN(CCNC(=O)C1CCN(S(=O)(=O)c2c(C)noc2C)CC1)c1ccccc1
+,,,,,,,0.0,,0.0,,,,,,,0.0,CID2911344,CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1
+0.0,0.0,0.0,,,,0.0,0.0,,,0.0,,,,,,0.0,CID751496,Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2ccccc21
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+,0.0,,,,,,0.0,,0.0,0.0,,0.0,,,0.0,,CID1147998,COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1
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+,0.0,,0.0,,,,,,0.0,,,,,,,,CID937190,CC(C)OC(=O)CSc1nnc(-c2ccco2)n1N
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+0.0,,,,,,,,,,,,0.0,,,0.0,,CID3238671,CC1CCCCN1C(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1
+,,0.0,,0.0,0.0,0.0,,0.0,,,,,0.0,,,0.0,CID645771,O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID228457,CCOC(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O
+,,,,,,,0.0,,0.0,,,0.0,0.0,,,,CID2565377,CCOC(=O)CCCNC(=O)COc1ccccc1C#N
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+,,,,,,,,,,,,,0.0,,,,CID1151514,COc1ccc(OCc2nnc(SCc3ccc(C(=O)O)cc3)o2)cc1
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+0.0,,,,,,0.0,,,,,,,,,,0.0,CID1076222,Cc1ccc2nc(-c3ccc(NC(=O)CN4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1
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+0.0,,,,,,,,,,,,,,,,,CID5389478,C/C(NCCCN1CCOCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O
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+,,,,,,,,,,,,,,0.0,,,CID847030,COCc1nnc(NC(=O)c2ccccc2Oc2ccccc2)s1
+,,,,,,,,,,,,,0.0,,,,CID5351121,N/C(=N\OC(=O)COc1ccc(Br)cc1Cl)c1ccccn1
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+,,,,,0.0,,,,,0.0,0.0,,,,,,CID2888438,CCOc1ccc2c3c(c(=O)oc2c1OCC)CCCC3
+,,0.0,,,,0.0,,,,,0.0,0.0,,,,,CID2567904,CCOc1ccccc1COC(=O)c1cccc(-n2cnnn2)c1
+0.0,,,,,,,,0.0,,,,,0.0,0.0,0.0,,CID2365246,O=C(COC(=O)c1ccccn1)Nc1c(Cl)cccc1Cl
+,,,,,,,,,,0.0,0.0,,,,,,CID876298,Nn1c(N2CCCCC2)nc2ccccc21
+,,,,,,,,,,0.0,,0.0,,,,,CID972528,CC(=O)c1cc(C#N)c(SCCC(C)C)nc1C
+,,,,,,,,,,0.0,,,,,,,CID676515,CNC(=O)Nc1ccccc1F
+,0.0,,,,,,0.0,0.0,,,,,,,0.0,,CID1106269,CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)N2CCOCC2)cc1
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+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID3241703,CCCCCn1c(CN2CCN(C(=O)OCC)CC2)nc2c1c(=O)[nH]c(=O)n2C
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+0.0,0.0,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID809020,CC(C)c1nnc(NC(=O)c2cccs2)s1
+,0.0,,,,0.0,0.0,,,,,,0.0,,,,,CID2998761,Cn1c(=O)c2cc(NCc3ccccc3)nnc2n(C)c1=O
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+,,0.0,,,,0.0,,0.0,0.0,,,,,0.0,,,CID568400,Cc1nnc(-c2ccccc2)c[n+]1[O-]
+,,,,,0.0,,,,,,,,,,,,CID711535,COc1ccccc1/C=C1/C(=O)C2CCN1CC2
+,0.0,,,,,,,,,,0.0,,,,0.0,,CID754209,COc1ccc(-c2c(C#N)c(N)nc3c2CCCC3)cc1OC
+0.0,,,,,,0.0,0.0,,,,,,,,,,CID3244259,CCOC(=O)N1CCN(C(=O)C2CCCN(c3ncnc4c3sc3cccc(F)c34)C2)CC1
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID815333,N#Cc1cnn(Cc2ccc(Cl)cc2)c1N
+,,0.0,,,,,,,,,,0.0,,,0.0,,CID804430,COC(=O)C1=C(C)N(c2ccc(S(N)(=O)=O)cc2)C(=O)C1
+,,,,,,,,,0.0,0.0,,,,,,,CID1183863,COc1ccc(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)cc1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID848640,Cc1sc2ncnc(SCC(=O)NC3CC3)c2c1C
+,,,,,,,,,,,,,0.0,,,,CID4614751,CCS(=O)(=O)N1CCC(C(=O)NCCN2CCOCC2)CC1
+,,,,,,,,0.0,,,,,,,,,CID2060443,Cc1c(C=O)c2ccccn2c1C(=O)c1ccccc1
+,0.0,0.0,,,,0.0,,,,,,0.0,,,,,CID3244565,CCOC(=O)N1CCN(C(=O)c2cnc(Nc3ccccc3OC)c3ccccc23)CC1
+,,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID2712694,CN1CCC(NC(=O)Cc2c(F)cccc2Cl)CC1
+0.0,,0.0,,,,,,0.0,,,0.0,,0.0,,,0.0,CID2999864,O=C(CCOc1ccccc1)NCC(c1ccco1)N1CCCCC1
+0.0,0.0,0.0,,,,,,0.0,,,,,,,,,CID2999957,Cc1cc(C(=O)COc2nncc3ccccc23)c(C)n1C
+,,,,,,,,,0.0,0.0,,,,,,,CID1246088,O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cccnc1
+,,,,,,,,,,,,,,0.0,,,CID783729,Cc1ccc(OCc2nc(-c3cccnc3)no2)cc1C
+,,0.0,,0.0,,0.0,,,,,,,0.0,,,,CID1252955,O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCCCC2)cs1
+,,,,,,,,,,,,,0.0,,,,CID2312168,O=C(/C=C\c1ccco1)Nc1nc(-c2ccc3ccccc3c2)cs1
+,,,,,,,,,,,,,,0.0,,,CID814784,O=C(COc1ccccc1)Nc1ccncc1
+0.0,,0.0,,,,,,,,,,0.0,,0.0,,,CID2913510,CCOC(=O)C(Oc1ccc(=O)n(-c2ccccc2)n1)C(C)=O
+,0.0,,0.0,,0.0,,,,,,,,,,,,CID2331204,Cc1cc(-c2cc(N)n(-c3ccccc3)n2)c(C)n1C1CCCC1
+,,,,,0.0,,,,,,,,,,,,CID7066452,Cc1nc(SCc2cccc(Oc3ccccc3)c2)n[nH]1
+,,,,,,,,0.0,,,,,,,,,CID2677768,COc1cc(OC)cc(C(=O)Nc2ccccc2N2CCOCC2)c1
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID2999649,CC/N=C1\Cn2c(nc3scc(-c4ccccc4)c3c2=O)CN1CC
+,,,,,,,,,,0.0,,,,,,,CID734355,Cc1c(C(N)=O)sc2ncn(CC(=O)OC(C)C)c(=O)c12
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+,,,,,,,,,0.0,,,,,,,,CID3245729,COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl
+,,,,,,,,,,,,,,0.0,,,CID1473229,Fc1ccc(-c2ccnc3nc(N4CCN(c5ccccc5)CC4)nn23)cc1
+0.0,,,,,,,,,0.0,,,,,,,0.0,CID765404,Cn1cccc1C(=O)NS(=O)(=O)c1ccccc1Cl
+,,,,,,,,,,,,,,0.0,,,CID2310255,COc1ccc(/C=N/OCC(=O)N(Cc2ccc(OC)cc2)c2ccccc2C(=O)O)cc1
+,,,,,0.0,,,,,,,,,,,,CID5348527,COc1ccccc1-c1coc2c(CN3CCC(C)CC3)c(O)ccc2c1=O
+,,,0.0,,,,,,,,,,,,,,CID649259,CN(c1ccccc1)C(c1ccc(F)cc1)c1nnnn1C1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID649071,CCOCc1nnc(NC(=O)COC)s1
+,,,,,,,,,,,,,0.0,,,,CID1333472,COc1ccc(S(=O)(=O)N(CC(=O)NC2CC2)c2ccc(C)cc2)cc1
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+,,,,,,,,,,,,,,0.0,,,CID900108,O=C(Cn1cnc2nc3n(c2c1=O)CCC3)NCc1ccccc1
+,,,,0.0,,,,,,,0.0,,,,,,CID657455,CCOc1ccc(N2C(=O)CC(N)C2=O)cc1
+,,,,,0.0,,,,,,,,,,,0.0,CID5389644,CCN(CC)CCCN1C(=O)C(=O)/C(=C(/O)c2ccc3c(c2)CC(C)O3)C1c1cccnc1
+0.0,,,,,,,,,,,,,,0.0,,,CID5389360,COc1ccc(/C(O)=C2\C(=O)C(=O)N(c3cc(C)on3)C2c2cccc(OC)c2OC)cc1C
+0.0,0.0,,,,,,,,,,,0.0,,,,,CID663159,CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCc1ccccc1
+0.0,,,,,,,,,,,,,,,,1.0,CID5308864,O=C(c1ccc(Br)o1)N1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
+,,,,0.0,,,,,,,,,,,,,CID666070,FC(F)(F)c1nnc2sc(-c3cccs3)nn12
+,,,,,,,,,0.0,,,,,,,,CID2732615,COc1ccc(N2C(=O)CC(N3CCOCC3)C2=O)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2448221,Cn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1ccncc1
+,,,,,,0.0,,,,,,0.0,,,0.0,,CID5309122,CCC1CCCCN1CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O
+0.0,,0.0,,,,,,,,,,,,,0.0,0.0,CID3236063,Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCc2ccco2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2100018,c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1
+,,,,,,0.0,,,,,,0.0,,,,,CID647570,CN(C(=O)c1cc2sccc2n1C)C1CCCCC1
+,,,0.0,,,,,,,,,,,,,,CID5310484,Cc1nc(SCc2c(F)cccc2Cl)c2c(=O)n(C)c(=O)n(C)c2n1
+,,,0.0,,,,,,,,,,,,,,CID667041,Cn1c(=O)[nH]c(=O)c2[nH]c(CN3CCN(C(=O)c4ccco4)CC3)nc21
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+,0.0,,,0.0,,,,,,,0.0,,,,,,CID3245391,Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)cc1
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+,,,,,,0.0,,,,,,,,,,,CID1893,O=[N+]([O-])c1cccc2cn[nH]c12
+0.0,,0.0,,,,0.0,,,0.0,,,0.0,,,,,CID666788,CCCc1cc(=O)n2[nH]c(SCc3ccccc3)nc2n1
+,,,,,,,,,,,,,,0.0,,,CID2960759,COc1ccc(NC(=O)c2ccc(NCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1
+,,,,,0.0,,0.0,,,,,0.0,,,,,CID5308667,CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1cccc2cccnc12
+,,0.0,,,,0.0,0.0,,,0.0,,,,,,,CID2839116,O=C(O)CCC(=O)Nc1ccc2c(c1)oc1ccccc12
+,0.0,0.0,,0.0,0.0,0.0,,,,,,,,,0.0,0.0,CID3000140,Cn1cnnc1SC(C(=O)c1ccccc1)c1ccccc1
+0.0,,,,,,,,,,,,,,,,,CID3239881,Cc1cccn2c(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)n(C)c3nc12
+,,,,0.0,,,,,,,,0.0,,,,,CID671917,CCOC(=O)c1c(NC(C)=O)sc2c(O)cccc12
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3243866,CCn1c(SCC(=O)N2CCOCC2)nc2c(c1=O)SC(C)C2
+0.0,,,,,,0.0,,0.0,,0.0,,0.0,,,,0.0,CID648704,CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCCC(=O)Nc1ccccn1
+,0.0,,0.0,,,,,,,,,,,,,,CID659325,CN(C)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2
+,,,,,,,,0.0,,,,,,,0.0,,CID890738,CCc1c(C)c2ccc(OCC(=O)OC)cc2oc1=O
+,,,,,0.0,,,,,,,,,,,,CID877430,O=C(Nc1ccccc1CO)c1cccc(F)c1
+,,,,,,,,,,,,,,0.0,,,CID4550256,Cc1ccc(CCN2C(=O)CCC2(C)C(=O)NCc2cccnc2)cc1
+,,,,,,,,,0.0,,,,,,,,CID812203,Cc1ccc(Cl)cc1NC(=O)CSC(N)=O
+,,,,,,,,0.0,,,,,,,,,CID2931634,O=C(c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1
+,,,,,0.0,,,,,,,,,,,,CID11958630,O=C(NCc1ccccc1)C12CN(Cc3ccccc3)CC1C(c1ccc([N+](=O)[O-])cc1)=NO2
+,,0.0,,,,,,,,,,,,,,,CID653972,COCCN(C(=O)CCC(=O)Nc1ccccn1)C(C(=O)NC1CCCC1)c1ccc(OC)cc1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID2124522,CSc1ncccc1C(=O)OCn1nnc2ccccc2c1=O
+,,,,,,,0.0,,,0.0,,,,,,,CID648546,COCCNC(=O)Cn1nc(-c2ccccc2OC)ccc1=O
+,,,,,,,,,,,,,,,0.0,,CID5307347,CCn1cc(C(=O)NCC2CCCO2)c(=O)c2cc(S(=O)(=O)N(C)C)ccc21
+,,,,0.0,,0.0,,,,,,0.0,,,,0.0,CID3113706,COc1ccc(C(O)c2nc3ccccc3n2C)cc1OC
+,,,,,,,,,,,0.0,,,,,,CID2562079,O=C(O)CSc1ncnc2c1oc1ccccc12
+,,0.0,0.0,,,,0.0,,,0.0,0.0,,,0.0,,,CID2947802,CCOC(=O)c1cc(NC(=O)N2CCOCC2)c(C)nc1C
+,,,,,,,,,,,,,,0.0,,,CID767824,Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID646782,CC(=O)Nc1ccccc1-c1ccc(C)o1
+,,,,,,,,,,,,,0.0,,,,CID2105853,Cc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1C
+,,,,,,,,,,,,,0.0,,,,CID800829,O=Cc1cn(Cc2ccccc2[N+](=O)[O-])c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID5216896,Cc1ccc(NS(=O)(=O)c2ccc(N/N=C/c3ccncc3)c([N+](=O)[O-])c2)c(C)c1
+,,,,,,0.0,,,,,,,,,,,CID655652,COc1ccc(CNC(=O)Cn2nc(-c3ccc4c(c3)OCCO4)ccc2=O)cc1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID666932,O=C(O)c1[nH]c2ccccc2c1NS(=O)(=O)Cc1ccccc1
+,,,,,,,0.0,0.0,,,,,0.0,,,0.0,CID758704,COC(=O)C1=CN(C)C=C(C(=O)OC)C1c1ccsc1
+,0.0,,,,,,,,,,,,,,,,CID2955688,O=C(CC1NC2CCCCC2NC1=O)Nc1ccc2c(c1)OCO2
+,,,,,,,,0.0,,,0.0,,,,,,CID3155114,CCC(Oc1ccccc1)C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2
+,,,,0.0,,,,0.0,,,,,,0.0,,,CID2221983,Cc1csc(NC(=O)CSc2nc(C)cs2)n1
+,,,,,0.0,,,,,,,,,,,,CID9551270,Cc1ccc(CNC(=O)C2CCC(CNc3c(N4CCOCC4)c(=O)c3=O)CC2)cc1
+,,,,,,0.0,,,,,,,,,,,CID5308086,O=C1CC(c2ccccc2)C(C(=O)Nc2ccccc2F)N1
+,,,,,,,,,,,,,0.0,,,,CID4036655,C/C(=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1
+,,,,,,0.0,,,,,,,,,,,CID648485,O=C(Cn1nc(Cl)nc1Cl)N1CCOCC1
+,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID939027,Cc1ccc(-n2nnnc2SCC(N)=O)c(C)c1
+,,0.0,,0.0,,0.0,0.0,,,,,0.0,,,,0.0,CID2139962,Cc1cc(=O)nc(SC/C=C/c2ccccc2)[nH]1
+,,,,,,,,,,,,,,,0.0,,CID100750,CC1(C)CC2(CC(C)(C)NC(=O)N2)NC(=O)N1
+,0.0,,,,,,,,,0.0,,,,,,,CID659414,Cc1cc(C)n(-c2ncnc3sc(C)c(C)c23)n1
+,,,,,0.0,,,,,,,,,,,,CID1264241,CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
+,,,0.0,,,0.0,,,0.0,,0.0,,,,,,CID653133,Cc1cccc(NCc2ccccc2O)n1
+,,,,,,,,,,,,,,0.0,,,CID703014,Nc1nc(NC(=O)c2ccc(Cl)cc2)nn1-c1ccccc1
+0.0,,0.0,,,,0.0,,,,0.0,,,,,0.0,,CID654214,Cc1ccc2cc(CN(Cc3cccs3)Cc3nnnn3CC3CCCO3)c(=O)[nH]c2c1C
+,,,,,,,,,0.0,,,,,,,,CID6261005,CCc1ccc(C(=O)/C=C/c2cnn(C)c2C)s1
+,,,,0.0,,,,,,,,,,,,,CID1537115,Cc1c(NC(=O)c2c(F)cccc2F)c(=O)n(-c2ccccc2)n1C
+,,,,0.0,,,,,,,0.0,0.0,,,,0.0,CID876225,CCCC(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1474666,COc1ccc(S(=O)(=O)n2oc(=O)cc2-c2ccccc2)cc1OC
+,,,,,,,,0.0,,,,,,,,,CID742882,COc1ccc(OC)c(S(=O)(=O)n2ccnc2C)c1
+,,,,,,,,,,,,,,0.0,,,CID7284848,CC(=O)N/C(=C\c1ccccc1)C(=O)OCC(=O)NC1CCCC1
+,,,0.0,,0.0,,,,,,0.0,,,,,,CID660008,CCN1C(=O)CC(N2CCN(c3ccc(OC)cc3)CC2)C1=O
+,,,,,,,,,0.0,,,,,,,1.0,CID5309751,O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1
+,,,0.0,,,,0.0,0.0,,,,,,,,,CID660627,CCCCOc1ccc(CSC(CC(=O)O)C(=O)O)cc1
+,,0.0,0.0,,,0.0,,,,,,,,,0.0,,CID661603,Cc1c(C2Nc3ccccc3NC3=C2C(=O)CC(C)(C)C3)cnn1C
+,,,,,,,,,0.0,,,,,,,,CID2599699,Cc1cccc(NC(=O)c2ccccn2)c1C
+,,,,,,,,0.0,,,,,,,,,CID2966907,CC(=O)NC1(C(F)(F)F)C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccco1
+,,,,,0.0,,,,,,,,,,,,CID585183,COC(=O)CCC(=O)Nc1c(C)cc(C)cc1C
+,,,0.0,,,,0.0,,,0.0,,,,,,,CID244418,COc1ccc(C(=O)C2CCCCC2=O)cc1
+,,,,,,,,,0.0,,,,,,,,CID695407,CSc1cccc(NC(=O)c2cnccn2)c1
+,,,,0.0,,0.0,,,0.0,,,,,0.0,,,CID2289798,COc1ccccc1N(CC(=O)NCCSC(C)(C)C)S(C)(=O)=O
+,,,0.0,,,,,,,,,0.0,,,,,CID652824,O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)NCc1ccccc1
+,,0.0,0.0,,,,,,,,,,,0.0,,,CID657597,CCOC(=O)COc1nc(N(C)C)nc(N(C)C)n1
+,,,,,,,0.0,,,,,,,,,0.0,CID3241880,O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+0.0,,0.0,,,,,,,,0.0,,,,,,,CID667411,Cc1ccc(Cn2c(CN3CCN(C(=O)c4ccco4)CC3)nc3c2c(=O)n(C)c(=O)n3C)cc1
+,,,,,,0.0,,,,,,,,,,,CID667179,O=C1c2ccccc2C(=O)C12Cc1ccccc1N1CCN(c3ccccc3)CC12
+,,,,,,0.0,,,,,,0.0,,,,,CID2925819,COc1ccccc1N1C(=O)C2C3C=CC(C3)C2(C)C1=O
+,,,0.0,0.0,,0.0,,,0.0,,,,,,,,CID626181,Cc1[nH]n(-c2ccccc2)c2nc(C(F)(F)F)cc(=O)c1-2
+,,,,,,,0.0,0.0,,,0.0,,0.0,0.0,0.0,,CID935156,CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCOCC1
+0.0,,,,,,,,0.0,,,,,,,,,CID1093756,O=C(c1cc(-c2ccccc2)on1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
+,,,0.0,0.0,,,,0.0,,,,0.0,0.0,,,0.0,CID1306381,Cc1ccc(S(=O)(=O)N(C)c2ccc(NS(C)(=O)=O)cc2)cc1
+,,0.0,,0.0,,,0.0,,,,,0.0,,,,0.0,CID685797,CC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1
+,0.0,0.0,,,,,,0.0,,,,,,,,,CID2100664,CCOC(=O)c1cc(-c2ccc(C)o2)nn1CCC#N
+0.0,,,,,,0.0,,0.0,,0.0,,,,,,,CID2961570,O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(Br)cc2)C1
+,,,,,0.0,,,,,,,,,,,,CID2916072,O=S(=O)(c1ccccc1)N1N=C(c2cccs2)CC1c1ccc(F)cc1
+,,,,,,,0.0,0.0,,,,0.0,0.0,,0.0,,CID650389,CC(C)(C)c1ccc2c(c1)OCC(C(=O)O)O2
+0.0,,,,,,,,,,,,,,,0.0,,CID5308615,CC1CCc2nn(CC(=O)Nc3c(F)cc(F)cc3Br)cc2C1
+,,,0.0,0.0,,,,0.0,,,,,,,,,CID2571541,COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nnc(-c2ccccc2Cl)n1C
+,,,0.0,,,0.0,,,,,,,,,0.0,,CID620319,COc1cccc(-c2cn3nc(C)c(C)nc3n2)c1
+,,,,,0.0,,,,,,,,,,,,CID3141730,COc1cc(C2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc(OC)c1OC
