input
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3.57k
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CO5.c15ccc4cc1.C4(C)N=C(O)c1cn2c(n1)CCCC2 | [
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CCCC3.c13ccc4cc1.N54.C5(=O)C8.S89.c19nccn16.c16cccc7c1.O7C | [
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CO5.C5(=O)C6.c16cccc(N=C(O)N4c1.C14C2CCOC2C1(C)C | [
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Cc1sc(=O)n7c1C.C7C5=O.N56.c16ccnn14.C43.[C@H]13CCOC1 | [
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Cc1ccc2oc8cc2n1.C78=O.N75.c15nc6cs1.c16ccccc1 | [
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CC([O-])=Nc1c5cccc1C.c15nnc3nc1O.S43.C4C(O)=Nc1cccc(F)c1 | [
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CC3C.c13ccc5cc1.C5(N=C(O)N1CCCN4CC1)C(C)C.S4(C)(=O)=O | [
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NCCCC[C@H]6C(O)=NC[C@@H]%10O.N69.[C@H]98O.c18ccc(/C=C/[N+](=O)[O-])cc1.N%104.[C@H]4(C3[C@H]2O.c13ccccc1.N27.C7[C@@H]%11O.N%115.[C@H]5(CCCCN)C(O)O | [
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CCCN1C(=O)C(N=C(O)C8N=C(CC5c2ccccc21.c18ccc6cc1.N16CCN7CC1.c17ccncc1.c15ccccc1 | [
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CC5C.c15ncncc12.c12cc(F)ccc13.O34.c14cncnc1N=[N+]=[N-] | [
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Cc1ccc3c(N)c1.S3(=O)(=O)CC(O)=N2.C2C(C)C | [
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C[C@H]45.N43.C13CCC12CCCCC2.c15ccccc1 | [
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O=C54.c14ccc(N=c2nc6[nH]c7n2)cc1O.N16CCCCC1.N17CCCCC1.N15CCN=C(O)C1 | [
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CC3.n13nc(C)c6c1C.N56.C5(C)CC4=O.N14CCCCCC1 | [
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CC4=O.N14CCC(N=C(O)N3CC1.c13ccc(C(=NN)NN)cc1 | [
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CO8.c18cc6ccc19.C56.N54.C14CC%10CC(C)C1.c1%10ccccc1.O79.C7C(=N)O | [
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CC8.c18[nH]c(=NC2CCC3C=CC=CC327c5nc14.O67.C6CCF.C5C.c14ccc(Cl)cc1Cl | [
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C=CC(O)=Nc1cccc7c1.c17nc%10ncc19.N%106.c16ccc8c5c1.O8C.N15CCOCC1.O9C(F)(F)F | [
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C#CC5.N56.c16nccnc12.C42=O.N43.c13ccc(Cl)cc1 | [
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CO3.C3CCN=C(O)C4.N14CN6C2(CCN5CC2)C1=O.c16ccccc1.C5(=O)C(C)C | [
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CC7.N574.C56=O.c16ccc(S8(=O)=O)cc1.N83.[C@H]13CCS(=O)(=O)C1.c14ccc2ccccc2c1 | [
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CC7C6=O.O57.C53=O.c13ccc2c(c1)N=C(O)CCS2.N64C.C14(C#N)CCCCC1 | [
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CCN=C(N4N2.C4CCCC(C)C.C23.c13cccnc15.N15CCN(C)CC1.I | [
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Cl.Cl.Cn1nc6c2c1CCN5CC2.c16ccccc1.C54.[C@@H]14[C@H]2CNC[C@@H]12 | [
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CN1CC6N(C)c2nc3ccccc3n2C1=O.C6C5.N15CCN4CC1.c14ncccn1 | [
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CC3.C136O[C@@H]2CC[C@@H]4OC(O)[C@@H]2O1.C6C.C54.O5[Si](C)(C)C(C)(C)C | [
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CS(=O)(=O)C8.c18noc5n1.C65.N16CCC4CC1.c14ccnn17.C7CO | [
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Cc1cc(C)c(C#N)c3n1.N13CCC[C@H](O)C1 | [
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CC1CC5CN17.c15ccccc1.C73=O.C13CN8CCO1.C68=O.O64.C4(C)(C)C | [
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O=C53.N58.c18ccc4cc1.N14CCN=C1O.C13CCN7CC1.c17ncc6cc1Cl.C6(F)(F)F | [
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CC1CC3CCO1.N3=C4O.N14CCCN(C)CC1 | [
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CO4.C4C3.N35.C5C(O)=NC1CC2CCCC(C1)N2C | [
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CC1=C(C(O)=NCCC43C(C2CNNC25C2=C(CC(C)(C)CC2=O)N1.c14ccccc1.c13ccccc1.c15ccc(F)cc1 | [
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CCCC43.O4C.c13noc5n1.C15CSCC1O | [
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Cc1ccc(C(O)=NC3cn1.c13nc(C)cs1 | [
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CC5.n15cc6c(C)n1.C86.N18CCN7CC1.C79=O.c19cc4nn1C.C4C(C)C | [
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CC7C.n17cc(C(O)=Nc2cccc4c2)cn1.[C@H]54C.O56.c16cc(Cl)cnc1N | [
