SMILE
stringlengths 1
100
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stringlengths 3
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|---|---|
CC1(C(=O)NS(=O)(=O)c2ccc(Cl)s2)CCN1C(=O)C1CCCCC1 | [C][C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1] |
O=S(=O)(c1ccc(Cl)s1)N1CCNCC1 | [O][=S][=Branch1][C][=O][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][N][C][C][N][C][C][Ring1][=Branch1] |
CC1=C(C(=O)OCc2ccccc2)C(c2ccccc2-c2ccccc2)NC(=O)N1CCCCCC(=O)O | [C][C][=C][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Ring2][Ring1][=N][C][C][C][C][C][C][=Branch1][C][=O][O] |
O=C(c1ccc(C#Cc2ccccc2)nc1)N1CCOCC1 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=C][N][C][C][O][C][C][Ring1][=Branch1] |
Cc1nc2sc(C(=O)NCc3ccc(C(F)(F)F)cc3)c(N)c2c(C)c1Cl | [C][C][=N][C][S][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Branch1][C][N][C][=Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][Cl] |
CC(CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl | [C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CC(NCc1ccsc1)c1ccc2c(c1)NC(=O)CO2 | [C][C][Branch1][#Branch2][N][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][Ring1][Branch2] |
CCCn1c(C)nc2cc3c(cc21)C1CNCC3C1 | [C][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][C][N][C][C][Ring1][=Branch2][C][Ring1][=Branch1] |
Cc1ccc(CCP(=O)(O)CN2CCOCC2)cn1 | [C][C][=C][C][=C][Branch2][Ring1][Ring1][C][C][P][=Branch1][C][=O][Branch1][C][O][C][N][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][C] |
CCCCCCCCCCCCC(O)C1CCC(C(O)CCCCCCCCCCNC(=O)c2ccoc2)O1 | [C][C][C][C][C][C][C][C][C][C][C][C][C][Branch1][C][O][C][C][C][C][Branch2][Ring1][O][C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][O][Ring2][Ring1][=Branch2] |
COc1ccc(-c2noc(CCC(=O)N3CCN(c4ccc(F)cc4)CC3)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][O][C][Branch2][Ring1][N][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][=N][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
Cc1cccc(-n2ncc(C)c2-c2cc3ccncc3s2)n1 | [C][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][N][=C][C][Branch1][C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][=N][Ring2][Ring1][Branch1] |
CCOc1ccccc1NCC(=O)NN=Cc1ccncc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=Branch1][C][=O][N][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
CC(C(=O)NC1(c2ccccc2)CCC(N2CCC(C3CCOC3=O)CC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 | [C][C][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][C][C][O][C][Ring1][Branch1][=O][C][C][Ring1][N][C][C][Ring2][Ring1][Branch2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][=C] |
Clc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)c3c(Cl)ncnc32)cc1 | [Cl][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][Cl][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
CC(CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1 | [C][C][Branch2][Ring1][Ring2][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2] |
O=C1C(=CC=Cc2ccc(Cl)cc2)COc2ccc(Cl)cc21 | [O][=C][C][=Branch1][#C][=C][C][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Ring2][Ring1][Branch1] |
Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)Cc2cccs2)c1 | [C][N][C][=N][C][Branch2][Ring2][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][O][C][C][N][Branch1][#Branch2][C][C][=C][N][=C][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][C][=C][C][=C][S][Ring1][Branch1][=C][Ring2][Ring1][P] |