+,,,,,,,,,0.0,,,,,,,,CID972463,CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2
+,,,,,,,,,,,,,0.0,,,,CID5738182,N#C/C(=C/c1cccn1-c1cccc(C(=O)O)c1)c1ccc(Cl)cc1
+,,,,,,,,,0.0,,,,,,,,CID4965789,NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)n1C1CCCCCC1
+,,0.0,,,,0.0,,,,,0.0,,,,,,CID836140,O=C(Nc1cccc(O)c1)c1ccccc1
+0.0,,,,,,,,0.0,0.0,0.0,,,,,,0.0,CID664611,COc1ccc(-c2nc(C#N)c(NCCc3ccccc3)o2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID829781,Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccnc1
+0.0,0.0,,0.0,0.0,0.0,,,0.0,0.0,,,,0.0,,,,CID1328705,Cc1sc2nc(SCC(=O)NCc3ccco3)n(C)c(=O)c2c1C
+,,0.0,,0.0,,,0.0,,0.0,,,,,,,0.0,CID2093934,Cn1cccc1C(=O)NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N
+,,,,0.0,,0.0,0.0,,,,,,0.0,,,,CID660516,COc1cccc(C(=O)c2sc(NC(C)C)nc2N)c1
+,,,,,,,,,,,,,0.0,,,,CID2385098,Cc1ccc(/C=N/NC(=O)CCn2nc(C)cc2C)c(C)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID1043011,COc1ccccc1C(=O)Nc1cc2cc(Br)ccc2oc1=O
+0.0,0.0,,,0.0,,,0.0,,0.0,,,,,,,,CID1245352,O=C(Nc1nnc(C(F)(F)F)s1)c1cccnc1
+0.0,,0.0,,,,,,,0.0,,,,,,,,CID1245905,CCOc1ccccc1N1CCN(C(=O)c2cc(C)oc2C)CC1
+,,,,0.0,0.0,,0.0,,0.0,,,,,,0.0,0.0,CID3238549,COc1ccc(OC)c(CNC(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)c1
+,0.0,,,0.0,,,0.0,0.0,,,,,,,,0.0,CID3242977,Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2n1C
+,,,,,,,,,,,,,0.0,,,,CID946226,CN(CC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1)CC1OCCO1
+0.0,,,,,,,,0.0,,,0.0,,,,,0.0,CID664471,CCOc1ccccc1C(=O)N(C)Cc1cc2cc(OC)ccc2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID7230574,COC(=O)c1ccccc1OCC(=O)N1CCN(c2ccc(OC)cc2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1731935,CCOCC(=O)Nc1cc(Cl)c(OC)cc1OC
+,,,,,,,,,,,,,,0.0,,,CID2094544,CCOCCCNC(=O)/C(C#N)=C/c1cc(OC)c(O)c([N+](=O)[O-])c1
+,,,,,,,,,,0.0,,,0.0,,,,CID9550706,CCOC(=O)c1cc(-c2ccc(C)cc2)n(CCC(=O)NC(C)CC)c1C
+,,,,,,,,,,0.0,,,,,,,CID4770610,Cn1cc(C2NC(=O)c3c(sc4c3CCCC4)N2)c2ccccc21
+,,,,,0.0,,,,,,,,,,,,CID808756,O=C(CCc1ccccc1)Nc1cc(C(=O)O)cc(C(=O)O)c1
+,,,,,0.0,0.0,,0.0,,0.0,,0.0,0.0,,,,CID898935,COC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12
+0.0,0.0,,,0.0,0.0,,0.0,,,,,,,,,,CID658967,O=C(NC1CCCCC1)N1CCS/C1=N\c1ccccc1
+,,,,0.0,0.0,,,,,,0.0,,,,,,CID3240136,CCOC(=O)CSC1=C(C#N)C(c2sccc2C)CC(=O)N1
+,,,,,,0.0,,,,,,,,,,0.0,CID657879,CCOC(=O)C(NCc1ccccn1)(NC(=O)c1cccnc1)C(F)(F)F
+,,,,,,,,,,,,,0.0,,,,CID1478662,O=c1nc(-c2ccccn2)[nH]c(C(F)(F)F)c1Br
+,,,,,,,,,,,,,,0.0,,,CID3370345,CCOC(=O)C1CCCN(C(c2ccccn2)c2c(C)[nH]c3ccccc23)C1
+0.0,0.0,,,,,0.0,,,,,,0.0,0.0,,,,CID647355,CCOC(=O)COc1ccc(-c2nnc(-c3ccccc3)o2)cc1
+,0.0,,,,,,,,,0.0,,,,,0.0,0.0,CID647798,CCCn1c(SCC(=O)NC(C)(C)C)nnc1C(C)C
+0.0,0.0,0.0,0.0,,,,0.0,,,,,,,0.0,,0.0,CID2109482,O=C(COn1nnc2ccc(Cl)cc21)NCc1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID2224295,N#CCCN(Cc1ccccc1)C(=S)NC(=O)c1ccccc1
+0.0,0.0,0.0,0.0,,,,,,0.0,0.0,,,,,,0.0,CID644977,Cc1cccc2cc(CN(Cc3ccco3)C(=O)N3CCCC3)c(=O)[nH]c12
+,,,,,,,,,,,0.0,,,,,,CID774672,Cc1ccc(C(=O)N/N=C/c2cccn2C)cn1
+,,,,,,,,,,,,0.0,,,,,CID101172,Cn1cnc2c1c(=O)n(CC(O)CO)c(=O)n2C
+,,,,,,,,,,,,,,0.0,,,CID288577,O=C1c2ccccc2C(=O)N1CCc1c[nH]c2ccccc12
+,,,,,,,,,0.0,0.0,,,,,,0.0,CID3236596,COc1ccc(-c2c(C)nn3c(N4CCC(C(=O)NCCN(C)C)CC4)cc(C)nc23)cc1OC
+0.0,,0.0,,0.0,,,,0.0,,0.0,0.0,,,0.0,,0.0,CID3240736,CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3Cl)o2)cc1
+,,,,0.0,0.0,,0.0,,0.0,,,0.0,,,0.0,0.0,CID647704,COC(=O)CN(C(=O)CSc1nnc(-c2cccc(OC)c2)o1)c1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID4882391,CCOc1ccc(N2CC(C(=O)NCc3ccc(C)n3C)CC2=O)cc1
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+,0.0,,,0.0,,,,,0.0,,0.0,0.0,,,,,CID987254,Cc1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccccc2)o1
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+,0.0,,,,,,,,,0.0,,,,,,,CID5310103,COc1ccc(-c2nnc3ccc(SCC(=O)N4CCCCC4)nn23)cc1OC
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+,0.0,,,0.0,,,,,0.0,,,,,,,,CID3245126,COc1nc(N2CCCC2)nc(-n2cc(-c3ccccc3)nn2)n1
+,,,0.0,,0.0,,0.0,,,,,,,,,,CID3236442,COc1ccccc1-c1cc(C(=O)NCc2ccc(F)cc2)no1
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+,,,,,0.0,,,,,,,,,,,,CID901273,CCCn1c(CC)nc([N+](=O)[O-])c1Sc1ccc(F)cc1
+,,,,,,,,,,,0.0,,,,,,CID3236012,CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n4cccc(C)c4nc3n2C)C1
+,,,,,,,,0.0,,,0.0,,,,,,CID318781,Cc1ccc(S(=O)(=O)NC2CCC(C(=O)O)CC2)cc1
+,,,,0.0,,,,,,,,,,,,,CID3238009,O=C(NCCN1CCOCC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2
+,,,,,,,,,,,,,,0.0,,,CID1956043,Cc1[nH]c(N2CCc3ccccc3C2)nc(=O)c1Cc1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1182987,Cc1cccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)c1
+,0.0,,0.0,,,,,,,,0.0,,,,,0.0,CID3238708,Cc1cccc(NC(=O)CN(C)S(=O)(=O)c2cnc[nH]2)c1
+,,,,,,0.0,0.0,0.0,,0.0,0.0,,,,0.0,,CID2221777,CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1
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+,,,,,,,,,,,,,0.0,,,,CID593546,CCOC(=O)C1CCN(S(=O)(=O)c2ccc(CC)cc2)CC1
+,,,,,,,,0.0,0.0,,,,,0.0,,,CID571558,COC(=O)c1ccccc1OC(=O)c1cccnc1
+,,,,0.0,,,,0.0,,0.0,,,,,,,CID2231979,O=C1c2ccccc2C(=O)N1CCCCCc1nc(-c2ccccc2)no1
+,,,0.0,,,,,,0.0,,,0.0,,,,,CID22780,Cn1c(=O)c2c(nc(NCCO)n2C)n(C)c1=O
+0.0,0.0,,,,,0.0,,,,,,,,,,,CID5389039,C/C(Cl)=C\Cn1c(=O)c2c(nc3n2CCS3)n(C)c1=O
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+,,0.0,,,,,,,,,0.0,,,,,,CID5149816,COc1ccc(OC)c(NC(=O)C2C3CCC(C3=C(C)C)C2C(=O)O)c1
+,,,,,,,,,,,,,,0.0,,,CID738863,O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(Cl)cc1
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+,,,,,,,,,,,,,,,1.0,,CID2908342,C=CCOc1ccc(/C(CC)=N/O)c(OC)c1
+,,,,,,,,,,,0.0,,,,,,CID4202821,O=S(=O)(c1ccccc1)N1CCC(O)(CSc2ccc(Cl)cc2)CC1
+,,,,,,,,0.0,,0.0,,,,,,,CID726555,CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1
+,,,,,,,,,,,,,,0.0,,,CID3237978,CCOC(=O)N1CCN(C(=O)c2cc3sccc3n2C)CC1
+,,,,,0.0,,,,,,,,,,,,CID5347956,COc1ccccc1N1CCN(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1
+,,,,,,,,,,,,,,0.0,,,CID4208289,CCOc1ccc(NC(=S)NC(C)C(c2ccccc2)N2CCN(C)CC2)cc1
+,,,,0.0,,,,,0.0,,,0.0,,,,,CID2997944,CC(=O)N1c2ccccc2C(=O)C1N1CCCCC1
+,,,,,,,0.0,,,,,,,0.0,,,CID83609,Cc1cc(=O)cc(C)[nH]1
+,,,,,0.0,,,,,,,,,,,,CID1479834,CSc1nc(Oc2ccc(F)cc2)c2ccccc2n1
+,,,,,,,,,,0.0,,,,,,,CID2965112,CC(NC(=O)CCC1COc2ccccc2O1)c1ccccc1
+0.0,,,,,,0.0,,,,,,,,,,0.0,CID663257,Cn1c(NCCCN2CCOCC2)nc2c1c(=O)n(Cc1ccc(Cl)cc1)c(=O)n2C
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+,,,,,0.0,,,,,,,,,,,,CID5589783,COc1ccc(CCNC(=O)C2=C/C(=C3/C=CC(C)=CC3=O)NN2)cc1OC
+,,,0.0,,,,,,,,,,0.0,0.0,,0.0,CID749802,CCN(CC)C(=O)Oc1ccc(Cl)c2ccccc12
+,,,0.0,,,,,0.0,,,0.0,,,,,0.0,CID1192524,CCOc1ccccc1OCC(=O)Nc1ccc(N2CCCCC2)cc1
+,,,,,,0.0,,,,,,,,,,0.0,CID1289825,COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1CNC(=O)CN1CCOCC1
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+,,,,0.0,,,,,,,,0.0,,,,,CID666548,Cc1ccnc(SCCn2c(N3CCN(C)CC3)nc3c2c(=O)[nH]c(=O)n3C)n1
+0.0,,0.0,,,,,,,,,,0.0,,,,0.0,CID2865233,CC(O)c1c(OCc2ccccc2)ncnc1OCc1ccccc1
+,,,,,,,,,,,,,,,0.0,0.0,CID660568,Cc1cc(=O)oc(C)c1C(=O)NCC1CCCO1
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+,,0.0,,,,,,,,,0.0,,,,,,CID654770,c1ccc(Oc2nc(NCc3ccco3)nc(NCc3ccco3)n2)cc1
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+,0.0,,,,,,0.0,,,,,,,,0.0,,CID268350,Cc1cc(=O)n2c3c(cccc13)CCC2
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+0.0,,,,0.0,,,,,,,0.0,0.0,0.0,,0.0,0.0,CID1246991,Cc1noc(C)c1C(=O)Nc1sc(C)c(-c2ccccc2)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID665697,CCOC(=O)CSc1nnc(C(NC(=O)OC(C)(C)C)C(C)C)o1
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+0.0,,0.0,,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,0.0,CID1313776,COCc1nnc(SCC(=O)NCc2ccccc2)n1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID5740525,COC(=O)c1ccc(COc2ccc(/C=C(\C#N)c3nc4ccccc4[nH]3)cc2OC)o1
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+,,,0.0,,0.0,0.0,,,,,,,,,0.0,,CID645584,O=C(O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1
+,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,,0.0,,,CID664916,O=C1CCCc2nc(NCc3ccco3)ncc21
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+,,,,,,,,,,,,,,0.0,,,CID3105729,COC(C(=O)N/N=C(\C)CC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID886459,CC(=O)OC1=Cc2c(ccc3ccc(=O)oc23)OC1(C)C
+,,,,,,,,,,,0.0,,,,,,CID573291,Cc1occc1C(=O)Nc1cccnc1
+,0.0,0.0,,0.0,,,,,0.0,,,0.0,,,,0.0,CID1927286,COc1ccc(C(=O)/C=C/Nc2cccc(C)n2)cc1OC
+,,,,,0.0,,,,,,,,,,0.0,,CID2158923,CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3OC)o2)cc1
+,0.0,0.0,,,,,,,,0.0,,,,,,,CID3768472,CCCCSCc1[nH]c(=O)[nH]c1C(=O)CCCCC(=O)OCC
+,,,0.0,,,,,,,0.0,,,,,,0.0,CID2975190,CC1CCCC(C)N1S(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)N2CCOCC2)cc1
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+,,,,,,,,,0.0,,,,,,,,CID3195654,NC(=O)c1nsc(C(=O)N(CC(=O)NCc2ccco2)c2ccccc2F)c1N
+0.0,,,,0.0,,,,,,0.0,,,,,0.0,,CID2879747,CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccco3)c(=O)n2C1c1cccc(OC)c1
+,,,,,,,,0.0,,,,0.0,,,,,CID2569168,CCCc1cc(=O)nc(SCC(=O)N(C)CC(=O)Nc2ccccc2CC)[nH]1
+,0.0,,,,,,,,,,,0.0,,,,,CID4637181,CCCCNc1cc(=O)n(C)c(=O)[nH]1
+0.0,,,0.0,,,,,,,0.0,0.0,,,,,,CID664386,Cn1nc(-c2ccc(OCC(=O)N3CCN(Cc4ccccc4)CC3)cc2)c2ccccc2c1=O
+,0.0,,0.0,0.0,,,,,,,,,,,0.0,,CID649198,O=C(CCn1nnc(-c2cccs2)n1)NC1CCCCC1
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+,0.0,,,,,,,,,0.0,,,,,0.0,,CID3236750,Cc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12
+0.0,0.0,,,0.0,0.0,,0.0,,,,,0.0,,,,,CID1537484,OCc1cs/c(=N\c2ccccc2)n1-c1ccccc1
+0.0,,,,0.0,,,,,,,,0.0,0.0,,,,CID5038238,CCSc1nnc(N2C(=O)CC(c3ccsc3)C3=C2CC(C)(C)CC3=O)s1
+,,,,,0.0,,,,,,,,,,,,CID2835703,O=C1c2ccccc2C(=O)C1(Nc1ccccc1)c1ccc([N+](=O)[O-])cc1
+,,,,,,,,,0.0,,,,,,,,CID3212940,CCCCn1nnnc1SCC(=O)N1CCCC1
+,,,,,,0.0,,0.0,,0.0,,,,,0.0,0.0,CID2193127,COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1
+0.0,,0.0,,,0.0,0.0,,,,,,,,0.0,,,CID3239509,Cc1cccc(Cn2cnc3c(nnn3Cc3ccc(Cl)cc3)c2=O)c1
+,,,,,,0.0,,,,,,,,,,,CID3239390,COc1ccc(C2C(C(=O)NCCN3CCOCC3)c3ccccc3C(=O)N2C2CCCCC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2366802,CC(C)CNc1c(N)n(CC(C)C)c(=O)[nH]c1=O
+,,,,,,,,,,,,,0.0,,,,CID2365381,O=C(COC(=O)c1ccc(Cl)nc1)NCc1cccs1
+,,,,,,,,,,0.0,,,,,,,CID1361981,CCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCC4
+,,,,,0.0,,,,,,,,0.0,,,,CID3244838,Cc1cc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3ccccc32)no1
+,,,,,0.0,,,,,,,,,,,,CID875310,O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccccc1F
+,,,,,,,,0.0,,,,,,,,,CID64127,Cn1c(=O)c2c(nc(Br)n2C)n(C)c1=O
+0.0,,,0.0,,,0.0,,,,,0.0,,,,,0.0,CID659702,O=C(Nc1ccccc1)N(C1=NCCC1)c1ccc(OC(F)F)cc1
+,,,,,,,,,,,,,,0.0,,,CID881003,Cc1ccc(NC(=O)Nc2nnc(-c3ccncc3)s2)cc1
+,0.0,,,,0.0,,,,0.0,0.0,,0.0,,,,,CID662113,CCNC(=O)CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID888377,CC(C)(C)N(Cc1ccccc1)C(=O)c1ccc(Br)o1
+,0.0,,,,0.0,,0.0,,,,0.0,0.0,0.0,,,,CID666794,COc1cc2c(cc1OC)CN(C(=O)c1cccs1)CC2
+,,,,,0.0,,,,,,,,,,,,CID1327896,O=S(=O)(Nc1cccc(CCc2ccccn2)c1)c1ccc2ccccc2c1
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+,,,,,,,,0.0,,,,,,,,,CID2925292,O=C(CCS(=O)(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2
+,0.0,0.0,0.0,0.0,0.0,,,,,0.0,,,,,,0.0,CID661784,Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1
+,,,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,CID2950114,CCOc1cccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)c1
+,,0.0,,0.0,,,,,,,,,,,,,CID649088,COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccc(OC)c(OC)c3)o2)c1
+,,,,,,,,,,,,,,0.0,,,CID5100919,O=C1CCC/C(=N\NC(=O)NC2CCCCC2)C1
+,0.0,,,0.0,,,,,,,,,,,,,CID3244860,COc1cc(C2C(=O)N(C3CCCC3)CC(=O)N2Cc2ccco2)ccc1OC(C)C
+,0.0,0.0,,,,,0.0,,,,,0.0,,,,,CID3590596,COc1nc(NC(C)(C)C)nc(Oc2ccc(=O)n(C)n2)n1
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+,,,,,,,,,,,,,,0.0,,,CID1106225,O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccccc1
+,,,,0.0,0.0,,,,,,,,,,,,CID667092,COc1ccc2c(c1)CC1(CN2C)C(=O)NC(=O)N(CCc2ccccc2)C1=O
+,,,,,,,,,,,0.0,,,0.0,,,CID1484740,CCOC(=O)c1cnc(SC)nc1Sc1cc(Cl)ccc1Cl
+,,,,,,,,,,,,,0.0,,,,CID1563374,CCCOc1ccc(/C=C/C(=O)O)cc1OC
+0.0,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID972539,Nn1c(COc2ccccc2)nnc1SC(F)F
+,0.0,,,,,,0.0,,,,,,,0.0,,,CID5308697,Cc1cc(C)cc(N(CC(=O)NCC2CCCO2)S(=O)(=O)c2c(C)noc2C)c1
+,,0.0,,0.0,,0.0,0.0,,,,,,,,,,CID2266358,COc1ccc(OCCNS(=O)(=O)c2ccccc2)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,,,0.0,,,CID1084957,C/C(Cl)=C\Cn1c(Nc2ccc(C)cc2)nc2c1c(=O)n(C)c(=O)n2C
+,,,0.0,,,,,,,,,,,,,0.0,CID663412,COc1ccc2c(c1OC)C(=O)OC2Nc1ccccc1S(=O)(=O)C(F)F
+,,,,,,,0.0,0.0,,,0.0,,,,0.0,,CID1095810,COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCCCCC1
+,,,,,,,,,,,,,0.0,,,,CID2111911,O=C(OCc1ccccc1)c1cccnc1Cl
+,,,,,,,,,,,0.0,,,,,,CID560762,CNc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
+0.0,0.0,,0.0,,,,,,,,,,,,0.0,,CID5308338,O=C1CCN2NC(c3ccc(Cl)cc3)=CC2=N1
+,,,,,,,,0.0,,,,,,0.0,,,CID1488088,N#Cc1c(SCc2cccc(Cl)c2)sc(C(=O)c2ccccc2)c1N
+,,,,,0.0,,,,,,,,,,,,CID1360726,Clc1ccc(-c2nc(N3CCOCC3)c3ccccc3n2)cc1Cl
+,,,,,,,,,,,,,0.0,,,,CID423349,CCOC(=O)N1CCN(c2ccc(Cl)cc2)CC1
+0.0,,0.0,0.0,,,,,,0.0,,,,,,,,CID814761,COc1ccc(C(=O)Nc2ccncc2)cc1OC
+0.0,,,,,,0.0,0.0,0.0,,,,,0.0,,,,CID690908,Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc2c(c1)OCO2
+,0.0,0.0,0.0,,,,,0.0,,,,,,,0.0,,CID2153,Cn1c(=O)c2[nH]cnc2n(C)c1=O
+,0.0,,,,0.0,,0.0,,,,,,,,0.0,,CID5214843,COCCNC(=O)CN1CCOc2ccccc21
+,,,,,,,,0.0,0.0,,,,,,,,CID2203667,Cc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(=O)NC1CCCCC1