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CC19CSC2C(N=C(O)C6C(=O)N2C14.N95.c15ccccc1.c16ccccc1.C74=O.O78.C8C(Cl)(Cl)Cl | [
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CCN=C(N4N5.C4C2.N23.c13ccccc1[N+](=O)[O-].C5(C)CC | [
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CC6.O67.c17ccc(C2=NN(C3=NC(=O)C5S3)C4C2)cc1.C5C([O-])=NCCC(=O)O.c14ccc8cc1.O8C | [
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CC5.N567.C6C.C7CCC4C.[NH2+]43.S3(=O)(=O)c1ccc2c(c1)OCCO2 | [
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O=C1C2=CC6NC3CCCC23NN15.C67.c17ccc8cc1.n18cccn1.c15ccccc1F | [
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CC%12.O9%12.C9(=O)C7C%11.c1%11ccc%10cc1.O%13%10.C%138.c18sc6cc1C.c16ccc%14cc1.N1%14CCOCC1.O75.C5C | [
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Cc1cc(N)ccc12.c12ccc(N)c(C(=N)N)n1 | [
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CC(O)=Nc1cc5ccc1Cl.N65.C6(=O)C7=O.N78.C84.c14cn2c(C)cccc2n1 | [
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CO4.C4[C@@H]52.N53.[C@@H]13CCN6C1.C6C(F)(F)F.C12CC1 | [
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CC5C.c15cc4c(O)cc1O.c14nnc(S(C)(=O)=O)n17.c17ccc6cc1.C6[N+]1(O)CCOCC1 | [
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CN5C.C154CCCC1.C4N=C(O)CN1C(=O)CSc2ccccc21 | [
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CC1C=C=O.C1(Cl)C=O | [
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CCC2.[C@@]172OC(C)(C)O[C@]134.C57=O.O5C.C4CC.C63=O.O6C | [
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Nc1ccc6cc1.C56.n15c4nc2cc(Cl)cnc21.C4(F)(F)F | [
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CC(C)C7.c17nc3sc14.c13ncccn1.C54.N56.C16CC1 | [
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CO4.C14(C)CC(N=C(O)CC3(C)O)C1(C)C.c13ccccc1 | [
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CO3.c13c4cc(C)cc1C.[C@@]14(C)CO[C@H]2CN1.C2(C)C | [
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F[Si](F)(F)P21.[Si]2(F)(F)F.[Si]1(F)(F)F | [
285.8901702,
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OC(=Nc1ccc2oc(O)nc2c1)c1sc2cc3ccc2c1Cl.C3(F)(F)F | [
411.989625456,
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CC1CN(S(=O)(=O)N2CCN5CC2)CC(C)O1.C5(=O)CCC4=O.c14cccs1 | [
429.13921296399997,
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CC3(C)N=C(O)CCl.c13nc2cccc(F)c2[nH]1 | [
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CC3.N13CNC2CCCC=C2C1 | [
166.146998576,
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CC4C.N14CCCC3C1.C3N=C(O)[C@H]1CC1(C)C | [
252.220163516,
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Cc1nc[nH]c13.C43.N45.c15ccc6cc1.N16CCOCC1 | [
272.16371126,
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CC5.c15nc2ccc(Cl)cn2c13.C43=O.N14C[C@H](C)OC2(CCOCC2)C1 | [
377.15061930799993,
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O=C64.N68.C8(C7CO.c17ccccc1.c14nc5ncc1Cl.N95.S9(=O)(=O)c1ccc2ccccc2c1 | [
496.097203832,
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CCCC5=O.O57.C7C1=CCC=C(C6CC8[CH]1.N843.C4(C)C.C3(C)C.c16ccccc1 | [
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Cn1ccnc12.C2C3.N34.C4CC5.n15ccnn1 | [
234.15929457599998,
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CN1CCC%10CC1.C%11%10.O%11%12.c1%12n[nH]c2nccc%13c12.O%138.c18ccc%14cc1F.C%14C7=O.c17ccnn9c1=O.c19ccc(F)cc1 | [
586.2140098159999,
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CC7.O67.C6(=O)C8C.O85.c15ccc2c(=O)c4coc2c1.c14ccccc1O | [
354.11033829599995,
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C[C@@H]1OC(O)=N[C@@H]12.c12ccc(Br)c(F)c1 | [
272.98006884800003,
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OCCCN=C4O.C124CC3CC(CC(C3)C1)C2 | [
237.172878976,
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4,
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4
] |
CO4.c14ccc(N=C(O)C5C)c3c1.C15CC1.C3(=O)O | [
263.115758024,
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1,
1,
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1,
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1
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Cc1nc(C)c4s1.c14csc(N=C(O)C2CN(C)CCO2)n1 | [
338.087117816,
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22,
3,
0,
0,
1,
1,
0,
2,
2,
0,
1,
1
] |
O=C3CN=C(O)N2.C12CCCCC1.N13CCN=C(O)C14.c14ccccc1Cl | [
392.16151834,
0.5263157894736842,
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