CN(CCCO)c1nc(-c2cccc(NC(=O)Nc3cccc(Cl)c3)c2)nc2c1ncn2C | [C][N][Branch1][Branch1][C][C][C][O][C][=N][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring1][P][=N][C][=C][Ring2][Ring1][#Branch1][N][=C][N][Ring1][Branch1][C] |
CCC(C(N)=O)N1CC(CS(=O)(=O)c2ccccc2)CC1=O | [C][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][=O] |
COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][=C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O][O][C] |
CCCCCCC1OC(OC2CCCCC2)C=C(CN2CCCCC2)C1=O | [C][C][C][C][C][C][C][O][C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring2][Ring1][Ring2][=O] |
[N-]=[N+]=NCc1cccc(Nc2cc(=O)[nH]c(=O)[nH]2)c1 | [N-1][=N+1][=N][C][C][=C][C][=C][C][Branch1][S][N][C][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][NH1][Ring1][Branch2][=C][Ring1][#C] |
CCNC(=Nc1ccc(-c2ccccc2)cc1)SC(C)C | [C][C][N][C][=Branch2][Ring1][Ring2][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][S][C][Branch1][C][C][C] |
O=C(NCc1cccc(NC(=O)c2cnc3ccccn23)c1)Nc1ccccc1 | [O][=C][Branch2][Ring1][P][N][C][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1][=C][Ring2][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4)n3C)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][P][N][C][=N][C][Branch2][Ring1][Branch1][C][S][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][C][=C][S][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCC(O)CC3)c2=O)cn1 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][C][C][N][=C][Branch1][C][N][N][=C][Ring1][Branch2][N][Branch1][N][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][=O][C][=N][Ring2][Ring1][#Branch2] |
O=C(O)Cc1ccc(OCCCOc2ccc(CC(=O)O)cc2)cc1 | [O][=C][Branch1][C][O][C][C][=C][C][=C][Branch2][Ring1][=Branch1][O][C][C][C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1] |
CCN(C)C(O)=NC(C)c1ccc(OC2CCN(c3ccc(OC(C)C)cc3)C2)cc1 | [C][C][N][Branch1][C][C][C][Branch1][C][O][=N][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][O][O][C][C][C][N][Branch1][P][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][C][C][C][=C][Ring1][#Branch2][C][Ring1][#C][C][=C][Ring2][Ring1][=Branch1] |
COc1cccc(Nc2nc(N3CC(C)OC(C)C3)nc3c2cnn3C)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=N][C][Branch1][#C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][=N][C][=C][Ring1][=C][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] |
O=C(c1cccc2ccccc12)c1cn(CCN2CCOCC2)c2ccc(F)cc12 | [O][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring2][Ring1][C][Ring1][#Branch1] |
CC(C)CCC(C)C1CCC2C3CCC4CC(NC(=O)C[N+]5(C)CCCCC5)CCC4(C)C3CCC12C | [C][C][Branch1][C][C][C][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][N+1][Branch1][C][C][C][C][C][C][C][Ring1][#Branch1][C][C][C][Ring1][P][Branch1][C][C][C][Ring2][Ring1][=Branch1][C][C][C][Ring2][Ring1][=N][Ring2][Ring1][#Branch2][C] |
CC1Cc2nc(SCC(=O)NCC3CCCO3)n(-c3ccc(F)cc3)c(=O)c2S1 | [C][C][C][C][N][=C][Branch1][S][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][O][Ring1][Branch1][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch2][S][Ring2][Ring1][N] |
CC(C)CCc1nc(NCC(C)C)nc(N(CC(=O)O)CC(C)C)n1 | [C][C][Branch1][C][C][C][C][C][=N][C][Branch1][Branch2][N][C][C][Branch1][C][C][C][=N][C][Branch1][S][N][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Ring2] |
CC(C)CCNC(=O)C(NC(=O)C(CC(=O)C(N)CC(C)C)Cc1ccccc1)C(C)C | [C][C][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][S][C][C][=Branch1][C][=O][C][Branch1][C][N][C][C][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CC(C)(CN)CNc1nc2cc[nH]c(=O)c2c2cc(F)ccc12 | [C][C][Branch1][C][C][Branch1][Ring1][C][N][C][N][C][=N][C][C][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][S][Ring1][#Branch1] |