+,,,,0.0,,,,,,,,,,,0.0,,CID2999440,O=C(COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)NCCN1C(=O)CSC1=O
+,,,0.0,,,,0.0,,,,0.0,,0.0,0.0,,,CID935179,O=c1c2c(nc3nc(CCc4ccccc4)[nH]n13)CCC2
+,,,,,,,,,,,0.0,,,,0.0,,CID3242454,COc1ccc(N(C(=O)COc2ccccc2)C2C=CS(=O)(=O)C2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID3551648,CCCNS(=O)(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl
+,,,,,,,,0.0,,,,,0.0,,,,CID653154,O=C(O)CCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1
+,,,0.0,,,0.0,0.0,,,,0.0,0.0,,,0.0,0.0,CID2216025,CCC(=O)c1ccccc1OCCSc1nc(=O)cc(C)[nH]1
+0.0,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,,,,,0.0,,CID1250645,O=C(NCc1nc(-c2ccccc2)no1)c1cccs1
+,0.0,,,,,,0.0,,,,,,,,0.0,,CID3242647,CCOC(=O)CC(=O)CSc1ccc2nnc(-c3ccc(C)cc3)n2n1
+0.0,,0.0,,,,0.0,,,,0.0,,,,0.0,,,CID660071,C=CCOn1c(=O)c(-c2ccc(OC)cc2)[n+]([O-])c2ccccc21
+,,,,,,,,,,,,,0.0,0.0,,,CID675954,O=C(NCCC1=CCCCC1)c1ccc([N+](=O)[O-])cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID1308519,CCOc1ccccc1Oc1coc2cc(OC(=O)c3ccco3)ccc2c1=O
+,,,,,,0.0,,,,,,,,,,,CID2288230,CS(=O)(=O)NCCSCc1ccco1
+0.0,,,,,,,,,,,0.0,,,,,,CID3243662,CCc1ccccc1N(CC)C(=O)c1cn(CC)c(=O)c2cc(OC)c(OC)cc12
+,,,,,,,,,,,,,0.0,,,,CID1860843,Nc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccco3)ccc12
+,,,,0.0,,,0.0,,0.0,0.0,,,,,,0.0,CID661480,Cc1cccc(C)c1OCC(O)CNS(=O)(=O)c1ccccc1C(=O)N1CCCCC1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID651690,O=C(NCc1cccnc1)c1cccc(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID5975239,COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2952193,COc1ccccc1C1=NN(C(=S)Nc2ccccc2)C(c2ccco2)C1
+,0.0,,,,,,,,0.0,,,,0.0,,0.0,0.0,CID807457,Cc1ccc(C(=O)N2CCOCC2)cc1Cl
+0.0,0.0,,,,,,,,,0.0,,0.0,,,,,CID1080842,C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccn3)CC2)c1
+,,,,,,,,,,,,,0.0,,,,CID2554029,O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1=O
+,,,,,,,,,,,,,0.0,,,,CID2490637,O=C(CN1C(=O)NC2(CCCCCC2)C1=O)NCc1cccs1
+,0.0,,0.0,,,,,,,,,,,,,,CID646277,COc1ccc(-n2nnnc2SCC(=O)N2CCCC2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID5187798,O=C(CSc1cccc[n+]1[O-])Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]
+,,,,,,,,,,0.0,,,,,,,CID1469691,Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,0.0,CID644997,Cc1cc(C)cc(CC2CC(=O)N(c3nc(C)cc(C)n3)C2=O)c1
+0.0,,,,,,0.0,,,,,,0.0,,,,,CID673680,Cc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1
+,,,,0.0,,0.0,,,,,,,,0.0,,,CID2803060,C#CCSc1nsc(SCC#C)c1C#N
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID3244831,CCOC(=O)CC(=O)CSc1ccc2nnc(-c3cccc(F)c3)n2n1
+,,,,0.0,,,,,,,,,,,0.0,0.0,CID2946698,CC1(C)Cc2c(c(N3CCOCC3)nc3sc(-c4ccc(C(=O)O)o4)c(N)c23)CO1
+,,,,,,,,,,,0.0,,0.0,0.0,,,CID1817439,N#Cc1c(-c2cccs2)[nH]c(SCC(=O)c2cccs2)nc1=O
+0.0,,,,0.0,,0.0,,,,0.0,,,,,0.0,,CID651032,O=C(Nc1ccccc1)C1CCN(c2nccs2)CC1
+,,,,0.0,0.0,,0.0,0.0,,0.0,,,,,,0.0,CID3242167,Cc1cc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2cc1C
+0.0,,,,,,,,,,,,,,,,,CID3239874,O=C(Cn1cnc2c(nnn2Cc2ccc(Cl)cc2)c1=O)OCc1ccccc1
+,,,,0.0,,,0.0,0.0,0.0,,,,,,,,CID3239228,CCNC(=O)CC1C(=O)N(c2ccc(OC)cc2)C(=O)N1Cc1ccc(OC)cc1
+,,,,,,,,,,,,,,0.0,,,CID710528,COC(=O)COc1ccc2c(=O)c(-c3ccccc3OC)coc2c1
+0.0,,,,,,,,,,,0.0,,,,0.0,,CID3241174,CN(C)c1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Br
+,,,,,,,,0.0,,,,0.0,,,,0.0,CID2599202,Cc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
+,,,,,,0.0,,,,,,,,,,,CID2387385,O=C(CN1C(=O)c2ccccc2C1=O)OCC(=O)N1CCc2ccccc2C1
+,,,,,0.0,,,,,,,,,,,,CID1183741,Cc1c(OCC(=O)OCc2ccccc2)ccc2c3c(c(=O)oc12)CCC3
+,0.0,,,,,,0.0,,,,,,0.0,,,0.0,CID2292444,CCCOc1ccc2ccccc2c1/C=N/n1cnnc1
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID3245865,Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1
+,,,0.0,,,0.0,,,,0.0,,,,,,0.0,CID2841019,N#CC1=C(SCC(N)=O)NC(=O)CC1c1ccccc1Cl
+0.0,,,0.0,,,,,0.0,,,,,,,,,CID3242788,COc1cc(N2CCOCC2)ncn1
+,,,,,,,,0.0,,,,,,,,0.0,CID657865,C=CCn1c(O)cc(=O)nc1SCc1c(F)c(F)c(F)c(F)c1F
+,,,,,0.0,,,,,,,,,,,,CID3132207,O=C(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1
+,0.0,,,,,,,,,,,,,0.0,,,CID844237,CC(=O)Nc1nc(=O)c(Cc2ccccc2)c(C)[nH]1
+,,,,,,,0.0,,,,,,,,,,CID757267,Cc1cc(C)n2c3c(c(C#N)c2n1)CCCC3
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+,,,,,,,,,,,,,,,0.0,,CID2233380,O=C(CNC(=O)c1ccco1)NCC(=O)OCc1ccccc1Br
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+,,,,,,,,,0.0,,,,,,,0.0,CID2898295,CC12CCC(C(=O)NCc3ccccc3)(OC1=O)C2(C)C
+,0.0,,0.0,0.0,,0.0,,0.0,0.0,,,,,,0.0,0.0,CID1298211,CC(C)NC(=O)c1ccccc1NC(=O)c1ccccc1N(C)S(C)(=O)=O
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+,0.0,,,,,,,,0.0,,,,,,,,CID656135,O=C1NC(c2cccs2)Nc2sc3c(c21)CCCC3
+0.0,,,,,,0.0,,,,,,,,,,,CID666988,CCOC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccccc2Cl)CC1
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+,,,,,0.0,,,,,,,,,,,,CID2263748,O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(F)cc1
+,0.0,0.0,0.0,,,,,,,,,,,,,0.0,CID657552,Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2
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+,0.0,,0.0,,,,,,,,,,,,,,CID3596009,CCOC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccc(C)cc4)[nH]cc-3c(=O)n2)CC1
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+0.0,,,,,,,,,,,,,,,,,CID5309564,Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(C(=O)NCC2COc3ccccc3O2)CC1
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+,0.0,0.0,,0.0,0.0,,0.0,,,,,,,,,0.0,CID3238506,CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1
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+0.0,,,,,,0.0,,,,0.0,,,,,,0.0,CID658217,Cc1cccnc1N(C(=O)Nc1ccccc1)C1=NCC(C)(C)S1
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+,,,,,0.0,,,,,,,,,,,,CID4885308,COc1cc(OC)c(C(=O)Nc2cccc(C(C)=O)c2)cc1OC
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID666303,CC1CCN(CCc2nc3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3n2C)CC1
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+,,,,,,,,,0.0,,,,,,,,CID1483350,Cn1c(C(=O)N2CCOCC2)cnc1Sc1ncc(C(F)(F)F)cc1Cl
+,,,0.0,,,0.0,0.0,,,,,,,0.0,0.0,,CID655519,Cc1ccccc1C(=O)NCc1ccncc1
+,0.0,0.0,0.0,0.0,,,0.0,0.0,0.0,,,0.0,,,,,CID2956716,Cc1nc(C)n(CC(O)COc2ccc3ccccc3c2)n1
+,,,,,,,,,,,,,,0.0,,,CID3633777,On1c(-c2ccccc2Cl)nc2ccccc21
+,,,0.0,0.0,,,,,,0.0,,,,0.0,,,CID653973,Cn1c(Cn2nnc3ccccc32)nnc1SCC(N)=O
+,,0.0,,,,,,,,,,,,,,0.0,CID2212928,Clc1ccccc1-c1nnc2sc(-c3ccc4c(c3)OCO4)nn12
+,,,,,,,,0.0,,,,,,,,,CID2175357,Cc1cccc(N(CC(=O)NCCC2=CCCCC2)S(C)(=O)=O)c1C
+,,,,,,,0.0,,,,0.0,0.0,,,,,CID5310384,Cn1cc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(=O)n(C)c1=O
+,,0.0,0.0,,,0.0,,,,,,,,,,,CID659069,Nc1c(C(=O)NCc2ccco2)c2nc3ccccc3nc2n1CCN1CCCCC1
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID704533,c1ccc(Nc2nc(-c3ccncc3)cs2)nc1
+,,,,,,,,,0.0,,,,0.0,,,,CID938363,COn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O
+,,,,,,,,,,,,,,0.0,,,CID2306465,COc1cccc2cccc(/C=N/n3cnnc3)c12
+,,,,,,,,,,0.0,,,,,0.0,,CID655707,CCCS(=O)(=O)N1CCN(C(=O)c2cc(OC)cc(OC)c2)CC1
+,,,,,,,,,,,,,0.0,,,,CID102928,COc1ccc(C2CC(=O)c3ccccc3O2)cc1
+0.0,,,,,,,,,0.0,,,,,,,,CID661645,N#CC1=C(SCC(=O)c2ccccc2)NC2=C(C(=O)CCC2)C1c1ccco1
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+,,,,,0.0,,,,,,,,,,,,CID1372951,COc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1
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+0.0,,,0.0,,,,,,,,,,,0.0,,0.0,CID660032,C=CCOC(=O)Nc1c(C(=O)OC)[nH]c2ccc(Cl)cc12
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+,,,,,,,,,,,,,0.0,,,,CID6621912,COc1ccc(Nc2cc(C(=O)N3CCc4ccccc4C3)c3ccccc3n2)c(OC)c1
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+,,,,,,,,,,,,,0.0,,,,CID1446344,CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12
+,,,,,0.0,,,,,,,,,,,,CID829693,Cc1sc(NC(=O)c2ccc(F)cc2)c(C(=O)O)c1C
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+0.0,0.0,,,,,,,0.0,,,,,,,,,CID3243353,O=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(C1CCCCC1)C2
+,,,,0.0,,0.0,0.0,,,,,,,,,,CID1356730,O=C1CSC(NC(=O)c2ccccc2)=N1
+0.0,0.0,,0.0,,,,,,,,,,,,,0.0,CID3244866,O=C(CCc1nc(-c2ccccc2F)no1)NCCc1ccccc1Cl
+,0.0,,,0.0,,,,,,,0.0,,,,,,CID2946603,Cc1nc(N)sc1-c1nnc(SCC(=O)Nc2nccs2)n1C
+,0.0,,,,,,0.0,,,,,,,,,,CID654039,CC(=O)Nc1nonc1NC(C)=O
+,,,,,,0.0,,,,,,,,,,0.0,CID782082,COc1ccc(CCN(C)Cc2c(F)cccc2F)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2856663,O=C1C2CCCCC2C(=O)N1c1nc2ccccc2s1
+,,,,,,,,,0.0,,,,,,,,CID2226935,CSc1ccccc1NC(=O)Nc1cccc(Cl)c1
+,,,0.0,,,,,,,,,,,,,,CID3240999,Cc1cc(=O)n2nc(N3CCCC(C(=O)NCc4ccco4)C3)sc2n1
+,,,,,0.0,,,,,,,,,,,,CID4494260,CN1CCN(c2ccc([N+](=O)[O-])c(NCc3ccc(Cl)cc3)c2)CC1
+,,,,,,,,,,,0.0,,,,,,CID3628165,NNC(=O)c1cn2ccccc2n1
+,,,,,,,0.0,,,,,,,0.0,0.0,,CID342157,O=C1c2cccnc2-c2ncccc21
+,,,0.0,,,,,,,,,,,,,,CID650142,OCC#Cc1cnc2ccccc2c1
+0.0,0.0,,,,,,,,,,,,,0.0,0.0,0.0,CID851623,Cn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2473255,N#CCCn1cc(C(=O)NCc2ccccc2)c(-c2ccccc2)n1
+,,,,,,,,,0.0,,,,,,,,CID2963341,COc1cc(OC)cc(OCC(O)Cn2ccnc2)c1
+0.0,,,,,0.0,,,,,,,,,,,0.0,CID668743,N#Cc1c(N)c(C#N)c(-c2ccc3c(c2)OCO3)c2c1CCCC2
+,,,,,0.0,,,,,,,,,,,,CID1359656,Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1[N+](=O)[O-]
+,0.0,,,,,,0.0,,0.0,0.0,,,,,,,CID664307,CCCCCn1/c(=N/C(C)=O)c(C#N)cc2c(=O)n3cccc(C)c3nc21
+,,,,,,,,,,,,,0.0,,,,CID2951981,COc1ccc(NC(=O)c2ccc(NC(=O)C(C)C)cc2)c([N+](=O)[O-])c1
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+,,,,,,,,,,,,,,,,0.0,CID726075,Cc1cc(C(=O)Nc2ccc3c(c2)OCCO3)co1
+,,,,,0.0,,,,,,,,,,,,CID1454560,CCOc1ccc(N2C(=O)CN=C2Nc2ccccc2Cl)cc1
+,0.0,,,,,,,,0.0,,,,,,,0.0,CID2969387,CCNC(=O)N1C(CC(=O)OCC)C(=O)NC2CCCCC21
+,,,,,,,,,,,0.0,,,,,,CID2225450,CCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
+,,,,,,,,,,,0.0,,,,,,CID534771,CC1(C)C2([N+](=O)[O-])CNCC1([N+](=O)[O-])CNC2
+,,,,,,,0.0,,,,,,,,,,CID645284,CCC1(C(=O)OC)NC(c2ccccc2OC)C2C(=O)N(C)C(=O)C21
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID654518,COCCNC(=O)C(c1ccco1)N(Cc1ccc(OC)cc1)C(=O)Cn1nnc2ccccc21
+,,0.0,0.0,,,,,,,,,,,,,0.0,CID3239050,CCOc1cccc2c1OC1(C)CC2NC(=O)N1c1ccc(OC)cc1
+,,,,,,0.0,0.0,,,,,,,,,,CID722777,COC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1
+,,,,,,,,,,,,,,0.0,,,CID3716581,O=C(N/N=C/C1CC2CCC1C2)c1ccc(Br)o1
+,,,,,,,,,,,,,0.0,0.0,,,CID2272398,Cc1ccccc1NC(=O)C(=O)NCc1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID5771471,O=C1SC(c2ccccc2)=N/C1=C/c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID2325220,Cn1/c(=N/C(=O)C2CCCCC2)sc2cc([N+](=O)[O-])ccc21
+,,,0.0,,,,,,,,,,0.0,,,0.0,CID3371,O=C(O)c1ccccc1Nc1cccc(C(F)(F)F)c1
+,,,,,,,,,,,0.0,,,,,,CID1894676,N#C/C(=C/Nc1cc(C(F)(F)F)ccc1Cl)C(N)=S
+,,,,,,,,,,,0.0,,,,,,CID836514,O=C(Nc1ccccc1C(=O)O)c1ccc(Br)o1
+,0.0,0.0,,0.0,,,,,,,,,,,,,CID3245936,Cc1nn(C(C)C(=O)N2CCc3ccccc3C2)c(=O)c2cc3occc3n12
+,,,,,,,,,,,,,,0.0,,,CID1450296,CNc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)c(C)s1
+,,,,,,,,0.0,,,,0.0,0.0,,0.0,,CID74469,COc1ccc(OC)c(CC(=O)O)c1
+,,,,,,,,,,,,,,0.0,,,CID4575822,CCCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1=O
+,,,,,,,0.0,,,,,,,,,,CID5307657,Cc1nc2ccccc2c2oc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc12
+,,,,,,,,,0.0,0.0,,,,,,,CID647510,CCCN1CCN(C(c2cc3cc(OC)ccc3[nH]c2=O)c2nnnn2C2CCCCC2)CC1
+,0.0,0.0,,,,,,,,,,,,,,,CID647860,CCOCCOCN(C#N)c1nc(OC)nc(N(C)C)n1
+,,,,,0.0,0.0,,,,,,,,,,,CID2695554,COC(=O)c1ccc(Cn2nnc3ccccc3c2=O)o1
+0.0,,,,,,,,,,,,,,,0.0,,CID3243880,CCCc1noc(-c2ccc(-c3ccccc3)cc2)n1
+,,0.0,,,,,0.0,,,,,,,,0.0,0.0,CID3240403,CCCS(=O)(=O)N1CCC(C(=O)NCC2CCCO2)CC1
+,,,,,,,,,,,,0.0,,,,,CID4170858,CCOC(=O)C(C)Oc1cccc2c(=O)n(CC(=O)NCc3ccco3)ccc12
+0.0,,0.0,,,,0.0,,,0.0,,,,,,,,CID652481,CCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)Cc1ccco1
+,0.0,,,,,,0.0,0.0,,0.0,0.0,0.0,,,,,CID667745,CCOC(=O)c1c(N)c(C#N)cn1-c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID1106588,CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccccn1
+,0.0,,0.0,,,,,,,,,,,,,,CID3239716,COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1
+,,,0.0,,,,,,,,,,,,,,CID664202,COC(=O)C(CCSC)NC(=O)Nc1ccc(OC)c(Cl)c1
+,0.0,,,,,,,,,,,,,,,,CID771929,COC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1
+,,,,,,,,,,,,,0.0,,,,CID2379245,N#Cc1cc(C(=O)c2ccccc2O)cn(-c2nccs2)c1=O
+,,,,,,,0.0,,,,,,,,,,CID1365,C=CCn1c(=O)c2c(nc(-c3ccc(S(=O)(=O)O)cc3)n2C)n(C)c1=O
+,,,,,,,,0.0,,,,,0.0,,,,CID1830371,O=C(OCC#CCSc1nnc(-c2ccncc2)o1)c1sc2ccccc2c1Cl
+,0.0,,,,,0.0,,,,,0.0,0.0,0.0,,0.0,,CID663838,Cc1nc(Nc2ccncc2)c2oc3ccccc3c2n1
+,,,,,,,,,,,,,0.0,,,,CID2473040,COc1ccc(Nc2nc(-c3cccs3)nc3ccccc23)cc1
+0.0,,,,,,0.0,,,,,0.0,,,,,,CID650097,O=C(c1ccco1)N1CCN(C(c2cccs2)c2nnnn2C2CCCCC2)CC1
+0.0,,,,,,,,,,,,,,,,,CID3241535,COc1ccc(NC(=O)CN2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1Cl
+,,,,,0.0,,,,,,,,0.0,,,,CID5782070,CCOc1ccc(N/C=C2/C(=O)N(c3cccc(C)n3)C(=O)c3ccccc32)cc1
+,0.0,,,0.0,,0.0,,,,,,,,,0.0,,CID673507,NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1
+,,,,,,,,,,,,0.0,,,,,CID4339188,O=C(O)c1cccc(C(=O)Cc2ccccc2)c1
+,,,,,,,,0.0,,0.0,,,,0.0,,,CID967572,CCOc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1
+,,,0.0,,,,,,,,0.0,,,,,,CID3242566,COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccc(OC)c3)c2N)cc1
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+,,,,,,,,,0.0,,,,,,,,CID3882410,CCCCCCSc1nc(=O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(O)n1-c1ccccc1
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+,0.0,,,0.0,,0.0,0.0,,0.0,,,,,,,,CID655269,CC1Oc2ccccc2N(CC(=O)NCc2cccs2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID1050686,CCC(=O)Nc1ccccc1Sc1ncnc2scc(-c3ccccc3)c12
+,,,,,,,,,0.0,,,,,,,,CID1225673,COC(=O)c1sccc1NC(=O)c1ccc(C)s1
+,0.0,,,,,,,,,,,,,,,,CID2871971,CCC1=[N+]([O-])C(C)(/C(C)=N/O)N(O)C1(C)C
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID654898,COc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)C(C(=O)NCCC(C)C)c1ccco1
+,0.0,,,,,,0.0,,,,0.0,,,,,,CID648841,NC(=O)CSc1nnc(-c2ccoc2)o1
+,,,,,,0.0,,0.0,,0.0,,,0.0,,0.0,0.0,CID739348,Cc1nnc(NC(=O)c2ccccc2Br)s1
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+,,,,,,,,,,0.0,,,,,,,CID5342649,COC1=C/C(=C/NN2C(=O)CSC2=S)C=CC1=O
+,,0.0,0.0,,,,,,0.0,0.0,,,,,,,CID752004,O=C(Nc1ccc2c(c1)OCO2)N1CCOCC1
+,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,,0.0,,CID2999906,O=C(COC(=O)Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2
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+,,,,,,,,,,,,,0.0,,,,CID7215654,CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccccc2C)c1
+,,,,,,,,,,,,,0.0,,,,CID2767213,CNC(=O)c1sccc1Oc1ccc(F)cc1[N+](=O)[O-]
+0.0,,,,,,,0.0,,,,,,0.0,,,0.0,CID1026546,COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)cc1OC
+,0.0,,,,,,,,,,,,,,,,CID662739,Cc1ccccc1N1C(=O)C2ON(c3ccccc3)C(c3cccnc3)C2C1=O
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+,,,,,,,,,,,,,0.0,,,,CID3917548,CCOc1ccc(/C=N/Nc2ccccn2)cc1OC
+,,,,,,,,,,,,,0.0,,,,CID1340468,CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1
+0.0,0.0,0.0,,,,0.0,,,,,,,,,0.0,0.0,CID971950,COc1ccc(Cl)cc1NC(=O)N(C)Cc1c(C)nn(C)c1C
+,,,0.0,,,,,0.0,,,0.0,,,,0.0,0.0,CID602757,O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,,,,,CID3316814,COC(=O)C1=NN(c2ccccc2)C2(S1)SC(C(C)=O)=C(C)N2c1ccccc1
+,,,,,,,,,,,0.0,0.0,,,,,CID658936,CCC(=O)Nc1c(C#N)c2nc3ccccc3nc2n1C1CCCCC1
+,0.0,,,,,,,,,,,,,,,,CID971379,CCCn1c(-c2ccc(F)cc2)n[nH]c1=S
+,,,,,,0.0,,0.0,0.0,,0.0,0.0,,0.0,0.0,,CID2226137,Cc1ccc(S(=O)(=O)NCc2nc3ccccc3c(=O)n2N)cc1
+,,0.0,0.0,0.0,,,,,0.0,,,,,,,,CID657917,Cc1cccc(OCCN2CSC(=S)N(C)C2)c1
+,,,,,,0.0,,,,0.0,0.0,,,,0.0,,CID650723,COc1ccc(NC(=O)CC(Cc2ccccc2)C(=O)O)cc1
+,,,,,,0.0,,,,,,,,,,,CID3245491,COCCNC(=O)COc1cc(=O)n(C)c2ccccc12
+,0.0,0.0,,,,,0.0,,,,0.0,0.0,,0.0,,,CID894234,N#Cc1cn(CC(=O)NCc2cccnc2)c2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID2184814,COC(=O)c1ccccc1OCCOCCOc1cccc2ccc(C)nc12
+,,,0.0,,,,,,,,,,,,,,CID1252104,CC1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1
+,,,,,,,,,0.0,,,,,,,,CID1452234,CCn1nnnc1SCC(=O)Nc1nc2ccc(OC)cc2s1
+,,,,,0.0,,,,,,,,,,,,CID4259934,CCN(CC)C(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1
+,,,,,,,,,,,,,,0.0,,,CID1471093,Cn1c(=O)c(Oc2cc(Cl)cc(Cl)c2)nc2ccccc21
+,,,,,,,,0.0,,,,,,,0.0,0.0,CID644781,Cc1sc2ncn(CC(=O)OCC(=O)NC(C)(C)C)c(=O)c2c1C
+,,0.0,0.0,0.0,,0.0,0.0,,,,,,,,,,CID651560,COc1cccc(N(CC(=O)N2CCN(C)CC2)S(=O)(=O)c2ccccc2)c1
+,,,,,,,,,,,,,,0.0,,,CID781794,O=C(NN=C1CCCCCCCCCCC1)c1cccnc1
+,0.0,0.0,,,,,,0.0,,0.0,,,0.0,,,,CID696645,O=C(O)CCn1c(-c2ccccc2)cc2c1CCCC2=O
+,0.0,,,,,,,,,,,,,,,,CID3237442,O=C(NCCN1CCN(c2ccccc2)CC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1
+0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,0.0,,CID3116857,C=CCNC(=O)C1CC(=O)N(c2ccc(Br)cc2)C1
+,,,,,,,,,,,,,,0.0,,,CID676892,Cc1occc1C(=O)N/N=C/c1cccs1
+,0.0,,0.0,,,0.0,0.0,,,0.0,,,,,0.0,0.0,CID3769831,CC1=C(n2nnc3ccccc32)C(c2ccccc2)C(C#N)=C(N)O1
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+,,,,,,,,,,,0.0,,,,,,CID3239339,CCOC(=O)N1CCN(C(=O)C2CCN(S(=O)(=O)N3CCCC3)CC2)CC1
+,,0.0,,,0.0,,,0.0,0.0,0.0,,,0.0,,0.0,,CID648662,Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1
+,,,,,,,,,,0.0,,,,,,,CID662600,CN1CCN(c2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCC4)CC1
+,0.0,,,,,,,,,,,,,,0.0,,CID5308295,COc1ccc(OC)c(Nc2cc(C)nc3nc(C)nn23)c1
+0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID3236034,CN(CC(=O)NCc1ccc(F)cc1)S(=O)(=O)c1cccc2nsnc12
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2233680,CS(=O)(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)CC1
+,0.0,0.0,,0.0,0.0,,,,,0.0,,,,,0.0,,CID3235796,C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cccnc1
+,,,,,,,,,0.0,,,,,,,,CID2696908,COc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1
+,,0.0,,,,,,,,,,0.0,,,,,CID650966,CCOC(=O)c1ccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)cc1
+,,,,,,,,,,,,0.0,,,,,CID2998233,O=C1CN(C(=O)COC(=O)C2CC(=O)N(Cc3ccco3)C2)c2ccccc2N1
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+,,,,,,,,,,,,,,0.0,,,CID3227896,CC(C)Cn1c(=O)c2ccccc2n2c(SCC(=O)N3c4ccccc4CC3C)nnc12
+,,,,,,,,,,0.0,,,,,,,CID4651696,CC(NC(=O)C1CCCN(C(=O)N(C)C)C1)c1ccccc1
+,0.0,,,,,,,,0.0,,,,,,,,CID972952,Cc1cc(O)ccc1Nc1nc(-c2sc(N)nc2C)cs1
+,,0.0,,,,,,0.0,,,0.0,,,0.0,0.0,0.0,CID653266,COC(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21
+0.0,,,,0.0,,,,0.0,,,0.0,,,,,,CID657535,COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc(OC)c2)cc1
+,,,,,,,,,0.0,,,,,0.0,,,CID5717823,CC1=C(NNc2ccc(C)cc2C)C(=O)N=N1
+0.0,,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,CID665483,Cc1cc(C)c2c(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)cc(=O)oc2c1C
+0.0,,,,,,,,,,,,,,,,0.0,CID2192108,O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1
+0.0,,,,0.0,,0.0,0.0,,,,0.0,,,,0.0,,CID647133,Cc1cccc(NC(=O)c2sc(NC(=O)c3ccco3)c(C#N)c2C)c1C
+,,,,0.0,,,,,,,,,,,,,CID652197,Cc1cc(C(F)F)n2ncc(C(=O)NCc3ccccc3)c2n1
+,,,,,,,,,,,,,,0.0,,,CID2909929,O=C(C1CCCO1)N1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1
+,,,,,,0.0,,,,,,,,,,,CID5310319,Cc1csc2nc(CNS(=O)(=O)c3ccc4c(c3)CCCC4)cn12
+0.0,0.0,,,0.0,,,,,,,,,,,0.0,,CID2354223,COc1ccc(-c2csc(Cc3nnc4n3CCCCC4)n2)cc1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID2925109,CCC(Sc1nc(=O)cc(C)[nH]1)C(=O)Nc1nc(-c2ccccc2)cs1
+,,,,0.0,0.0,0.0,,0.0,,,,0.0,0.0,,,0.0,CID2347707,O=C1Nc2ccc(NS(=O)(=O)c3cccs3)c3cccc1c23
+,,0.0,,,,,,,,0.0,,,,,,,CID656062,COc1ccc(CNC(=O)C(c2ccco2)N(Cc2cccs2)C(=O)Cc2cccs2)cc1
+,,,,0.0,,,,,,0.0,,,,,,0.0,CID665319,COc1ccc(Cn2c(=O)n(Cc3ccco3)c(=N)c3c4c(sc32)COC(C)(C)C4)cc1
+,,,,,,,,,,,,,,0.0,,,CID1487460,N#Cc1c(-c2ccccc2)ccnc1N1CCOCC1
+,,,,,,,,,,0.0,,,0.0,,,,CID621902,CCSc1cnn(-c2ccccc2)c(=O)c1SCC
+,,,,,0.0,,,,,,,,,,,,CID4678346,O=C(Oc1oc(-c2ccco2)nc1/C=N/c1ccc(Cl)cc1)c1ccco1
+,,,0.0,,,,0.0,0.0,,,,,,,0.0,,CID667300,CC1CCc2sc3ncn4nc(C(=O)NCc5ccco5)nc4c3c2C1
+,,,,,,,,,,0.0,0.0,,,,,,CID2166263,O=C(NCCN1CCOCC1)Nc1ccccc1
+,0.0,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID2188560,CCOC(=O)CSCC(=O)Nc1cc(C)ccc1C
+,,,,,,,,,,,,,,0.0,,,CID4439951,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1
+,,,,,,,,0.0,,,0.0,,,,,,CID777230,CC1(C)CC(=O)C=C(NCCN2CCNCC2)C1
+0.0,0.0,,,,,,0.0,0.0,,,,,,,,,CID2349729,C=C(C)c1cccc(C(C)(C)NC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
+,,0.0,,0.0,,,,0.0,0.0,0.0,,0.0,0.0,,,,CID648487,CCN(CC)S(=O)(=O)c1csc(C(=O)Nc2ccccn2)c1
+,0.0,,,,0.0,0.0,,,,0.0,,,,0.0,,,CID2055443,CCCCc1ccc(-c2nc(-c3ccncc3)no2)cc1
+0.0,,,,0.0,,,0.0,,,,,,,,0.0,,CID2928606,COc1ccc(OCC(O)CNCc2ccco2)cc1
+,,0.0,0.0,,,,0.0,,,,0.0,,,,0.0,,CID5310174,CN(Cc1ccccc1)C(=O)CCn1c(=O)oc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID990454,Cc1nnc(SCCN2CCOCC2)c2nn(-c3ccccc3F)c(C)c12
+,,,,,0.0,,,,,,,,,,,,CID2696879,CCn1c(C)nc2cc(C(=O)NNS(=O)(=O)c3ccccc3F)ccc21
+,,,,,,,,,0.0,,0.0,,,,,,CID3200753,CCC(c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O
+,,,,,0.0,,,,,,,,,,,,CID3215782,COc1ccc(C(C(=O)NC(C)(C)C)N(C(=O)CNC(=O)c2cccs2)c2ccc(C)cc2)cc1OC
+,,,,,,,,0.0,,0.0,,,,,,,CID2225741,CCOC(=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(OC)cc1
+,,,,,0.0,,,,,,0.0,,,,,,CID3216052,O=C(CN(C(=O)CSc1nc2ccccc2o1)c1cccc(F)c1)NC1CCCCC1
+,,0.0,,0.0,,0.0,,,,,,,,,,,CID2998926,O=S(NCc1ccco1)C12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,0.0,,,,,,CID9550678,O=C(N/N=C/C=C/c1ccccc1)c1cccc(Br)c1
+,,,0.0,,,,,,,,,,,,0.0,0.0,CID3241869,CCN(CC)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCOC)cn2C
+,,,,,0.0,,,,,,,,,,,,CID2250932,COCCNC(=O)C(=O)Nc1ccccc1OC
+,,,,0.0,,,,,,,,,,,,,CID3245565,COc1ccc(S(=O)(=O)N2CCCN(CCC(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5880321,C1=NC2=NC3=C(CCC/C3=C\c3ccccc3)C(c3ccccc3)N2N1
+0.0,,,,,,,,,,,,0.0,,,,,CID3243063,Cn1c(=O)n(CCc2ccccc2)c(=O)c2c1nc1n2CCN1c1ccccc1
+0.0,,,,,,,,,,0.0,,,,,0.0,,CID726542,Cc1ccc(-c2nc(=S)c3c(n2Cc2ccco2)CCCC3)cc1
+,,,0.0,,,,,,,,,,,,,,CID3241429,CS(=O)(=O)N1CCCC(C(=O)NC2CCCCCCC2)C1
+,,,,,,,,0.0,,,,,,,,,CID699581,[O-]/[N+](=C\c1ccc(F)cc1)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID1306043,CCOc1ccc(-n2c(N)c(-c3nc4ccccc4[nH]3)sc2=S)cc1
+,,,,,,,,,0.0,,,,,,,,CID6621457,O=C(CCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NCc1ccc2c(c1)OCO2
+,,,,,0.0,,,,,,,,0.0,,,,CID661510,CCc1cccc(CC)c1N(COC)C(=O)Cn1nnc2ccccc21
+0.0,,,0.0,,,,0.0,,,0.0,0.0,,0.0,0.0,,,CID1506381,COc1cccc(Cn2c(-c3nonc3N)nc3ccccc32)c1
+,,,,,0.0,,,,,,0.0,,,,,,CID1478196,Cc1nc2cc(CC(=O)O)ccc2o1
+,,0.0,0.0,,,,,,,,,,,,,,CID657492,CCCc1nc(=O)[nH][nH]1
+,,,,,,,,,,0.0,,,,,,0.0,CID3244853,CC(Oc1ccccc1Br)C(=O)N1CCc2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID1260943,CCOC(=O)N1CCN(S(=O)(=O)c2cc(Cl)c(OC)cc2Cl)CC1
+,,0.0,,,,,,,,,,,,,,,CID5742447,C/C(N)=C(/C#N)C(=O)CSc1nnc(COc2ccccc2Cl)o1
+,0.0,,,,,0.0,,,,,0.0,0.0,,,,0.0,CID663587,N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCOCC1
+,,,,,,,,,,,,0.0,,,,,CID609340,Cc1sc2ncn3ncnc3c2c1C
+,,,,,0.0,,,,,,,0.0,,0.0,,,CID2998695,CCOC(=O)c1sc2c(c1C)C(c1cccs1)C1=C(CCCC1=O)N2
+,0.0,,,,,,0.0,,,,,,,,,0.0,CID1096313,O=C(CCn1cnc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1
+0.0,0.0,,,,,0.0,0.0,,0.0,,0.0,,,,,,CID2998180,COc1ccccc1C1NC(=O)NC(C)=C1C(C)=O
+,0.0,0.0,,0.0,,,,,0.0,,,,,,0.0,,CID656238,Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3nnc(COc4ccccc4)s3)CC2)cc1
+,,0.0,0.0,0.0,,,,,,0.0,0.0,0.0,,,,0.0,CID2971618,Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1
+,,,0.0,,,,0.0,,,,0.0,0.0,,,0.0,,CID2552412,COc1cccc(CNC(=O)c2ccc3nc[nH]c3c2)c1
+,,,,,0.0,,,,,,,,,,,,CID155097,O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccncc1
+0.0,,,,,,0.0,,0.0,0.0,,,,,,,0.0,CID3237120,CCc1c(C(=O)NCCc2ccc(OC)c(OC)c2)[nH]c(C)c1C(C)=O
+,,,,,,0.0,,,,,,,,,,,CID3239599,O=C(NC(=O)c1ccc(Cl)c(Cl)c1)OC1CCS(=O)(=O)C1
+,,,,,,,,,,,,,,0.0,,,CID3712276,CCn1nc(C)c(C2C(C#N)=C(N)OC3=C2C(=O)CCC3)c1C
+,,,,0.0,,0.0,0.0,,,,,,,0.0,0.0,,CID1245066,COC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2
+0.0,,,,,0.0,,,,,,,,0.0,,0.0,0.0,CID661256,N#Cc1nc(-c2ccccc2Cl)oc1N1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID759774,O=C1CCCN1CCNC(=S)Nc1ccccc1
+,,0.0,,,,,,,0.0,,,,,,0.0,0.0,CID2235826,CCOC(=O)C1CCN(C(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)CC1
+0.0,,,,,,0.0,,,,,,,,0.0,,,CID1298334,COc1cc(OC)c(NC(=O)c2ccc(Br)o2)cc1Cl
+,,,,,,,0.0,0.0,,,,,,,0.0,0.0,CID3241659,O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nonc23)C1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID4324735,Cc1nc2sc(C(c3ccccc3)N3CCN(C)CC3)c(O)n2n1
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+,0.0,,,,,,,,,,,0.0,,,,0.0,CID213226,CSc1nnc(-c2ccccc2)n1C
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+,,,,0.0,,0.0,0.0,,0.0,,,,,,,0.0,CID1255986,CN(C)S(=O)(=O)N(CC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1
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+0.0,0.0,,0.0,,,,,,,,,,,,,,CID3336546,CC(C)N1C(=O)CCC1C(=O)NCc1ccccc1Cl
+0.0,,,0.0,0.0,0.0,0.0,,,,,,,,,,,CID747881,N#Cc1c(N)nc(SCc2ccccc2)c(C#N)c1-c1ccco1
+,,,,0.0,,,,,,,,,0.0,,,,CID2105521,O=C(CSc1ccccc1)NCCCN1CCOCC1
+,,0.0,,,,,,,,,,0.0,,,,,CID2302000,CCn1cc(C(=O)NCCOC)c(=O)c2ccc(C)nc21
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+,,,,,,,,,,,,,0.0,,,,CID744679,O=C(NCC1(c2ccccc2)CCCC1)c1ccc(Br)o1
+,0.0,0.0,,,,,,,,,,0.0,,,,0.0,CID903148,Cc1c(NC(=O)CCC2CCCCC2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,0.0,,,,CID4137406,Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1
+,,,,,,,0.0,,0.0,,,0.0,,,,0.0,CID3242264,COc1ccccc1CN1C(=O)C2CC=CCC2C1=O
+,,,,,,,,,,0.0,,,,,,,CID761190,O=C(N/N=C/c1ccco1)c1cc(-c2cccc3ccccc23)n[nH]1
+,,,,,,,,,,,,,0.0,0.0,,,CID790942,Cc1cc(C(=O)NCCC2=CCCCC2)ccc1[N+](=O)[O-]
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+,,,,,0.0,,,,,,,,,,,,CID838244,Cc1ccc(/C=N/n2c(-c3ccccc3)n[nH]c2=S)s1
+,,,,,,,,,,,0.0,,,,,,CID939226,Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1
+,,0.0,,,,,,,,,,0.0,,,,0.0,CID3236244,CCOC(=O)N1CCN(C(=O)Cc2ccc(-n3c(=S)[nH]c4ccccc4c3=O)cc2)CC1
+,0.0,0.0,,0.0,,,0.0,0.0,,0.0,,0.0,,,,,CID2233111,Cc1cccc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)n1
+,,,,,,,,,,,0.0,,0.0,,,,CID221427,O=C(Nc1ccccc1)Nc1ccccn1
+,,,,,,,,,,0.0,,,,,,0.0,CID650940,CC(Sc1nc(N2CCOCC2)nc(N2CCOCC2)n1)C(=O)Nc1ccccc1
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+,,,,,,0.0,,,0.0,,,0.0,,,0.0,,CID753292,COc1ccc(-c2nc(C)c(C(C)=O)n2O)cc1OC
+,,,,,0.0,,0.0,,,,,,,,,,CID5389589,COC1=CC=C/C(=C2\N=C(NC(C)C)c3ccccc3N2)C1=O
+,,,,,,,,,,,,0.0,0.0,,,,CID2312493,CCN(CC)c1ncc(Cl)c(C(=O)O)n1
+,,,,,,,,,0.0,,,,,,,,CID6400907,O=c1[nH]nc2c3ccccc3cnn12
+,,,,,,,,,,,,,,0.0,,,CID2323632,O=C(COc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccs1
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+,,,,,0.0,,,,0.0,,,,,,,,CID4884585,Cc1ccc(NC(=O)COc2ccc(-n3ccnc3)cc2)cc1Cl
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+,,0.0,,,,0.0,,,,,,,,,,,CID646577,C=CCn1c(O)c(CN2CCN(Cc3ccccc3)CC2)c(C)c(C#N)c1=O
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+,,,,,,,,,,0.0,,,,,,,CID1155279,O=C(CSc1nnc(COc2cccc3ccccc23)o1)N1c2ccccc2CCc2ccccc21
+,0.0,0.0,,0.0,,,,,,,,,,,0.0,0.0,CID2359597,Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1nc(-c2cccnc2)cs1
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+,0.0,0.0,,0.0,,,,,0.0,,,,0.0,,0.0,,CID2595628,COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(OC)c2)o1
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+,0.0,,0.0,0.0,,,,,,,,,,,,,CID651011,CS(=O)(=O)N1CCC(C(=O)Nc2c(F)cccc2F)CC1
+,,,,,,,,,,,,,0.0,,,,CID3205442,O=C(CCC(=O)N(CC(=O)NC1CCCCC1)CC1CCCO1)Nc1nccs1