Cc1nc2c(-c3ccc(Cl)cc3)nc3ccccc3c2c(=O)n1-c1cccc(Cl)c1 | [C][C][=N][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][P][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CN(C)Cc1nc2c(sc3ccc(C(F)(F)F)cc32)c(=O)[nH]1 | [C][N][Branch1][C][C][C][C][=N][C][=C][Branch2][Ring1][=Branch1][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][C] |
O=C(O)CCC(=O)N1N=C(c2c(-c3cccc(C(F)(F)F)c3)c3ccccc3[nH]c2=O)CC1c1ccc(Cl)cc1 | [O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][N][N][=C][Branch2][Ring2][=Branch1][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring2][Ring1][Ring2][=O][C][C][Ring2][Ring1][#Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CS(=O)(=O)c1ccc(OC2c3cc(Cl)cc(Cl)c3CC2N2CCC3(CCNC3)C2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][O][N][C][C][C][Branch1][#Branch1][C][C][N][C][Ring1][Branch1][C][Ring1][=Branch2][C][=C][Ring2][Ring1][O] |
Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2cccs2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][N][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
Cc1cccc2ncc(Cn3c(=O)n(CCC(=O)O)c4ccccc43)n12 | [C][C][=C][C][=C][C][=N][C][=C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][N][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
Nc1nccn2c(-c3cccc(NC(=O)c4cccc(OC(F)(F)F)c4)c3)cnc12 | [N][C][=N][C][=C][N][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][=C][Ring2][Ring1][Ring2][=C][N][=C][Ring2][Ring1][=N][Ring2][Ring1][=Branch2] |
CN(C)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCc1ccccc1 | [C][N][Branch1][C][C][C][C][N][C][=N][C][=C][Branch1][=C][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][N][Ring1][Branch2][C][N][Ring1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1cccc(C=CC(=O)OCC(=O)c2ccc[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][NH1][Ring1][Branch1][=C][Ring2][Ring1][Ring1] |
COc1ccc(C2=Nc3nc4ccccn4c3C(=O)C(COCc3ccccc3)N2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][C][N][=C][C][=C][C][=C][N][Ring1][=Branch1][C][=Ring1][=Branch2][C][=Branch1][C][=O][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C][O][C] |
O=C(c1ccccn1)N1CCN(Cc2ccccc2)CC1 | [O][=C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
COc1cccc(C=CC(=O)Nc2ccc(-c3nc4cc(CC(=O)O)ccc4o3)c(Cl)c2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][N][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][C][=N][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][C][=C][Ring1][#Branch2][O][Ring1][=N][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][#C] |
CCOC(=O)C(=O)Nc1cc(C(F)(F)F)cc(NC(=O)C(=O)OCC)c1Cl | [C][C][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C][Cl] |
CC(O)c1cc(-c2cnn(CCO)c2)cc2c1-c1ccccc1C2(O)C(F)(F)F | [C][C][Branch1][C][O][C][=C][C][Branch1][=N][C][C][=N][N][Branch1][Ring2][C][C][O][C][=Ring1][Branch2][=C][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F] |
COC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C(F)(F)F)cc4)c23)C1 | [C][O][C][C][N][Branch2][Branch1][C][C][=N][C][=N][N][C][Branch1][C][C][=N][C][Branch2][Ring1][=N][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][#Branch2][Ring2][Ring1][=Branch1][C][Ring2][Ring1][=C] |
COc1ccc(-c2nnn3c2nc(N2CCCC(C)C2)c2ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][=N][N][C][=Ring1][Branch1][N][=C][Branch1][N][N][C][C][C][C][Branch1][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P][C][=C][Ring2][Ring1][#Branch2] |