+0.0,,,,,,0.0,,,,,,,,,0.0,0.0,CID773718,CC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
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+0.0,,,,,,,,,,0.0,,,,,0.0,,CID5308567,O=S(=O)(c1ccc(Br)cc1)N1CCn2c(nc3ccccc32)C1
+,,,,,,,,,0.0,0.0,,,,,,,CID3221366,CCCCNS(=O)(=O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1
+,,,,,,,,,,,0.0,0.0,,,,,CID1292871,COc1ccccc1OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1
+,,,,0.0,,,,,,0.0,,0.0,,,0.0,,CID696014,O=S(=O)(c1ccc(-c2cn3ccccc3n2)cc1)N1CCOCC1
+,,,,,,,,,,,,,0.0,,,,CID5723827,O=C1C=C(O)/C(=C/NN2C(=O)C3C(C2=O)C2C=CC3C23CC3)C=C1[N+](=O)[O-]
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+0.0,,0.0,,,,,0.0,,,,,,,,,0.0,CID654284,Cn1c(=O)c2c(nc(SCC(=O)N3CCCc4ccccc43)n2C)n(C)c1=O
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+0.0,0.0,,0.0,,0.0,,,,,,0.0,,,,,0.0,CID3236044,CCc1c(C(=O)Nc2ccc(OC)c(Cl)c2)[nH]c(C)c1C(C)=O
+,,0.0,0.0,,,0.0,,,0.0,,,,,,,0.0,CID974105,Cc1cc(NC(=O)Cc2c(F)cccc2Cl)no1
+,0.0,0.0,,,0.0,,,,,,0.0,,,,,,CID709793,CCc1c(-c2ccccc2)nc2nc(C)c(C)nn12
+,,,,,,,,,,,,,,0.0,,,CID16190379,COc1ccc(C(=O)C2CCCN(Cc3cccn3-c3cccnc3)C2)cc1OC
+,0.0,0.0,,,,,,,,,,,,,,,CID3244040,CCOCCCNC(=O)C(c1ccc(C)cc1)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnccn1
+,0.0,,,0.0,,0.0,,,,,,0.0,,,,,CID706682,Cc1ccc2nsnc2c1S(=O)(=O)NCc1ccncc1
+,,0.0,,0.0,,0.0,0.0,0.0,,,,,,,,,CID663333,CCCCCCC(=O)N(O)C1CC(=O)N(c2ccccc2)C1=O
+,,0.0,,,,,0.0,,,,,,,,,,CID3239740,CCn1cc(C(=O)NCCCOC(C)C)c2cc(OC)c(OC)cc2c1=O
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+,0.0,,0.0,,,,,,,,,,,,,,CID658922,O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)N1CCN=C1S2
+,,,,,,,,,,,,,0.0,,,,CID1214326,COc1ccc(Cc2nnc(NC(=O)CSc3ccccc3)s2)cc1OC
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+,,0.0,,,,0.0,,,,,,,0.0,,,0.0,CID3245436,COc1cccc(CNC(=O)C2CCCN(S(C)(=O)=O)C2)c1
+,0.0,,0.0,,,,,,,,,,,,,,CID2834688,CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2
+,0.0,,,0.0,,,0.0,,,,,,,,,,CID2234662,CCS(=O)(=O)n1nc(NCc2cccc(OC)c2)nc1NCc1cccc(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID784160,Nc1ccc2oc(-c3ccc4nc[nH]c4c3)nc2c1
+,,,,,0.0,,,,,,,,,,,,CID2229765,COc1ccc(-c2noc(CSc3nc(=O)cc(-c4ccccc4)[nH]3)n2)cc1
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+,,,,,,,,,0.0,,,,,,,0.0,CID2549681,O=C(OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=COCCO1
+0.0,,,,,,,,,,,,0.0,,,,0.0,CID2997989,COc1ccccc1NC(=O)C(C)NS(=O)(=O)c1ccc(Cl)cc1
+,,,,0.0,,,,,,0.0,,0.0,,,,,CID644660,O=S(=O)(NCc1ccncc1)c1ccc(S(=O)(=O)NCC2CCCO2)cc1
+,,,,,,,,,,,,,0.0,0.0,,,CID1442698,CC(C)OC(=O)CSc1nc(Cc2cccs2)nc2ccccc12
+0.0,,,,,,,,0.0,0.0,0.0,,,0.0,,,,CID1519528,CCOC(=O)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)o1
+,,,,,,,,,,,,,,0.0,,,CID2247360,CC(C)CNC(=O)CC(=O)N/N=C/c1ccc(Br)cc1
+,,,,,0.0,,,,,,,,,,,,CID3236475,CCOc1ccccc1NC(=O)C1Cc2ccccc2CN1S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID1945591,O=C(Nc1ccccc1)Nc1nnc(CSCc2ccccc2Cl)s1
+,,,,,,,,,,0.0,,,,,,,CID1206697,Cc1ccc(-c2nnc(SCC(=O)CC(=O)Nc3ccccc3)n2C)cc1
+,,,,,,,,0.0,,0.0,,,,,,,CID2851823,O=C1c2ccccc2C(=O)N1CC1c2ccccc2CCN1C(=O)C1CCCCC1
+0.0,,,,,,,,,,,0.0,0.0,,,,,CID2115719,CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl
+,,,0.0,0.0,,,,,,,0.0,,,,0.0,,CID3240434,CCOC(=O)N1CCN(C(=O)C2CCC(CNS(=O)(=O)c3ccc(Cl)cc3)CC2)CC1
+0.0,,0.0,0.0,,,0.0,0.0,,,,,,0.0,0.0,,0.0,CID663600,COc1ccc(CN(CCCN2CCOCC2)C(=O)Nc2ccccc2)cc1OC
+,0.0,0.0,,,,,,,,,,0.0,,,,,CID2096099,CC(C)Cn1c(N)c(C(=O)COC(=O)C2CCCCC2)c(=O)n(C)c1=O
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+,,0.0,,,,,,,,,,,,,,,CID714895,Cc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)c(C)c1
+,,0.0,,,,,,,,,,,,,,0.0,CID655151,Cc1cc2cc(CN(Cc3nnnn3C3CCCCC3)CC3CCCO3)c(=O)[nH]c2cc1C
+,,0.0,,,,,,,,,,,,,,,CID1287952,Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2SCc2ccccc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID9550313,CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)n(C)c(=O)c(=O)n2C
+,,,,,,,,0.0,,,0.0,,,,,,CID2529184,CCOC(=O)c1c(NC(=O)Cn2nnc(-c3ccc(Cl)cc3)n2)sc(C)c1C
+,,,,,,,,,,,,,0.0,,,,CID2265051,COc1ccc2nc(SCC(=O)Nc3ccccc3)[nH]c2c1
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID2839106,CC1CCCC(C)N1C(=O)Nc1cccc(Cl)c1
+0.0,,,,,,,0.0,,0.0,,,,,,,0.0,CID3238791,CCN1C(=O)CC(C(=O)Nc2ccc(F)cc2)S/C1=N\c1cccc(OC)c1
+,,,,,,,0.0,,,,,0.0,,,,,CID3240181,O=C(Cn1ncc2c(=O)oc3ccccc3c21)N1CCN(C(=O)c2ccco2)CC1
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+0.0,,,,0.0,,,,0.0,0.0,,,,,,,,CID658700,CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1
+,0.0,0.0,,,,,,,0.0,,,,,,,,CID3243215,Cc1noc(C)c1S(=O)(=O)N1CCCC(C(=O)NCC2CCCO2)C1
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+,0.0,,,0.0,,,,,,0.0,,,,0.0,,,CID2937577,CC/N=C1/SC(CC(=O)NC2CCCCC2)C(=O)N1CC
+0.0,,0.0,,0.0,,,,,,,,0.0,,,0.0,0.0,CID665250,Cn1cc(C(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2n1C
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+,0.0,0.0,,,,,0.0,,,,,0.0,,,,0.0,CID4580960,Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)C(C)C)cc12
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+,,,0.0,,,,,0.0,,,,,,,,0.0,CID2712701,O=C(NCCCN1CCCC1=O)c1cccc(C(F)(F)F)c1
+,,,,,,,,,,,,,0.0,,,,CID2260787,S=C(NCCSCc1ccccc1Cl)Nc1ccccc1
+,,,,,,,,,,0.0,,,0.0,0.0,,,CID2362281,Cc1cc(C(=O)OCC(=O)N2CCCC2)c2ccccc2n1
+,,,,,,,,,,,,,0.0,,,,CID787583,Cc1nnc(C)c2c(C)n(-c3ccccc3N)c(C)c12
+,0.0,,0.0,,,,,,,,,,,,,0.0,CID650479,CCOC(=O)CSc1nc2cc(OCC)ccc2cc1C#N
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+,,,,,,,,,,,,0.0,,,,,CID3240481,COc1ccc(N2C(=O)CSC2c2cccc(F)c2)c(OC)c1
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+,0.0,0.0,,,0.0,,0.0,,,,0.0,,,0.0,,,CID5309541,COc1ccc(-c2nc(CS(=O)CC(=O)NCc3ccco3)c(C)o2)cc1OC
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+,,,,,,,,,,,,,0.0,,,,CID2116208,COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC
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+,,,,,,,,,0.0,,,,0.0,0.0,,,CID882632,COc1ccc(OCC(=O)Nc2ccccc2O)cc1
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+,,,,,,,,,,,,,,0.0,,,CID4347607,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CSc1ncn[nH]1
+,0.0,,0.0,,,0.0,,,,0.0,,,,,0.0,0.0,CID2925039,CC(C)N1CC(C(=O)Nc2nc3ccccc3s2)CC1=O
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+,0.0,0.0,0.0,,,0.0,,0.0,,,0.0,,,0.0,,,CID2877164,O=C1CC(NCc2ccncc2)C(=O)N1c1ccccc1
+,,,,,0.0,,,,0.0,,0.0,,,,,,CID867370,c1ccc2cc(OCCN3CCCC3)ccc2c1
+,0.0,,0.0,,,,,,,,,,,,,,CID893486,Cc1nc2cc(NC(=O)NCc3ccc4c(c3)OCO4)ccc2o1
+,,,,,,,,,,,,,,0.0,,,CID9551608,CCN(CCNC(=O)CN(C)S(=O)(=O)c1cccc2nsnc12)c1ccccc1
+,,,,,,,,0.0,,,,,,,,,CID873682,CCOc1ccccc1N1CCN(C(=O)C(F)(F)F)CC1
+,,0.0,,0.0,,,0.0,,0.0,,,0.0,,,0.0,,CID1826320,O=C(CCCCCN1C(=O)c2ccccc2C1=O)NCc1ccccn1
+,0.0,,,,,,,,,0.0,,0.0,,,,,CID3122167,CC(=O)C1=C(O)C(=O)N(CC(=O)O)C1c1ccccc1Cl
+0.0,,,,,,,,0.0,,,,,0.0,,,0.0,CID665547,O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccc(F)c2)N1CCO
+,,,,,0.0,,,,,,,,,,,,CID5396087,CN1C(=O)/C(=C/c2ccccc2OCc2ccccc2F)NC1=S
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID800998,Nc1ccc(Nc2ccccc2)c(Cl)c1
+,,,,,,,,,,,,,0.0,,,,CID3811771,CN(C)C(=O)C1CCC(=O)N1Cc1cccs1
+,,,,0.0,,,0.0,,,,,,,,,,CID3240664,Cc1ccc(S(=O)(=O)n2nc(OC(=O)C3CCCCC3)cc2N)cc1
+,,,,,,,,,,,,,0.0,,,,CID1489577,Cc1ccc(CC(=O)NCCS(=O)c2ccc(Cl)cc2)cc1
+,0.0,,0.0,0.0,,,,0.0,,,,0.0,,,,,CID893369,O=C(Nc1nccs1)c1cccc(NC(=O)C2CC2)c1
+,,,,,,,0.0,,0.0,,,0.0,,,0.0,,CID2215251,COCCCNC(=O)Cn1cc(C(C)=O)c2ccccc21
+,,,,0.0,,,,,,,,,,,,,CID5073230,Cc1nc2sc(C(c3cccs3)N3CC(C)CC(C)C3)c(O)n2n1
+,,,,,,,,,,,,,,0.0,,,CID1475212,COc1ccc(N/C=C2/Sc3ccccc3NC2=O)cc1
+,,,,,,,,0.0,,,0.0,,,,,,CID2908833,O=C(O)CC1SC(N/N=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)=NC1=O
+,,,0.0,,,,,,,,,,,,,,CID651659,CCOC(=O)c1ccccc1NC(=O)CSc1nc2c(c(=O)n(C)c(=O)n2C)n1C
+,0.0,,,,0.0,,0.0,,,,,0.0,,,0.0,,CID659216,CNC(=O)CC(C(=O)O)c1ccc(OC(C)C)cc1
+,,0.0,,,,,0.0,,,,,,,,,,CID757043,C=CCn1c(=O)n(CC=C)c2c(C)cc(C)cc21
+,0.0,0.0,,,,,0.0,,,,,0.0,,0.0,,,CID730726,CCOC(=O)c1c(N)n(Cc2ccco2)c2nc3ccccc3nc12
+,,0.0,,0.0,0.0,,,,,,0.0,0.0,,,,,CID3244743,CSc1cccc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID1473605,CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)cn12
+,,,,,,,,,,,,,,,0.0,0.0,CID1245773,CS(=O)(=O)N1CCN(C(=O)c2cc3ccccc3oc2=O)CC1
+,,,,,0.0,,,,,,0.0,,,0.0,,,CID2599354,COc1ccccc1NC(=O)Cc1coc2cc(C)ccc12
+,,,,,,,,,,0.0,,,,,,,CID991000,NC(=O)C1(N2CCCCC2)CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
+,,,,,,,,,,,,,0.0,,,,CID1078740,CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
+,,,,,,,,,0.0,,,,,,,,CID2238584,CCOCCCNC(=O)CN(Cc1ccc(Cl)cc1)S(C)(=O)=O
+,,,,,,,,,,,,,0.0,,,,CID1179390,O=C(Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1)c1ccccn1
+,0.0,,,,,,,0.0,,,0.0,,,,,,CID647009,COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)C(C)C
+,,,,,,0.0,,,,,0.0,,,,,,CID2881730,CCC(C)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2
+,,,,,0.0,,,,,,,,,,,,CID11958452,CCCC(C)C(=O)Nc1nc(C)c(-c2csc(Nc3cc(OC)ccc3OC)n2)s1
+,,,,,,,,,,,,,,0.0,,,CID4114218,Cc1nc2c(C(=O)N3CCCC3)cnn2c(C)c1Cc1c(F)cccc1Cl
+,,,,,,,0.0,0.0,,,,,,,0.0,,CID3242989,O=C(CN1CCOCC1)N1CCCc2c1c(=O)oc1ccc(OCc3ccccc3)cc21
+0.0,,,,,,,,,,,,,,,,,CID3243263,CCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1
+,,,,,,,,,,,,,,0.0,,,CID2356238,Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4ccc([N+](=O)[O-])o4)cc3)sc2c1
+,,,,,,,,,,,,,0.0,,,,CID2941733,CC(C)c1ccc(OCC(=O)N(c2ccccn2)C2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,,0.0,CID2787052,CC1(C(=O)O)CCC(C(=O)NCCc2ccccc2)C1(C)C
+,0.0,,,0.0,0.0,,,,,,,,,,,,CID665706,c1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1
+,,,,,,0.0,,,,,,,,,0.0,,CID5308490,COc1ccc(-n2c(Cn3c(=O)sc4ccccc43)nnc2SCC(N)=O)cc1
+0.0,,,,,,,,0.0,,0.0,,,0.0,,,0.0,CID2189197,CCCCC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1
+,,,,,,,,,,,,,0.0,,,,CID854216,Cc1ccnc(SCC(=O)c2ccc(Br)cc2)c1C#N
+,,,,,,,,,,,,,,0.0,,,CID994631,Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)cc2)c(C)c1
+,0.0,,,0.0,0.0,,,,,,0.0,0.0,,,,0.0,CID665136,CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1
+,0.0,,,,,,,,0.0,,,,,,,,CID5767414,CCOC(=O)c1c(NC(=O)C2=NC3=NC(C)CC(C(F)F)N3N2)sc2c1CCCC2
+,0.0,,0.0,,0.0,,,,,,0.0,,,0.0,,,CID655020,C=CCOc1ccc(CNc2nn[nH]n2)cc1
+,,,0.0,,,,,,,,,,,,,,CID3244456,CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCC3(CC2)OCCO3)c1
+0.0,,,,0.0,,0.0,,,,0.0,,0.0,,,0.0,,CID651459,Cc1nn(-c2ccccc2)c2sc(C(=O)NC3CCCCC3)cc12
+,,0.0,0.0,,0.0,,,0.0,,,,0.0,,,0.0,,CID658322,CCOC(=O)COn1c(=O)c(-c2cccs2)[n+]([O-])c2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID786884,O=C(CC(CC(=O)c1ccccc1)C(=O)O)c1ccccc1
+,,,,,,,,,0.0,,,,,,,,CID2110801,CCOc1ccc(S(=O)(=O)NCCC(=O)NC2=NCCS2)cc1
+,,,,,,,,0.0,,0.0,,,0.0,,,,CID1167001,CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1
+,,,,,,,,0.0,,,0.0,,,,,,CID977278,Cc1ccc(NS(C)(=O)=O)c(C(=O)c2ccccc2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID1479623,O=c1c(Br)c(NCc2ccccc2)cnn1-c1ccc(F)cc1
+,,,,0.0,,,,,,,,,,,,,CID649577,CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)Nc3nc(C)cs3)o2)cc1
+0.0,,,,0.0,,,0.0,,0.0,,,,,,0.0,,CID1259736,Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1
+,,,,,0.0,,,,,,,,,,,,CID5112708,CCOC(=O)C1=C(C)N(C)C(=S)NC1c1ccccc1Cl
+,,,,,,,,0.0,0.0,0.0,,,,,,,CID348061,Cc1cccc(NCN2C(=O)c3ccccc3C2=O)c1
+,,,,,,,,,,,,,0.0,,,,CID2946964,C=C1C2(C(=O)Nc3ccc(SC(F)F)cc3)CCC(C2)C1(C)C
+,,,,,0.0,,,,,,,,,,,,CID5162203,C=CCSc1nnc(-c2cc3c(-c4ccccc4)nn(C)c3s2)n1C
+,,0.0,,,,0.0,,,,,,,,,,,CID653357,Cc1nc2c(n1O)CCC/C2=N\O
+0.0,,,,0.0,,,,,,,,0.0,,,,,CID2235757,O=C(CSc1nnc(CN2CCOCC2)n1-c1ccc(Cl)cc1)Nc1cc(Cl)ccc1O
+,,,,,,,,0.0,,,,,,,,0.0,CID934744,CCC(NC(=O)NCc1cccnc1)(C(F)(F)F)C(F)(F)F
+0.0,,0.0,,,,,,,0.0,,,,,,0.0,,CID5307840,CC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2C)c1C
+,0.0,,0.0,,,0.0,,,,0.0,,0.0,,0.0,0.0,,CID660241,N#Cc1cc2c(nc1SCc1cccnc1)CCC2
+,,,,,,,,0.0,,,,,,,,,CID662249,Cn1c2c(c(=O)[nH]c1=O)C(NC(=O)c1ccco1)(C(F)(F)F)C(=O)N2
+,,,,,,0.0,0.0,,,,,,,0.0,,0.0,CID613863,CCCCN(CCCC)S(=O)(=O)c1ccc(OC)c2ncccc12
+,,,,,0.0,,,,,,0.0,,,,,,CID2245033,COc1ccc2ccccc2c1CN1CCN(Cc2ccccc2)CC1
+,,,,,,,0.0,,,,,,,,0.0,,CID3237814,CCNC(=O)c1c(C)[nH]c(C(=O)OCC)c1C
+,,,,,0.0,,,,0.0,,,,,,,,CID3424501,CCN(CC)CCNc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)SC3
+,0.0,,0.0,,,,,,,,,0.0,,0.0,0.0,0.0,CID646991,Cc1ccc(Cn2[nH]nc3c(=O)nc(C4CCN(S(=O)(=O)c5ccccc5)CC4)nc2-3)cc1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID5307439,Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCC(=O)Nc1ccccc1
+,,0.0,0.0,,,0.0,0.0,0.0,,,,0.0,,,0.0,,CID764599,O=C(O)c1ccc(N2CCCCC2)cc1
+,,,,,0.0,,,,,,,,,0.0,,0.0,CID2909382,CCOC(=O)C1C(=O)NC(SC)=C(C#N)C1c1ccccc1F
+,,,0.0,,,,,0.0,,,,,,,,,CID3235622,COC(=O)c1[nH]nc2c1C(=O)N(C1CCCCC1)C2=O
+,,,0.0,,,,,0.0,,,,,,,0.0,0.0,CID663138,CCCNC(=O)c1c(N)n(-c2ccc3c(c2)OCO3)c2nc3ccccc3nc12
+,0.0,0.0,,,0.0,0.0,0.0,,,,,0.0,,,,,CID2151001,CCn1/c(=N/C(=O)CN2C(=O)CCC2=O)sc2c(C)cc(C)cc21
+,0.0,,,0.0,,,,,,,,,,,,,CID3242345,COc1ccc2cc3cc(C(=O)N4CCN(Cc5ccc6c(c5)OCO6)CC4)oc3nc2c1
+,,,,,,,,,,,,,0.0,,,,CID875903,Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1C
+,,,,,0.0,0.0,0.0,,,0.0,,,,,0.0,,CID3238459,COc1cccc(CN2C(=O)CN(C3CCCCC3)C(=O)C2c2ccc(F)cc2)c1
+,,0.0,0.0,0.0,,,,,,0.0,,,,,0.0,,CID3237510,Cc1cccc(-n2c(Cc3cc(=O)[nH]c(=O)[nH]3)nnc2SCC(=O)NCc2ccco2)c1
+,,,0.0,,,,,,,0.0,,,,0.0,0.0,,CID1247035,Cc1c(C(=O)N2CCN(S(C)(=O)=O)CC2)oc2ccccc12
+,,,,,,,,,,,,,0.0,,,,CID702628,Cc1ccc(Nc2nc(=O)c(C)n[nH]2)cc1
+,0.0,0.0,,,,,0.0,0.0,,,,,0.0,,,,CID639431,c1ccc2c(c1)ncn2CCn1cnc2ccccc21
+,,,,,0.0,,,0.0,,,0.0,,,,,,CID3157656,CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1nc(C)cs1
+,0.0,,,0.0,,,,,,0.0,,,,,,0.0,CID665851,Clc1ccccc1C1=Nn2c(nnc2-c2ccncc2)SC1
+,,0.0,,,,,0.0,,,0.0,,0.0,,,,0.0,CID655222,OC(CN1CCN(c2ccccn2)CC1)Cn1c2ccccc2c2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID3794468,O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1
+,0.0,,,,,,,,,,,0.0,,,,,CID658504,CCCCc1nc(NCCN2CCOCC2)c(C#N)c2c1COC(C)(C)C2
+,,,,0.0,,,,,,,,,,,,,CID2957947,COC(=O)c1ccccc1NC(=O)CC(NCc1ccccc1)C(=O)O
+,,,,,,,,,,0.0,,,,,,,CID1366893,CCOC(=O)c1c(NC(=O)CCCN2CCOCC2)sc2c1CC(C)(C)OC2
+,,,,,,,,,,,0.0,,,,,,CID1219126,Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cc3c(cc2[N+](=O)[O-])OCO3)cc1
+,,,,,,,,,,,,,0.0,,,,CID2754576,COc1ccc(C(=O)c2ccccc2Cl)cc1OC
+0.0,0.0,,0.0,0.0,,,,,,0.0,,,,,,,CID674097,Cc1sc2nc(SCC(=O)N3CCOCC3)[nH]c(=O)c2c1C
+,,,,,,,,,,0.0,,,,0.0,,,CID969847,Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)CC2=O
+,,,,,,,,0.0,,,,,,,,,CID2950529,Cc1nn(CC(O)c2ccccc2)c(C)c1Br
+,,,,,,,,0.0,,0.0,,,,,0.0,0.0,CID2335281,Cc1cc(SCC(=O)OCC(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)cc1Br
+,,,,,,,0.0,,0.0,,,0.0,,,,,CID3237010,Cn1cnc(S(=O)(=O)N2CCc3ccccc32)c1
+,,,,,,,,,,,0.0,,,,,,CID4964037,CC(OC(=O)Cn1c(C(F)(F)F)nc2ccccc21)C(=O)N1CCCc2ccccc21
+,,,,,0.0,,,0.0,0.0,,,,0.0,,,,CID951167,Cc1ccc(C(=O)COc2nc(C)cc(C)c2C#N)cc1
+,,,,,,,,,,,,,0.0,,,,CID5921293,OC1/C(=C/c2ccc(F)cc2)N2CCC1CC2
+,0.0,0.0,,0.0,,0.0,,,0.0,0.0,,,,0.0,,,CID665182,CSCCC(NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(F)c2)o1
+,,,,0.0,,,0.0,,,,,,,,,,CID3245770,CCOc1ccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)NCC4CCCO4)c(=O)c3c2)cc1
+,0.0,,0.0,,,,,,,,,,,,,,CID654957,CCCn1c(SCC(N)=O)nnc1C(C)C
+,,,,0.0,,,,,,,,,0.0,,,,CID2992722,COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1OC
+,,,,,,,,,0.0,,,,,,,,CID2906742,CC(C)CNC(=O)CCCc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID850695,Cc1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1
+,,0.0,,,,0.0,,,,,,,,,,,CID661587,COc1ccccc1C1(CC(=O)N2CCOCC2)CCOC(C(C)C)C1
+,,,,,,,,,,,,,0.0,,,,CID916996,CCOC(=O)c1sc2nc(C)c3c(c2c1N)CC(C)(C)OC3
+,,,,,0.0,,,0.0,,,0.0,,,0.0,,,CID2978810,CC1CCc2c(sc(NC(=O)C(=O)NCc3ccco3)c2C#N)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID833415,CCN(CC)C(=S)NC(=O)c1cc(OC)c(OC)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID4878700,COc1ccc(C(C)=O)cc1CC(C(=O)c1ccc(C)c(C)c1)N(C)C
+,,,0.0,,,,0.0,,,,,,,,,,CID2933372,Cc1c(NC(=O)C2CC=CCC2C(=O)O)c(=O)n(-c2ccccc2)n1C
+,,,,,,0.0,,,,,,,,,,0.0,CID877401,O=c1cc(O)nc(SCc2ccc(Cl)cc2)[nH]1
+,,,,,,,,0.0,,,,,0.0,,,,CID229604,O=C(NS(=O)(=O)c1ccccc1)c1ccccc1
+0.0,,,,0.0,,,,0.0,0.0,,,,,,0.0,,CID969139,Cc1cc(C)n(C(=O)COc2c(C)cccc2C)n1
+,,,,,,,,,,,,,,,,0.0,CID2166584,COc1ccc(C(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(OC)c1
+,,,0.0,,,,,,,,,0.0,,,,,CID2201573,Nc1nonc1-n1nnc(C(=O)O)c1-c1cccs1
+,,,,,,,,,,,0.0,,,,,,CID5054449,CCN(CC)c1ccc(C(=O)OCC(=O)NCC2CCCO2)cc1
+,,,,,,,,0.0,0.0,,,,,,,,CID1858980,Cc1ccccc1OCC(=O)Nn1c(COc2ccccc2)nc2ccccc2c1=O
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID5389676,CCCCN1C(=O)NC(=O)/C(=C(/CC)NCc2ccc3c(c2)OCO3)C1=O
+,0.0,,,,,,,,,,0.0,,0.0,,,,CID753711,Cc1ccnn2c(-c3ccccc3)c3c(=O)n(C)c(=O)n(C)c3c12
+,,,,,,,,,,,,,,,,0.0,CID665806,Brc1ccccc1C1=Nn2c(nnc2-c2ccccc2)SC1
+,,,,,,,,,,,,,,0.0,,,CID4878433,Cc1noc(C)c1C(=O)NC(C)c1ccc(Cl)cc1Cl
+,,0.0,,,,,0.0,,,0.0,,,,,0.0,,CID653907,CCOc1cc(S(=O)(=O)NCCc2cccc(C)c2)c(OCC)cc1-n1cnnn1
+,,,,,0.0,,,,,,0.0,,,,,,CID977785,O=[N+]([O-])c1ccc(-c2cnc(SCc3ccccc3Cl)[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID772593,C/C(=N\NC(=O)c1nn(C)cc1Br)c1ccncc1
+,,0.0,0.0,,,,,,,,0.0,0.0,,,,,CID652506,COCCn1nnnc1CN1CCC(NC(=O)Nc2cccc(OC)c2)CC1
+,,,,,,0.0,0.0,,0.0,,0.0,0.0,0.0,,0.0,0.0,CID2203342,Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCCc3ccccc32)cc1
+,,,,,,,,,,,,,,0.0,,,CID902715,CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C
+0.0,,,,,,,,,,,,,,,0.0,0.0,CID3731453,O=C(CSCc1cccc(Br)c1)N1CCOCC1
+,,,,,,,0.0,0.0,,0.0,,,,,,,CID2233355,O=C1c2ccccc2C(=O)N1CCCCCC(=O)N1CCc2ccccc21
+,,,,,,0.0,0.0,,,,,,,,,,CID3244570,COCCNC(=O)c1cc(-c2ccc3c(c2)OCO3)on1
+,,,,,,,,,,,,,0.0,,,,CID987986,COc1ccccc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID2952807,O=C1CCC(=O)N1N1C(=O)C2C3c4ccccc4C(c4ccccc43)C2C1=O
+,0.0,,,,,,,0.0,0.0,,,,,,0.0,0.0,CID2188417,CCn1c(CNC(=O)COc2c(C)cccc2C)nnc1SCC(=O)Nc1nccs1
+,,,,,,0.0,,0.0,0.0,0.0,,,,0.0,0.0,,CID3237367,CCN(CC)CCn1c(SCC(=O)NCc2ccco2)nc2c(sc3ccccc32)c1=O
+,0.0,,,,,0.0,0.0,,,,,,0.0,,,,CID807561,Cc1cc(-c2ccccc2)nc2cc(C(N)=O)nn12
+,,0.0,,,,0.0,,0.0,,,,0.0,,,,,CID2194475,Cc1oc2c(c1C(=O)NCc1ccccc1)CCCC2
+,0.0,,,,,,0.0,,,,,0.0,,,,,CID2215072,C=CCSc1n[nH]c(-c2ccc(OCCCC)cc2)n1
+,,,,,,,,,,,,,,,0.0,,CID3281512,CCCCn1c(CNC(C)=O)nc2ccccc21
+,,,0.0,0.0,,,0.0,,,,,,,,,0.0,CID3242991,CCOC(=O)c1cccc(NC(=O)CCn2cccc2)c1
+,,,,0.0,,,,,,,,,,,,,CID665344,COc1ccc2nc3c(cc2c1)c(NC(=O)C1CCCO1)nn3CC(C)C
+,,,,,0.0,,,,,,,,0.0,,,,CID2827985,Cc1ccc(OC(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1
+,,,,,,,,,,,,,,0.0,,,CID2124745,Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nccs3)cc12
+,0.0,,,,,0.0,,,,,,,,,,0.0,CID2336875,Cc1cnc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cn1
+,,,,,,0.0,0.0,,0.0,0.0,,,,0.0,,,CID684435,CC(C)(C)NC1=CC(=O)OC12CCCCC2
+,,,,,,,,,,0.0,,,,,,,CID151814,O=C(CCC(=O)c1cccs1)c1cccs1
+,,,,,,,,,0.0,0.0,0.0,,,,,,CID3169045,COc1ccc(C(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID2377036,O=C(Nc1ccc2cn[nH]c2c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID976209,O=C(c1ccccc1-c1ccccc1)N1CCOCC1
+0.0,,0.0,,,,,,,,,0.0,0.0,,,,,CID652686,COc1ccccc1NC(=O)N1CCCC1C(=O)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,,,,,0.0,,,,CID4876042,COc1ccc(COCC(O)CN2CCC(C(N)=O)CC2)cc1OC
+,,0.0,0.0,,,,,,,,,,,,,,CID658726,CCOC(=O)c1ccc(NC=C2C(=O)CC(c3ccco3)CC2=O)cc1
+,,,,,,,0.0,,,,,,,,,,CID5741547,C/C=C/c1ccc(OCCCNCC(C)O)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID1447224,O=S(=O)(c1ccc(F)cc1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
+,0.0,,0.0,,,,0.0,,,,,,,,,,CID5742528,CCOC(=O)C1CCCN(CC(=O)/C=C2/N(C)c3ccccc3C2(C)C)C1
+,0.0,,0.0,,,,,,,0.0,,,,,0.0,,CID658999,CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)N2CCCCC2)c1
+,,,,,,,,,0.0,,0.0,,,,,,CID2941681,COc1ccc(CCN2C(=O)C3CC=C(C)CC3C2=O)cc1OC
+,,,,0.0,,,,,,,,0.0,,,0.0,,CID648096,CC1CCN(S(=O)(=O)c2ccc(NC(=O)CSc3ncccc3C(=O)O)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID1017709,COc1ccccc1-c1cc(C(=O)N/N=C/c2cn(C)nc2C)c2ccccc2n1
+,,,,,,,,0.0,,,,,0.0,,,,CID725863,CCCc1ccc(OCc2ccc(C(=O)O)o2)c(OC)c1
+,,,,,,,,,,,,,0.0,,,,CID2295386,COc1ccc2c(c1)OC/C(=C/c1cccs1)C2=O
+,,,,,,,0.0,,,,,,,,,,CID2862269,CC(=O)C1=C(C)NC(SCC(N)=O)=C(C#N)C1c1cccnc1
+0.0,,,,0.0,,,,0.0,,,,,,,,,CID3242186,Cc1ccc2cc3cc(C(=O)N(C)c4ccccc4)oc3nc2c1
+,,,,,0.0,,,,,,,,,,,,CID625611,COc1cccc2c1C(=O)c1ccc3ccccc3c1C2=O
+,0.0,,0.0,,0.0,,,,0.0,,0.0,,,,0.0,,CID3239438,Cc1cccc(-n2c(CNC(=O)COc3ccccc3)nnc2SCC(=O)Nc2nccs2)c1
+,,,,,,0.0,,,,,,0.0,,,,,CID655462,CC(=O)OC1COC(n2ccc3ccccc32)C(OC(C)=O)C1OC(C)=O
+0.0,,0.0,,0.0,,,,,,,,,,,,,CID3245972,CCCN1Cc2cccc(C(=O)NCc3cccs3)c2C1=O
+,0.0,,,,,,,,,,0.0,0.0,,,,,CID652557,O=C(CCN1CCN(Cc2ccccc2)CC1)Nc1nccs1
+,,0.0,,0.0,,0.0,0.0,0.0,0.0,0.0,,,,,,,CID829037,Cc1onc(-c2ccccc2)c1C(=O)NC(C)C
+,,,,0.0,,0.0,,0.0,,,,,,,,0.0,CID648715,CCOC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)CC1
+,,,,,0.0,,,,,,,,0.0,,,,CID2164006,CCCCN(CC)C(=O)/C=C/c1cccc([N+](=O)[O-])c1
+,,,,,,,,,,,,,,,,0.0,CID973422,O=C(CCN1C(=O)c2ccccc2C1=O)Nc1ccc(F)cc1F
+,,,,,,,,,,,,,0.0,,,,CID2063875,O=C(O)COc1ccc2c3c(c(=O)oc2c1)CCCC3
+,,,,,,,,,,,,,,0.0,,,CID1008070,CCOc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCC
+,,,,,,,,0.0,,0.0,,,,,,,CID1965009,Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccnc2)C3=O)cc1
+,,,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,CID3239017,CCOc1ccc(OCC)c(NC(=O)C2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1
+,0.0,,,,,,,,,,,0.0,,,,,CID714193,CC(C)Nc1nc(-c2ccccc2)nc(-n2ccnc2)n1
+,,,,,0.0,,,,,,,,,,,,CID2402693,COCCOC(=O)c1sc(=S)n(CCOC)c1N
+,,0.0,,,,,0.0,,,,,,,,0.0,,CID2127219,CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)Nc2ccccc2N2CCOCC2)c1
+,,,,0.0,,,0.0,0.0,0.0,,0.0,,,,,,CID3239597,Cn1c2ccccc2c2c(C(=O)N3CCC4(CC3)OCCO4)cn(C3CCCC3)c(=O)c21
+,0.0,,,,,,,,,0.0,0.0,0.0,,,,,CID2999878,CC1=C(C#N)C(c2ccc3ncccc3c2)C(C#N)=C(C)N1
+,,0.0,,,,,,,0.0,,,0.0,,,,,CID2195327,CSc1ccc(S(=O)(=O)NCCOc2ccccc2C)cc1
+0.0,,0.0,,0.0,,,0.0,,,0.0,,0.0,,,,0.0,CID2188953,CCOc1ccc(NC(=O)CSc2nnc(COc3c(C)cccc3C)o2)cc1
+,,0.0,,0.0,0.0,,,,0.0,,,,,,0.0,,CID2904872,COc1ccc2ccccc2c1C(O)c1nccn1C
+,,,,,0.0,,,,,,,,,,,,CID3284558,COC(=O)CC12CC3CC(C1)CC(CC(=O)OC)(C3)C2
+,,,,0.0,,,,,0.0,,,,,,,,CID2968596,CSc1ccccc1C(=O)NC1CC2CCC1C2
+,,,,,0.0,,,,,,,,,,,,CID1009537,COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
+,,,,,,,,,,,,,,0.0,,,CID1484191,COC(=O)c1noc(-c2ccc(C)cc2)n1
+,0.0,,,,,,,,,,,0.0,,,,,CID749680,c1ccc(Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1
+,,,,,,,0.0,,,,,,,,,,CID3236668,CC(=O)N1CCc2cc(S(=O)(=O)NC(CC(C)C)C(=O)N3CCn4c3nc3ccccc34)ccc21
+,,,,,,,,,,,,,,0.0,,,CID863092,O=C(CCn1nnc2ccccc21)NNC(=O)C1CCCCC1
+,,,,,,,,,0.0,,,0.0,,,,0.0,CID658600,CCC(=O)N1c2ccccc2C(N(C(C)=O)c2ccccc2)CC1C
+,,,,,,,,,,,,,,,,0.0,CID3243054,CCn1c(=O)cc(OCC(=O)NCc2ccc(C)o2)c2ccccc21
+,,,,,,,,,,,,,,0.0,,,CID2894460,CCOc1ccc2nc(SC3CC(=O)N(c4ccc(OC)cc4OC)C3=O)sc2c1
+,0.0,,,,,,,,,,,0.0,,,,,CID5389899,COc1ccc(CC(=O)NC2=NC3=NC(=O)CC(c4ccccc4)N3N2)cc1OC
+,,,,,,,,0.0,,,0.0,,,0.0,,,CID2212622,C=CCn1c(CNC(=O)c2cccs2)nnc1SCC(=O)Nc1ccc(C(=O)O)cc1
+,,,,,,,,0.0,,,,,,,0.0,,CID648664,CCCCCc1c(O)nc(SCC(=O)NCC2CCCO2)[nH]c1=O
+,,,,,,,,,,0.0,,,,,,,CID1153439,Cc1ccc2cc(C)c3nnc(SCC(=O)N4CCN(C(=O)c5ccco5)CC4)n3c2c1
+,,,,,,,,,,,,,,0.0,,,CID992130,O=C(CCSc1nnc(-c2ccncc2)o1)Nc1cccc(Cl)c1
+0.0,,,0.0,,,0.0,0.0,,0.0,0.0,,,0.0,,,,CID659649,Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4
+,,,,,,0.0,,,,,,,,,,,CID651233,CCCn1c(-c2ccc(F)cc2)cnc1SCC(=O)O
+0.0,,,,,,,,,,,,,,,,,CID2952996,CNc1nnc(CSc2nc(C)cc(C)n2)s1
+,,,,,,,,,0.0,0.0,,0.0,,,,,CID2857390,O=c1cccc2n1CC1CC2CN(Cc2ccc3c(c2)OCO3)C1
+0.0,0.0,,,,0.0,,,0.0,,,,,,,,,CID3237044,CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1
+,,,,,,,,,,,,0.0,,,,0.0,CID3241115,O=C(NCCCN1CCCCCC1)c1ccc(CS(=O)(=O)Cc2ccccc2F)o1
+,,,,,,,,,,,,,0.0,,,,CID2389091,COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12
+,,,0.0,,,,,,0.0,,0.0,,,,,,CID234754,CCCC1(CCC)NC(=O)NC1=O
+0.0,,,,,,,,,,,0.0,,,,,0.0,CID881707,C=C(Br)Cn1c(CC(C)C)nc2ccccc21
+,,,,,,,,,0.0,,,,,,,,CID3135481,Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1
+0.0,,,,,,,,,,,,,,,,,CID5309389,CCOC(=O)N1CCN(c2c(NCc3ccccc3OC)c(=O)c2=O)CC1
+,,,,,,,,,,,0.0,,,,,,CID950532,C=C(Br)Cn1c(CC)nc2ccccc21
+,,,,,,,,,,,,,0.0,,,,CID5171892,CC1CCCCC1NC(=O)CO/N=C/c1ccccc1OC(F)F
+0.0,,,,,,,,,,,,,,,,,CID3241697,CCOc1ccc(CCNC(=O)C(C)n2nc(C)n3c(cc4occc43)c2=O)cc1OCC
+,,,,,,,,0.0,,,,,,,,,CID2059071,COCc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
+,,0.0,,,,,,,,,,,,,,,CID651881,COc1ccc(CCNC(=O)CSc2cc(=O)[nH]c(N)n2)cc1OC
+,,,,,0.0,,,,,,,,,,,,CID2891523,Cc1ccc(C(=O)N/C(=C\c2ccc(F)cc2)C(=O)NCCCN2CCOCC2)cc1
+0.0,,0.0,0.0,,,0.0,0.0,,,,0.0,0.0,0.0,0.0,0.0,,CID974197,CCNc1oc(-c2cccc3ccccc23)nc1C#N
+,,,,0.0,0.0,,,,,,,,,,,,CID3244519,CC(NC(=O)c1cc2ccccc2o1)c1cccs1
+0.0,0.0,0.0,,,,,,,,,,,,,,,CID3241182,O=C(NCC(c1cccnc1)N1CCN(c2ccccc2)CC1)OCc1ccccc1
+0.0,,,0.0,,,,,,0.0,,,,,,0.0,,CID5307837,COc1cccc(C2C(C(=O)OCc3ccccc3)=C(C)N=C3N=CNN32)c1OC
+,,,0.0,,,,,0.0,,,,,,,,,CID3102229,O=C(NCCc1c[nH]c2ccccc12)C(F)(F)C(F)F
+0.0,,0.0,,,,0.0,,,,,,0.0,,,,,CID664467,N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCc1cccnc1
+,0.0,,,,,,,,,,,0.0,,,,,CID4373006,CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1
+,,,,,,0.0,0.0,,,,,,,,,,CID2860985,CC(C)C1C2=C(CC(C)(C)CC2=O)ON1c1ccccc1
+,,,,,,,,,,,,,0.0,,,,CID4223229,CC1(C)CC(C)(c2ccc(O)cc2O)N(c2cccc(Cl)c2)C(=S)N1
+,,,,0.0,,,,,,,,,,,,,CID3641574,Cc1c(C)n(C)c2ccc(C(=O)NCc3cccs3)cc12
+,,0.0,0.0,,,0.0,,,,,0.0,,,,,,CID664538,Cc1nc2c3cnn(-c4ccccc4)c3ncn2n1
+,0.0,0.0,,,,,,0.0,,0.0,0.0,,,,,,CID656242,CN(C)C(=O)c1ccc(NC(=O)c2cccnc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID2930707,CCC(C(=O)Nc1ccsc1C(=O)OC)c1ccccc1
+0.0,,0.0,,,,,,,,,,,,,,,CID1245960,Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(Cn2cccn2)c1
+,,,,,,0.0,0.0,,,,,,,,,,CID1622478,COCCNC(=O)c1c(N)sc2c1CCCC2
+0.0,,,,,,,,0.0,,,,,,,,0.0,CID2695306,CCOC(=O)/C=C1\SCC(=O)N1Cc1ccc(Br)cc1
+,,,,,0.0,,,,,,,,0.0,,,,CID663987,CCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc2ccccc12
+0.0,,,,,0.0,,,,,,0.0,,,,,,CID666694,Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)c3ccncc3)cc2c1
+,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,,,CID743142,COc1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1
+0.0,0.0,,,0.0,,,,,,0.0,,,,,,,CID2422597,O=C(Cn1nnc(-c2ccccc2)n1)OCc1csc(-c2ccccc2)n1
+0.0,0.0,,0.0,,,,,,0.0,,0.0,,,,,,CID2849790,Cc1ccccc1C(NC(N)=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID2939655,Cc1nc([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1Cc1ccccc1
+,,,,,,,,,,,,,,0.0,,,CID1357865,COc1ccc(N(CC(=O)NCc2ccncc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
+,,,,,,0.0,,,,,,,,,,,CID5310746,CC(C)C(=O)N1CCC(CNC=C2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)CC1
+,0.0,,0.0,,,0.0,,,0.0,,,,0.0,,,,CID684173,O=C(c1cc2ccccc2o1)c1cccs1
+,,,,,,,,,0.0,,,,,,0.0,,CID3239452,COC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C
+,,,,,,,,,,,,,0.0,,,,CID743491,COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1
+,,,,,,,,0.0,,,,,,0.0,,0.0,CID660370,Cn1ncc2c(Nc3ccccc3Br)ncnc21
+,,0.0,,,,,,,,,,0.0,,,,,CID5308809,CCOc1ccccc1C1N(c2ccc(OC)cc2)C(=O)C2CCCN21
+0.0,,0.0,,,,,,,,,,,,,,,CID5308178,Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCCC(C(=O)NCCCN2CCCC2=O)C1
+,,,,,,,,,0.0,,,,,,,,CID2299505,O=C(CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1)NC1CC1
+,,,,0.0,0.0,,,,,,,,,0.0,,,CID644552,CC(=O)Nc1cccc(NC(=O)CSc2nnnn2Cc2ccccc2)c1
+0.0,,,,0.0,,,,,,,,,,,,,CID3241939,Cc1nc2ccc(CCO)cc2s1
+,,,,,,,,,,,,,,,0.0,,CID3246768,CC1(C)CC(CCC(=O)Nc2ccccc2Cl)C(=O)O1
+,,,0.0,,,,,0.0,,,,,0.0,,,0.0,CID969636,CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1
+,,0.0,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,CID663019,Cc1c(-c2ccc(F)cc2)nc(N)c(C#N)c1-c1ccco1
+,,,,,,,,0.0,,,,,,0.0,,,CID814698,Cc1ccc(OCC(=O)Nn2cnnc2)c(Br)c1
+0.0,,,,0.0,,0.0,0.0,,,,,,,,,0.0,CID647326,CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)c1ccc(OC)cc1
+0.0,,0.0,,,,,,,,,,,,,,0.0,CID3236747,CC1CCN(CCCNC(=O)C2CC(=O)N(C3CCCCCC3)C2)CC1
+,,0.0,,0.0,,,,0.0,,0.0,,0.0,,,0.0,,CID653159,C=CC/N=C1\SCC(=O)N1S(=O)(=O)c1ccccc1
+,,,,0.0,,,,,,,,0.0,0.0,,,,CID649921,COc1ccc(Cn2c(=O)sc3ccccc32)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID653595,O=C(CSc1nnc(-c2ccccn2)n1Cc1ccccc1)NC1CCCC1
+,,,,,,,,0.0,,,,,,,,0.0,CID383681,CCOC(=O)C(NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F
+,,0.0,0.0,,,,,,,0.0,,,0.0,,,0.0,CID2100159,CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnnn3-c3ccc(O)cc3)[nH]c2c1
+,,,,,,,,,,,,,0.0,,,,CID5771358,CC1=C(C(N)=O)C(c2cccs2)N2NC(c3cccc(Cl)c3)=NC2=N1
+0.0,0.0,0.0,,0.0,,0.0,,0.0,0.0,,0.0,,,,,,CID649211,Cc1ccc(-c2nnc(SCC(=O)Nc3nc4c(s3)CCCC4)n2C)cc1
+,,,,,,,,,,0.0,,,,,,,CID2921011,COCCNC(=S)NC12CC3CC(CC(C3)C1)C2
+,,,,,,,,,0.0,,,,,,,,CID651509,Fc1cccc(Cl)c1Cn1nnc2c(NCc3ccccn3)ncnc21
+,,,,,,,,,,,,,0.0,0.0,,,CID1487590,O=c1nc(SCc2ccc(Cl)cc2)[nH]c2ccsc12
+,,,,,,,,,,,,,0.0,,,,CID2899100,O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCCC1
+0.0,,0.0,0.0,,,,,,,,,,,,,,CID4384136,COc1cccc(C(=O)Nc2cc(C)c3c(=O)oc4ccccc4c3n2)c1
+,,,,,,,,,,,0.0,0.0,,,,0.0,CID5307911,Cc1ccccc1-c1nc(CN2CCC(C(=O)NC3CCN(Cc4ccccc4)CC3)CC2)c(C)o1
+,,,,,0.0,,,,,,,,,,,,CID2829642,O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCCCC1
+,,0.0,0.0,,0.0,,0.0,0.0,,,0.0,,,,,0.0,CID653218,O=C(NCCc1nc2ccccc2[nH]1)c1ccco1
+,,,,,,,,,,,,,0.0,,,,CID1796573,COc1ccc2nc(NC(=O)CSc3nc(=O)cc(C)[nH]3)sc2c1
+,0.0,,,,,,,,,,,,,,0.0,,CID5308930,O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)Nc4nccs4)CC3)ccc2N1
+,0.0,,,,,,0.0,,0.0,,0.0,0.0,,,,,CID1287918,O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc2ccccc2o1
+,0.0,,,,,,,0.0,,,,0.0,,,,,CID669633,CCOC(=O)N1CCN(C(=O)N2CCOCC2)CC1
+,,,,,,,,,,,,,0.0,,,,CID2767038,CN(C)C(=O)c1nnsc1Sc1ccc(Cl)cc1
+,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID645384,Cc1cc(NCCCn2ccnc2)n2c(nc3ccccc32)c1C#N
+,,,,0.0,,,0.0,,0.0,0.0,,0.0,,,,,CID650255,COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCCC3)CC2)cc1OC
+,,,,,,,,0.0,,,,,0.0,,,,CID832210,COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1
+,0.0,0.0,0.0,,,,0.0,,,,,,,,,,CID756386,COCc1cc(C)nc(Nc2ccccc2C)c1C#N
+,,,,,,0.0,,,,,,0.0,,,,,CID2371784,Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3
+,,,,0.0,,,,,0.0,,,,,,0.0,,CID2961995,N#CC1=C(N)Oc2n[nH]c(CSc3ccccc3)c2C12C(=O)Nc1ccccc12
+,,,,,,,,,0.0,,,,,,,,CID1144272,CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(OC)cc1
+,,,,,,,,,,,,,0.0,,,,CID972070,COc1cc(C)c(S(=O)(=O)N2CCN=C2c2ccccc2)cc1C
+,,,,,,,,,,,,,,0.0,,,CID16194926,Cc1ccc(-c2ccc3nnc(SCC(=O)NCC4CCCO4)n3n2)cc1
+0.0,,,,0.0,,,,,,,,,,,,,CID1318352,COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2C(F)(F)F)cc1
+0.0,,,,,,0.0,,,,,,,,,,,CID3242501,CC(NC(=O)Nc1nnc(C(F)(F)F)s1)N1C(=O)C2C3C=CC(C3)C2C1=O
+0.0,0.0,,,,0.0,,0.0,,,,,,0.0,,,0.0,CID2064477,COCCCN1Cc2cccc(C(=O)O)c2C1=O
+0.0,,,0.0,0.0,,,,,,,,,,,,,CID3245920,Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1
+0.0,,0.0,,0.0,,0.0,,0.0,,0.0,,,0.0,,,0.0,CID2882964,O=C(Nc1nccs1)C12CC3CC(C1)CC(C(=O)Nc1nccs1)(C3)C2
+,,,,,,,,,0.0,,,,,,,,CID1545965,CCNC(=O)c1sc(=S)n(-c2ccc(C)cc2)c1N
+,,,,,0.0,,,,,,,,,,,,CID739219,CCC(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1
+,,0.0,,,,,,,,,,,0.0,,,,CID727600,O=c1[nH]cnc2scc(-c3ccc(F)cc3)c12
+,,0.0,,0.0,,0.0,,,0.0,,,,,,,,CID658136,CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3
+0.0,,,,,,,,,,0.0,0.0,,,,,,CID5309527,CCCc1cc(C(=O)Nc2sc3c(c2C#N)CCC3)no1
+,,,,,,,,,,,,,,0.0,,,CID2936792,CCOC(=O)c1ccc(N2C(=O)C(CC(N)=O)N(CCc3ccc(OC)c(OC)c3)C2=S)cc1
+,,,,,,,,,,,,,0.0,,,,CID2409896,Cc1noc(C)c1COC(=O)/C=C/c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,,,,CID3529610,C/C(=N\NC(=O)c1nn(C)cc1Br)c1cccc(NC(=O)C2CCCC2)c1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID2996895,O=C1CC(c2ccsc2)c2cc3c(cc2N1)OCCO3
+,,,,,,,,,0.0,,,,,,,,CID725819,CCc1c(C)sc(NC(=O)c2cccs2)c1C(N)=O
+,,,,,,,,,,,,,,0.0,,,CID2726018,O=C1CCCN1CC(O)CS(=O)(=O)c1ccccc1
+,,,0.0,0.0,,,,0.0,,0.0,,,0.0,0.0,,,CID644587,Cc1sc2nc(SCC(=O)NCc3cccs3)[nH]c(=O)c2c1C
+,,,,,0.0,,,,0.0,,,,,,,,CID2675083,COc1ccc(OCC(=O)Nc2nnc(C)s2)cc1
+,,0.0,,0.0,,,,,,,,,,,,,CID658738,CCc1nc2sc3c(c2c(=O)o1)CCCC3
+,,,,,,,0.0,,,,,0.0,,,,,CID2362094,Cc1cccc(OCC(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID2610943,COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2CC(C)C)o1
+,0.0,,,0.0,,,0.0,,0.0,,,,0.0,0.0,,,CID648116,CCCNC(=O)N1C2CCC1CC(O)(c1cccnc1)C2
+0.0,,,0.0,,,,,,,,,,,,0.0,,CID941932,c1ccc(CN2CCC3(CC2)Nc2ccccc2CO3)cc1
+,,,,,,,,,,,,,,,,0.0,CID2973567,Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1
+,,,,,,,,,,,,,0.0,,,,CID935720,O=Cc1ccc(OC(=O)c2cc(Cl)nc3ccccc23)cc1
+,,,,,,,,,,,,,0.0,,,,CID1678884,COCc1cc(C)nc(OCC(=O)N/N=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)c1C#N
+,,,0.0,0.0,,0.0,,,,,,,,,,,CID783744,CCOC(=O)N1CCN(Cc2cccs2)CC1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID1073127,CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
+0.0,,,,,,0.0,,,,,0.0,,,,,0.0,CID2193237,CC(=O)Nc1ccc(N/C=C/C(=O)c2ccc(C)o2)cc1
+0.0,,0.0,,,0.0,,,,,,0.0,,,,0.0,,CID752941,O=C(COc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1
+,,,,,,,,,,0.0,,,,,,,CID3196588,COCCN(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1cccs1
+,,,,,,,,,,,,,,0.0,,,CID4840272,Cc1sc2nc(COC(=O)C(NC(=O)c3ccc(Cl)cc3Cl)C(C)C)[nH]c(=O)c2c1C
+,0.0,,0.0,,,0.0,,,,,,,,,0.0,0.0,CID2018334,CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1nnc(C)s1
+,,,,,,,,,,0.0,,,,,,,CID9550220,Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC(C(=O)NC4CCCc5ccccc54)C3)ccc21
+,0.0,,,0.0,,0.0,,,,,,,,,,,CID647705,CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1
+,,,,,,0.0,0.0,,,,,0.0,,0.0,0.0,0.0,CID81146,O=C(O)c1cc2cc(OCc3ccccc3)ccc2[nH]1
+,0.0,,,,,,,,,0.0,,0.0,,,0.0,0.0,CID2174397,CCNc1nnc(-c2ccccc2OC)s1
+,,,,,,,,0.0,0.0,0.0,,0.0,0.0,,0.0,0.0,CID725617,O=C(CCOc1ccccc1)NCc1ccccc1
+,0.0,0.0,,,,,,0.0,,0.0,,,,,0.0,0.0,CID3240447,CCc1cccc(NC(=O)CCS(=O)(=O)c2cccc3nonc23)c1
+,,,,,0.0,,,0.0,0.0,,,,,0.0,,,CID2307600,COCCNC(=O)COc1cccc(Oc2ccccc2)c1
+,,,,,,0.0,0.0,,,,,0.0,,,0.0,,CID870380,C=CCc1c(C)[nH]c2ccc(C)cc2c1=O
+,,,,,,,,,,0.0,,,,,,,CID2478108,CC(=O)N1CCN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)CC1
+,,,,,0.0,,,,,,,,,0.0,,,CID5348213,COc1ccc(C/C(N)=N/OC(=O)c2cccc([N+](=O)[O-])c2)cc1
+,,,0.0,,,,,,,,,,0.0,,,,CID663829,COc1ccccc1C1C2CCCCC2(O)CCN1CC(=O)Nc1ccccc1
+,,,,,,,,,,,,,,,0.0,,CID652496,CCCCCc1c(O)[nH]c2ccccc2c1=O
+,,,,0.0,0.0,,,,,,,,,,,,CID3245340,COCCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)SC(C)C2
+,,,,,,,,,,,,,,,0.0,,CID5308730,CCc1ccc(C2CC(c3ccc(Cl)cc3)N3NC(N)=NC3=N2)cc1
+,,,,,,,,,0.0,,,,0.0,,,,CID1565361,C=CCNC(=O)CCCOc1ccc(C)cc1
+,,,,,,,,0.0,0.0,,0.0,,,,,,CID850073,CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CCOCC1
+,,,,,,,,0.0,,,0.0,,,,,,CID895289,O=C(NCCc1c[nH]c2ccccc12)Nc1cccc2ccccc12
+,,,,,,,,,,,,0.0,,,0.0,,CID5742471,C/C(N)=C(/C#N)C(=O)CSc1nnc(Nc2cccc(C)c2)s1
+0.0,,0.0,,0.0,,0.0,0.0,,,0.0,,,,,,0.0,CID663280,C=CCn1c(SCC(=O)Nc2ccccc2CC)nnc1-c1ccncc1
+,,,,,0.0,,,,,,,,,,,,CID3241878,CCOc1ccc(-c2nnc3ccc(SC)nn23)cc1
+0.0,,,,,,0.0,0.0,,,0.0,,,,,,,CID650466,CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3c2ccc(C)cc2)n(C)c1=O
+,0.0,0.0,,,,,,,,,0.0,0.0,,,,,CID2565430,CC(C)CCNC(=O)NC(=O)COc1ccccc1C#N
+,,,,,,,,,,,,,0.0,,,,CID736143,O=S(=O)(/C=C/c1ccccc1)c1ccccc1
+,,,0.0,,,0.0,,0.0,,,,0.0,,0.0,0.0,,CID923207,COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C1
+,,,,,,,,,0.0,,,,,,,,CID1075431,COc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1OC
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+,,0.0,0.0,,,0.0,,,0.0,0.0,,,,,0.0,,CID653672,NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1
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+,,,,,,,,,,,,,0.0,,,,CID712620,C=CCc1cccc2cc(C(=O)OCC)c(=O)oc12
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+0.0,,,0.0,,0.0,,0.0,,,,0.0,,,,,,CID5308072,CC(=O)c1cccc(NC(=O)CC2Oc3ccc(C)cc3NC2=O)c1
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+,,,,,,,,,,,,,,0.0,,,CID2887002,Cc1ccc(C2CC(=O)C(=CNCCN3CCN(C(=S)Nc4ccccc4)CC3)C(=O)C2)cc1
+,0.0,,,,,,,,,,,,,,,,CID5771286,COc1cccc(C2CC(c3ccccc3Cl)N3NN=NC3=N2)c1
+,,,0.0,,,,,,,,,,,,,0.0,CID744090,CNc1ccc(OC(F)F)cc1C(=O)c1ccccc1
+,,,,,,0.0,,,0.0,,0.0,,,,,,CID659164,CCC(=O)Nc1c(C)c(CC)nc2ccccc12
+,,,,0.0,,0.0,0.0,0.0,,,,0.0,,,0.0,,CID3236724,Cc1ccc(S(=O)(=O)NCCCOC(=O)Nc2ccncc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3767519,Cc1cccc(C)c1Oc1nc(-c2ccccc2)ncc1S(=O)(=O)c1ccccc1
+,,,,,0.0,,,,,,,,,,,,CID879441,Cc1cccc(OCC(=O)n2cnnc2N)c1
+,,,,,,0.0,,,,,,,,,,,CID3236712,O=C(NCc1ccccc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1
+,,,,,,0.0,,,,,,,,,,,CID3242717,O=C(CC1CCS(=O)(=O)C1)NC1CCCCC1
+,,,,,,,,,,,,,,,0.0,,CID2364461,CCOc1ccc(C(=O)Cc2ccc3oc(C(=O)O)cc3c2)c(O)c1
+,,,,,,,0.0,,,,,0.0,,,,0.0,CID660622,CC1CC(C)CN(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1
+0.0,,0.0,,,,0.0,,,,,,,,,,,CID3151243,Cc1cc(C)cc(OCC(O)CN2C(=O)NC(C)(C)C2=O)c1
+,,,,,0.0,,,,,,,,,,,,CID959527,CCOC(=O)c1c(C)[nH]c(C(=O)NNC(=O)c2ccccc2)c1C
+,0.0,,,,,,,,,,0.0,,,,,,CID663035,Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)CN1CCOCC1
+,,,,,,,,,,,,,,0.0,,,CID2139645,Cc1ccc(OCC(=O)NNC(=O)c2cc(C)[nH]n2)cc1
+0.0,,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID650330,O=C(Nc1ccccc1)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCCCC1
+,,,0.0,,0.0,,,,,,,,,,,,CID3243753,COc1ccc(CNC(=O)CCc2c(C)nc3ncnn3c2C)cc1
+,,0.0,,,,,,,,,,,,,,0.0,CID664517,Cc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=CN2C3C(=O)c2ccco2)cc1
+,,,,,,,,,,0.0,,,,,,,CID2968118,CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)Cc1ccc(Cl)cc1
+,,,,,,,,0.0,,,,,,,,,CID921618,Cc1ccc(N(NC(=O)C(C)(C)O)C(=O)c2ccccc2)cc1C
+,,,0.0,0.0,,,,,,,,,,,,,CID2126768,Cn1nnnc1SCc1nnc(-c2ccc(Cl)cc2)o1
+,,,,0.0,,,,0.0,0.0,0.0,,,0.0,,,0.0,CID2224305,O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)cs1
+,,,0.0,,,,,,0.0,,,,,,,,CID2531232,Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)no1
+,,,,,,,,,,0.0,,,,,,,CID3221309,O=C(c1cc2ccccc2oc1=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2
+,,,,0.0,,,,,,,,,,,,,CID3243202,CCN(CC)S(=O)(=O)c1ccc2[nH]cc(C(=O)NCCN3CCCCC3C)c(=O)c2c1
+,0.0,,,0.0,,,,,,,,,,,0.0,0.0,CID3244329,O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccc3nsnc23)C1
+,,,,,,,,,,,,,0.0,,,,CID1211493,O=C(NNc1cccc(Cl)c1)c1cccnc1Cl
+,,,,,0.0,0.0,,,,,,0.0,,,0.0,0.0,CID654469,CCC(OC(=O)c1ccco1)C(=O)NCc1ccc(C)cc1
+,,,,,0.0,,,,,,,0.0,,,,0.0,CID5307705,CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1
+,,0.0,,0.0,,0.0,,,,,,,,0.0,,,CID767910,Nc1nc(CSc2nc3ccccc3[nH]2)cs1
+,,,,,,,,,,,,,0.0,,,,CID2403875,O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(CO)cc1
+,,,,,0.0,,,,0.0,0.0,,,,,,,CID2870941,Cc1ccc(NCN2C(=O)C3CC=C(Cl)CC3C2=O)cc1
+,,0.0,0.0,,,,0.0,,,,,0.0,,,,,CID2890602,COc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O
+0.0,,,,0.0,,,,,,,,,,,,,CID3239696,O=C(Nc1ccc2c(c1)OCO2)c1cccc2c1C(=O)N(Cc1cccnc1)C2
+,,,,,,,,0.0,,,,,,,,,CID2856766,Fc1ccc(C2NC(=S)NC3=C2N2CCC3CC2)cc1
+,,0.0,,,,,,,,0.0,,,,,,,CID1244758,COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N3CCCC3)o2)cc1
+,0.0,,,,,,,,,,,,,,,,CID712009,Cc1nnc(SCc2ccon2)n1-c1ccccc1
+,0.0,0.0,,,,,,0.0,,,,0.0,,,0.0,,CID651721,O=C(O)c1cccc(N2CCCC2)c1
+,,,0.0,0.0,,,0.0,,,,,,,,,,CID2869648,CC1=C(C(=O)OC(C)C)C(c2cccs2)C2=C(CCCC2=O)N1
+,0.0,,,,,,,,,0.0,,,,,0.0,,CID3124447,O=C(CC(C(=O)O)C1CCCO1)NCc1ccccc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1484728,Clc1ccc(Sc2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1
+,,,0.0,,0.0,0.0,,,,,0.0,,,,,,CID3241028,C=CC(=C)CC(NC)c1ccccc1
+,,,,,0.0,,,0.0,,,,0.0,,,0.0,,CID1089490,O=C(O)Cn1c2c(c3ccccc31)CCCC2
+,,,,,,0.0,0.0,,,,,,,,,,CID3152509,Cc1cc(C(=O)O)c(=O)[nH]c1C
+,,,,,,,,,,,,,,,0.0,0.0,CID721568,Brc1[nH]nc2ccccc12
+,,,,,,0.0,0.0,,,,,,0.0,,,,CID614455,CCOC(=O)c1c(C)c(C(=O)O)n(C)c1C
+0.0,,0.0,,0.0,,,,,0.0,,,0.0,,,0.0,0.0,CID3237407,CCOc1ccc(/C=c2\sc3nc(-c4ccco4)nn3c2=O)cc1OCC
+,,,,,,,,,0.0,,,,,,,,CID779738,O=c1sc2ccccc2n1COc1ccc(Cl)cc1
+0.0,,,,0.0,,,,,,0.0,,0.0,,,0.0,0.0,CID2227731,COc1ccc(C(=O)CSc2nnc(CNC(=O)c3ccc(OC)cc3)n2C)cc1
+,,,,,,,,,,,,,,0.0,,,CID97338,c1ccc(-c2nn3cnnc3c3ccccc23)cc1
+,,0.0,,,,,,,,,,,0.0,,,,CID975205,Cc1cc(C(F)F)n2ncc(C(=O)N3CCc4ccccc4C3)c2n1
+,0.0,,,,,,,,,,,,,,,,CID5309590,COc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc(F)c2)cc1
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+,,0.0,,0.0,,,,,,,,,,,,,CID660488,CN1CCc2c(sc3c2C(=O)NC(c2ccc4c(c2)OCO4)N3)C1
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+,0.0,0.0,,,,,,,,,,,,,,,CID2965227,Cn1c(=O)c2c(ncn2CCCNC2=CC(C)(C)CC(=O)C2)n(C)c1=O
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+,,,,,0.0,,,,,,,,0.0,,,,CID827636,Cc1c(NC(=O)/C=C/c2cccs2)c(=O)n(-c2ccccc2)n1C
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+,,,,,,,,,,,,,,0.0,,,CID3554733,CC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(N1)c1ccccc1C2=O
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+,,,,,,,,,0.0,,,,,,,,CID3637200,CC1(C(=O)NCc2ccccc2)Oc2ccccc2NC1=O
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+,0.0,,,,,,0.0,,,,,,,,,,CID828953,COCc1cc(C)nc(N2CCN(c3ccccc3)CC2)c1C#N
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+,,0.0,0.0,,,,,,,,,,,,,,CID3236713,CCN(CC)C(=O)c1cc2c(=O)n3cccc(C)c3nc2n1C
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+,0.0,,0.0,,,0.0,0.0,,,0.0,0.0,,0.0,,,0.0,CID650757,CSc1nc2ccccc2n1CC(=O)N1CCCCC1
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+,0.0,,0.0,0.0,,,,0.0,0.0,0.0,,,,,,0.0,CID1085106,O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc2c(c1)OCCO2
+,,,,,,,,0.0,0.0,,,,,,,,CID3235827,O=C(NCc1cccnc1)c1cc(-c2ccco2)on1
+,,,,,,,,,,,0.0,,,,,,CID4294195,CCC1Oc2ccccc2N(CC(=O)NCCCN2CCOCC2)C1=O
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+,0.0,,,,,,,,,,,0.0,,,0.0,,CID3243640,CC(C)(C)C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1
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+,,,,,,,,,,,,,,0.0,,,CID3187508,Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CC=C(c4ccc(F)cc4)CC3)cc12
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+,,,,,,,,,,,0.0,,,,,,CID1212787,CC(C)OC(=O)CC12CN(C)CC(CC(=O)OC(C)C)(CN(C)C1)C2=O
+,,,,,,,,,,,0.0,,,,,,CID969127,Cc1cccc(C)c1OCC(=O)NNC(=O)c1ccoc1C
+,,,,,,,,,,,,,0.0,0.0,,,CID1425000,Cc1ccc(C(=O)NN2C(=O)CSC2=S)cc1
+0.0,,,0.0,,0.0,,0.0,0.0,0.0,,0.0,,,,,,CID665787,COc1ccccc1-c1noc(-c2ccccc2C(=O)N2CCOCC2)n1
+,,,,,,,,,,,,,0.0,,,,CID1301536,COc1ccc(/C=C/C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1
+,,,,,,,,,,,,,0.0,,,,CID648166,CCS(=O)(=O)n1nc(C(=O)N2CCOCC2)nc1N
+,,,,,,,,,,,,,0.0,0.0,,,CID2281858,O=C(COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)N1CCOCC1
+,,,,,,,,,0.0,,,,,,,,CID752980,Cc1nc2c(c(-c3ccccc3)c1C#N)C(=O)c1ccccc1-2
+0.0,,,,,,,,0.0,,,,,,0.0,,,CID652092,COc1cccc(CN(C(=O)c2cc3ccccc3oc2=O)C2CC2)c1
+,0.0,,0.0,,0.0,0.0,,,,,0.0,,0.0,,0.0,,CID258011,Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)O)cc2)cc1
+0.0,0.0,,,,,,0.0,,,0.0,,0.0,,,,0.0,CID3237784,Cc1ccccc1Cn1nc(C)c(NC(=O)c2noc3c2CCCC3)c1C
+,,,,,,,,,,,,,0.0,,,,CID987672,Cc1cc(C(=O)O)ccc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C
+,,0.0,,,0.0,0.0,,0.0,,,0.0,,,,0.0,,CID1088978,Cc1c(C#N)c2ccccc2n1CC(=O)NCCc1c[nH]c2ccccc12
+,,,,,,,,,,,,,0.0,,0.0,,CID3237076,CN(CC(=O)N1CC(=O)N(CCc2ccccc2)C(=O)C1)S(=O)(=O)c1cccc2nsnc12
+,,,,,,0.0,,0.0,,,,,,,,,CID566150,CC(=O)Nc1cn(C(C)=O)c(C)n1
+,0.0,0.0,,,,,,,,,,,,,,,CID892164,COc1ccccc1CNc1ccc(N2CCCCC2)cc1
+,,,,,,,0.0,,,,,,,,0.0,,CID617173,CCOC(=O)COc1ccc2nsnc2c1
+,,,,,,,,,,0.0,,,,,,,CID1467641,COc1ccc(N(CC(=O)NC2CCCC2)C(=O)c2csnn2)cc1
+,,0.0,0.0,0.0,,,,0.0,,0.0,,,,,,,CID3240327,O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccs2)CC1
+,,,0.0,,,,,,0.0,,,,,,,,CID659994,O=C1OC2(CCCCC2)OC(=O)C1=CNc1ccc2c(c1)OCO2
+,0.0,,,0.0,,,,,,0.0,,,,,,,CID650584,Cc1cccc(N(CC(N)=O)C2SC(=O)N(c3ccccc3)C2=O)c1
+,,0.0,,,,0.0,0.0,,,,,,,,,,CID2999688,Cc1cc(C(=O)COC(=O)C2COc3ccccc3O2)c(C)n1CC1CCCO1
+,,,,,,,,0.0,,,0.0,,,,,,CID778688,CC(=O)CC(=O)Nc1ccn(-c2ccccc2)n1
+,0.0,,,,,,,,,,,0.0,,,0.0,,CID846839,CNC(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O
+0.0,,0.0,,,,,0.0,,,,,,,,0.0,,CID5309411,COC(=O)c1ccccc1NC(=O)C1CCCN(c2nnc(-n3cccc3)s2)C1
+,,,,,,,,,,,,,0.0,,,,CID1391381,Cc1ccc(-c2nc3ccccc3c(=O)n2NC(=O)c2cccs2)cc1
+,,,0.0,,,,,,0.0,,,,,,,,CID2971752,COc1ccc(S(=O)(=O)NC2CC3CCC2C3)cc1Cl
+,,,,,,,,,,,0.0,,,,,,CID2962595,COc1cc(C2NC(=S)NC(c3ccccc3)=C2C(C)=O)cc(Cl)c1OCC(=O)O
+,,0.0,,,,,,,,,,,,,,,CID661610,CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(c2ccccc2F)CC1
+,,,,,,,,0.0,,0.0,0.0,,,,,,CID1397611,COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccnc3)c3ccccc3)cc2c1
+,,,,,,,,,0.0,0.0,,,,,,,CID5921947,CCCCN1C(=O)NC(=O)/C(=C(/CC)Nc2ccc(OC)cc2OC)C1=O
+,,,,0.0,,,,,0.0,,,0.0,,,,0.0,CID2965126,Cc1ccnc(NC(=O)CCC2COc3ccccc3O2)c1
+,,,,,,,,,,,,,0.0,,,,CID5020888,CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(OC)cc2OC)c1
+,,0.0,,,,,0.0,,,,,0.0,,,,,CID2496691,CCOC(=O)c1[nH]c(C)c(C(=O)N2CCOCC2)c1C
+,,,,,,,,0.0,,,,,,,,,CID2224325,O=C(Nc1cc(C(F)(F)F)ccc1F)C1CCCCC1
+,,,,,,,,,,,,,,0.0,,,CID2233291,COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O
+,,,,,,,,,,,,,,0.0,,,CID685764,COc1ccc(C(=O)O/N=C2\CCCc3nonc32)cc1
+0.0,,,,,,,,,,,,,,,,,CID933372,CC(=O)c1c(C)nc(-c2ccc(Cl)cc2Cl)n1O
+,,,,,0.0,,,,,,,,,,,,CID3135709,CCCCOc1ccc(C(=O)NCC2(c3ccccc3)CCOCC2)cc1
+,,,,,,,,0.0,,,,,,,,,CID607087,CCC(C)NC(=O)c1c(F)c(F)c(F)c(F)c1F
+,,0.0,,,,0.0,,0.0,,0.0,,,,,,,CID662457,CCCCCCC(=O)N(O)C1CC(=O)N(Cc2ccccc2)C1=O
+,,,,,,,,,,,,,,0.0,,,CID1488909,Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2N2CCN(C)CC2)cc1
+,,,,,,,,,,,,,0.0,,,,CID3601285,CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cnc3ccccc3n2)cc1
+,0.0,,,,,0.0,,,,,,,,,0.0,,CID2192973,O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)C3CC3)c2)c1)C1CC1
+,,0.0,,,,,,,,,,0.0,,0.0,0.0,0.0,CID891156,COc1ccc(OC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
+,,,,,,,,,,,,,,0.0,,,CID3096861,COc1cc(C(=O)NCC(=O)N/N=C(\C)c2cccs2)cc(OC)c1OC
+,,,,,,,,,,,,,0.0,,,,CID1915721,COc1ccc(-c2c(C#N)c(N)nc3sc(C(=O)c4ccc(C)cc4)c(N)c23)cc1
+,,,,,0.0,,,,,,,,,,,,CID1474598,O=C(O)c1cnc(-c2ccccc2)nc1Sc1ccccc1
+,,,,,,,,,,0.0,,,,,,,CID9550298,O=C(Nc1cccc(O)c1)c1noc2c1CCc1ccccc1-2
+,,,,,,,,0.0,,,,,,,,,CID1093808,Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)no2)cc1
+0.0,,,,0.0,,,0.0,,,0.0,,,,,,,CID3242931,COc1cccc(-c2nn(C)c3sc(C(=O)Nc4ccc5c(c4)OCCO5)cc23)c1
+0.0,0.0,0.0,0.0,,,0.0,,,0.0,,,,,,0.0,,CID2225380,Cc1cc(Cl)ccc1OCCCC(=O)NC1CCN(C)CC1
+0.0,,,,,,,0.0,0.0,,0.0,,0.0,,,,,CID2968694,COc1ccc(CNC(=O)C2CC(=O)N(c3ccc(OCC(=O)N4CCCCC4)cc3)C2)cc1
+,,,,,0.0,,,,,,,0.0,,,,,CID5310604,CC1=CC(c2ccccc2)N2NC(NS(=O)(=O)c3ccc(C)cc3)=NC2=N1
+0.0,,0.0,,,0.0,,,0.0,,0.0,,0.0,,,,,CID660559,CCCn1c(O)c(C(=O)Nc2ncccc2C)c(=O)c2c1CCCC2
+,,,,,,,,,0.0,,,,,0.0,,,CID2079478,CCOC(=O)NC(=O)COC(=O)Cc1cc(OC)c(OC)c(OC)c1
+,,,,,,,,,,,,,,0.0,,,CID902588,N#Cc1cccc(Oc2ccc(-c3cnc4ccccc4n3)cc2)c1C#N
+,,0.0,,,,,,,,,,,,,0.0,0.0,CID1249286,CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1
+,,,,,,,,,,0.0,,,,,,,CID651384,CCOC(=O)c1cccc(N2C(=O)C3C(C(=O)NC4CC4)C4(C)C=CC3(O4)C2C(=O)NC(C)(C)C)c1
+,,,,,,,,,,,0.0,,,,,,CID9550767,Cc1cccc(-n2c(=O)c(C#N)cc3c(=O)n4ccccc4nc32)c1
+,,,,,,,,,0.0,0.0,,0.0,,,0.0,,CID790432,O=C(NC1CCCCCCC1)c1ccco1
+,,,,,,,,,,,,,,0.0,,,CID3230758,O=C(NNC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1)C1CC1
+0.0,,0.0,,0.0,,,,,,,,,,,0.0,,CID647920,Fc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1
+0.0,,,,,,0.0,,0.0,,,,,,,,,CID3237053,O=C(c1ccc2c(c1)c(=O)oc1ccccc12)N1CCCCC1
+0.0,0.0,,,0.0,,0.0,,,,0.0,,,,,,,CID4446089,Cc1nnc(NC(=O)CSC2CCCCC2)s1
+0.0,0.0,,,,,,,,,0.0,0.0,,,,,,CID646128,O=C(NCCc1ccccc1)C1CCCN(C(=O)NC2CCCCC2)C1
+,,,0.0,,,,,,,0.0,,,,,,,CID5389634,C=CCN1C(=O)NC(=O)/C(=C(/C)NCCN2CCOCC2)C1=O
+,,,,,,,,,,0.0,,,,,,,CID2115665,Cc1cc(NC(=O)COC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)c2ccc(F)cc2)no1
+,,,0.0,,,,,,,,,,,,0.0,,CID5309429,CCN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)NCc3cccnc3)cc21
+0.0,,0.0,,,,0.0,0.0,0.0,,0.0,,,,,,,CID653542,CC1CCN(C(=O)c2ccc(C(=O)N3CCC(C)CC3)cc2)CC1
+,,,,,,,,,,,,,,0.0,,,CID867853,Cc1cc(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1
+,,,,,,,,,,,,0.0,,,,,CID226793,CC1(C)NC(=O)N(CN2C(=O)NC(C)(C)C2=O)C1=O
+,,0.0,0.0,0.0,,0.0,,,,,,,,,,,CID665421,Clc1ccc(C2=Nn3c(nnc3-c3n[nH]c4c3CCC4)SC2)cc1
+,,,,,,,,,,0.0,,,,,,,CID1504034,S=c1[nH]nc(-c2cc(-c3ccco3)[nH]n2)n1-c1cccc2ccccc12
+0.0,,,,0.0,,,,,,,,,,,,0.0,CID2999483,O=C1CCCC2=C1C(c1c(Cl)nc3sccn13)C1=C(CCCC1=O)N2
+,,,,0.0,,,0.0,,,,,,,,0.0,,CID3243890,COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3c(C)noc3C)CC2)c1
+,,,,,,,,,,,,,0.0,0.0,,,CID835773,Cc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O
+0.0,,,,,,0.0,,0.0,,,,,,0.0,0.0,,CID2410622,Cc1ccnc2nc(C(=O)OCCOc3cccc(Br)c3)nn12
+,,,,,,,,,,,,,0.0,,,,CID886409,COc1ccc(-c2csc(C)n2)cc1Br
+,,,,,,,,,,,,,,,0.0,,CID2134777,CCc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccccc2C)c1N
+0.0,,,,,0.0,,0.0,0.0,,,0.0,0.0,,,,,CID3239388,Cc1ccccc1C(=O)c1cccn1CC(=O)N1CCCCCC1
+,,,,,,,,,0.0,,,,,,,,CID584377,Cc1nc(-c2ccccc2)cs1
+,,,,,0.0,,,,,,,,,,,,CID1900387,CCCCOC(=O)Cn1c(=O)n(CC(=O)OCCCC)c2cc(C)ccc21
+,,,0.0,,,,,,,,0.0,,,,,,CID49857,CC(=O)NCc1cccc(CNC(C)=O)n1
+,,,,,,,,0.0,,,,,0.0,0.0,,,CID306826,O=S(=O)(Nc1nccs1)c1ccc(Cl)cc1
+,,,,,,,,,,,0.0,,,0.0,,,CID1509139,Cc1ccn2cc(CSc3ccccc3N)nc2c1
+,,,,0.0,,,,,,,,,,,,,CID3238746,CCc1nnc(NC(=O)CCc2nc(C3=CCN(C)CC3)no2)s1
+0.0,0.0,,,0.0,,,,,,,,,,,,,CID3332422,COc1ccccc1N1CCN(C(=O)CCCC2=NS(=O)(=O)c3ccccc3N2)CC1
+,,,,,,,,,0.0,,,,,,,,CID4293121,CC(C)(C)C(=O)C(Cc1ccccc1)n1cncn1
+,,,,,,,,,,,,,0.0,,,,CID976530,CCCC(=O)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1
+,0.0,,,,,,,0.0,,,,,,,,,CID903290,Cn1c(NC(=O)C2CC2)cc(=O)n(C)c1=O
+,,0.0,,0.0,,,,,,,,,,,,,CID657997,CC(C)OC(=O)CC1=NC(=O)CS1
+,,,,,,,,,,,,,,,,0.0,CID973685,CCn1c(Sc2ccc(N)cc2Cl)nc2ccccc21
+,,,,,,,,,,0.0,0.0,,,,,,CID2342604,O=C(CSc1ccccc1)Nc1ccc(N2CCOCC2)cc1
+,,0.0,0.0,,,,,0.0,,0.0,,,,,,,CID2908173,CC1=CC2=C(OC1N(C)C)c1cccc3cccc(c13)C2=O
+,,,,,,,,,,,,,,,,0.0,CID2998885,CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)cn2)CC1
+,,,,,1.0,,,,,,,,,,,,CID2036162,CCCCn1nc(-c2ccccc2)c2nc3ccccc3nc21
+0.0,0.0,,0.0,,,,0.0,,,,,,,,,0.0,CID3240518,Cc1ccc(CNC(=O)c2ccc(Cn3nc(C)c(Cl)c3C)o2)cc1
+,0.0,,,0.0,,,,,,,,,,,,,CID663790,C=CCn1cnc2c(c1=O)c1nc3ccccc3nc1n2/N=C/c1ccccn1
+,,,,,0.0,,,,,,,,,,,,CID2875528,Cc1cccc(N2C(=O)C3CC=CCC3C2=O)n1
+,,,,,,,,,,,,,,0.0,,,CID995138,Cc1cc(C)c(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(C)c1
+,,0.0,,0.0,,,,0.0,,,,,,,,,CID2980876,CCCOc1ccc(N2C(=O)CC(NCCNc3ccc(S(=O)(=O)CC)cc3)C2=O)cc1
+,,,,,0.0,,0.0,,,,,,,,0.0,,CID2199456,C=CCOn1c(=O)c(C)[n+]([O-])c2ccccc21
+,,,,,,,,,,0.0,,,,,,0.0,CID870599,CC1(C)Cc2ccccc2-c2n[nH]c(=S)n21
+0.0,0.0,0.0,,,,,,,0.0,,,,,,,,CID2897921,CC(Oc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1
+,,,,,,,,,,,,,,0.0,,,CID774814,O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1ccc2c(c1)OCO2
+,,0.0,0.0,0.0,,,,,,,,0.0,,,,,CID647832,COc1cccc(-c2csc(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)c1
+0.0,,,,0.0,,,,,0.0,,0.0,,,,,,CID2953732,CCC(Oc1ccccc1)C(=O)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID2965350,COc1ccccc1C1(CC(=O)N2CCCCC2)CCOC(C(C)C)C1
+,,,,,,,,,,,,,,0.0,,,CID4876694,O=C(Nc1ccccc1F)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1
+,,,,,,,,,,,,,,0.0,,,CID764351,Cc1ccc(N2CCN(C(=S)Nc3ccccc3)CC2)cc1
+0.0,0.0,0.0,0.0,,,,0.0,,,0.0,,,,,,,CID972670,COc1ccc(-c2cc(=O)nc(NCc3ccccc3)[nH]2)cc1
+,,,,,,,,,,,,,,0.0,,,CID1506742,COc1ccc(-n2nc(C(=O)N3CCCCC3)c(C)c(C#N)c2=O)cc1
+0.0,0.0,0.0,,,,0.0,,,,,,0.0,,,0.0,,CID517858,Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1
+,,,,,0.0,,,,,,,,0.0,0.0,,,CID1489055,O=C(CSc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3s2)CC1
+,,,,0.0,,,,,,,,,,,,,CID665348,COC(=O)C1=C(N)OC(C)=C(C(C)=O)C12C(=O)N(C)c1ccccc12
+,,,0.0,,0.0,,,,,,,,,0.0,,0.0,CID683954,CSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O
+,,,,,,,,,,0.0,,,,,,,CID9551800,CCc1nc(NC(C(=O)O)C(C)CC)c2oc3ccccc3c2n1
+,,,0.0,0.0,,,0.0,0.0,,,,,,,,,CID647577,O=C(CN(CCc1ccccc1)C(=O)CNS(=O)(=O)c1ccc(F)cc1)NCC1CCCO1
+,,,,,0.0,,,,,,,,,,,,CID2890098,CC(CCc1ccccc1)Nc1cc(N2CCN(S(=O)(=O)c3ccccc3)CC2)ccc1[N+](=O)[O-]
+,,,,,,,0.0,0.0,,,,,0.0,,,,CID2997858,O=C(COC(=O)CCc1c[nH]c2ccccc12)NC1CCS(=O)(=O)C1
+,,,,,,,,,,,,,0.0,0.0,,,CID3425253,COc1ccc([N+](=O)[O-])cc1/C=N/NC(=O)CNC(=O)c1cccc(F)c1
+,,,,,0.0,,,,,,,,,,,,CID780036,CCOC(=O)c1c2n(c3ccc(OC(C)=O)cc13)CCC2
+,,,,,,,,,,,,,,0.0,,,CID16192509,COc1cccc(CN2CCN(Cc3ccc(C)o3)CC2CCO)c1
+,,,,,,,,0.0,,,,,,,0.0,,CID3236986,CN(CC(=O)Nc1ccc2c(c1)OCCO2)S(=O)(=O)c1ccc(Br)s1
+,,,,,0.0,,,,,,,,,,,,CID1280564,Cc1ccc(Oc2ccc3c(c2)C(=O)N(c2ccc(S(=O)(=O)Nc4nccs4)cc2)C3=O)cc1
+0.0,,,,,,,,,0.0,0.0,,,,,,,CID658195,CC1(C)Cc2c(sc3nc(SCC#N)n(C4CCCCC4)c(=O)c23)CO1
+,0.0,,,,,0.0,,,,,,,,,,,CID5308692,CCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12
+,0.0,,,,,,0.0,,,,0.0,0.0,,,,,CID650904,O=C(NCc1ccccc1)N1CCN(c2ccccc2F)CC1
+,,0.0,,,,,,,,0.0,,,,,,0.0,CID2418021,CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)CCOc1ccccc1OC
+0.0,,,,,,,,0.0,,,0.0,,,,0.0,0.0,CID649583,CCOc1cc(C(=O)Nc2cc(C)ccn2)cc(OCC)c1OCC
+,,,0.0,,0.0,,,,0.0,,,0.0,,,,,CID2123759,O=C(COc1ccccc1F)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1
+,,,,,,,,,,,,,0.0,,,,CID16187108,Cc1nnc2sc(SCC(=O)Nc3ccc(Br)cc3)nn2c1=O
+,,,,,0.0,,,,,,,0.0,,,,,CID5308649,Cc1ccc(-c2nc(CS(=O)CC(=O)NCCC(C)C)c(C)o2)cc1
+,,,,,0.0,,,,,,,,,,,,CID1042563,Cc1c(Nc2c3c(c(C#N)c4nc5ccccc5n24)CCC3)c(=O)n(-c2ccccc2)n1C
+0.0,0.0,,,,,,,,0.0,,,,,0.0,,0.0,CID734785,CCCc1cc(=O)nc(NCc2ccc(Cl)cc2)[nH]1
+,,,,,,,,,,,,,0.0,0.0,,,CID1812357,COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C/c2cccs2)C1=O
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+,0.0,,0.0,,,,,,,,,0.0,,,,,CID2096770,Cc1cc(C)n2nc(C(=O)Nc3ccccc3N3CCOCC3)nc2n1
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+,,,,,,,,,0.0,,,,,,,,CID2085084,O=C(COc1ncnc2scc(-c3ccc(F)cc3)c12)NCc1ccco1
+,,,,,0.0,,,0.0,,0.0,0.0,,,,,,CID979827,CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2cccnc2Cl)CC1
+,,,,,0.0,,,,,,,,,,,,CID9550156,CC1CCN(c2c(NCC3CCC(C(=O)N4CCc5ccccc5C4)CC3)c(=O)c2=O)CC1
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+,0.0,,,0.0,,0.0,0.0,,,,0.0,,,,,,CID541702,NC(=O)CC12CC3CC(C1)CC(CC(N)=O)(C3)C2
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+,0.0,,,,,0.0,,0.0,,,0.0,,0.0,,,0.0,CID1187483,CCOc1ccccc1Nc1nc(=O)c(C)n[nH]1
+,0.0,,0.0,,,0.0,,,,,,,,,,0.0,CID3000111,CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1
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