Cc1nc(NC(=O)CSc2nccn2C)sc1C(=O)N(C)C | [C][C][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][=C][N][Ring1][Branch1][C][S][C][=Ring1][S][C][=Branch1][C][=O][N][Branch1][C][C][C] |
CCOC(=O)c1cccc(NC(=O)c2sc3nc[nH]c(=O)c3c2C)c1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][C][N][=C][NH1][C][=Branch1][C][=O][C][=Ring1][#Branch1][C][=Ring1][#Branch2][C][=C][Ring2][Ring1][Ring2] |
CC1(C)CC(C)(C)c2cccc(N=C(S)Nc3ccc([N+](=O)[O-])cc3)c2O1 | [C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][=C][Branch1][C][S][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][=C][Ring2][Ring1][Ring1][O][Ring2][Ring1][#Branch2] |
CCCn1c(=O)c2c(nc3[nH]c(C)cn32)n(Cc2ccccc2)c1=O | [C][C][C][N][C][=Branch1][C][=O][C][=C][Branch1][=C][N][=C][NH1][C][Branch1][C][C][=C][N][Ring1][=Branch1][Ring1][=Branch2][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch1][=O] |
CCOc1ccc(NC(=O)Cn2c(=O)n(-c3ccccc3)c(=O)c3c4c(sc32)CCCC4)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][#Branch1][S][C][=Ring1][Branch1][Ring1][P][C][C][C][C][Ring1][Branch2][C][=C][Ring2][Ring1][#C] |
C=C1C(=O)OC2CC(C)C3C=CC(=O)C3(C)C(OC(=O)C(=CC)CO)C12 | [C][=C][C][=Branch1][C][=O][O][C][C][C][Branch1][C][C][C][C][=C][C][=Branch1][C][=O][C][Ring1][=Branch1][Branch1][C][C][C][Branch1][=N][O][C][=Branch1][C][=O][C][=Branch1][Ring1][=C][C][C][O][C][Ring2][Ring1][=Branch2][Ring2][Ring1][Branch1] |
CC1=CC(=O)OC2CC(CCC(C)C=CC3OC(C)(C)OC3CC1)OC(O)(C1CSC(=O)N1)C2 | [C][C][=C][C][=Branch1][C][=O][O][C][C][C][Branch2][Ring1][O][C][C][C][Branch1][C][C][C][=C][C][O][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][#Branch1][C][C][Ring2][Ring1][#Branch1][O][C][Branch1][C][O][Branch1][O][C][C][S][C][=Branch1][C][=O][N][Ring1][=Branch1][C][Ring2][Ring1][N] |
COc1ccc2nc(NCc3ccc(OC)c(OC)c3OC)sc2c1 | [C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][N][C][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][S][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
COc1ccc(P(=O)(OCCCC(F)(F)F)N2Cc3ccccc3CC2C(=O)NO)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][P][=Branch1][C][=O][Branch1][=N][O][C][C][C][C][Branch1][C][F][Branch1][C][F][F][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][=Branch1][C][=O][N][O][C][=C][Ring2][Ring1][=C] |
CC(C)CCn1cc(Br)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)c1=O | [C][C][Branch1][C][C][C][C][N][C][=C][Branch1][C][Br][C][Branch1][C][O][=C][Branch2][Ring1][S][C][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][=C][Ring1][O][N][Ring1][P][C][Ring2][Ring1][=Branch2][=O] |
CC1CN(C(C)CO)S(=O)(=O)c2ccc(C=Cc3ccccc3)cc2OC1CN(C)Cc1ccc(C(=O)O)cc1 | [C][C][C][N][Branch1][#Branch1][C][Branch1][C][C][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][O][C][Ring2][Ring1][#Branch2][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2] |
N#CCC1(n2cc(C(=N)O)c(=Nc3ccnc(F)c3)[nH]2)CCN(Cc2cn3ccccc3n2)CC1 | [N][#C][C][C][Branch2][Ring1][=N][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=N][O][C][=Branch1][=N][=N][C][=C][C][=N][C][Branch1][C][F][=C][Ring1][#Branch1][NH1][Ring1][S][C][C][N][Branch1][#C][C][C][=C][N][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][=Branch2][C][C][Ring2][Ring1][S] |
Cc1cc(-c2ncsc2Cl)c2cccc(OCc3c(Cl)cncc3Cl)c2n1 | [C][C][=C][C][Branch1][=Branch2][C][N][=C][S][C][=Ring1][Branch1][Cl][=C][C][=C][C][=C][Branch1][#C][O][C][C][=C][Branch1][C][Cl][C][=N][C][=C][Ring1][#Branch1][Cl][C][Ring1][S][=N][Ring2][Ring1][#Branch2] |
COc1cc(O)c2c(c1)C=CCCCC(=O)CC(Cl)CC(C)OC2=O | [C][O][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=C][C][C][C][C][=Branch1][C][=O][C][C][Branch1][C][Cl][C][C][Branch1][C][C][O][C][Ring2][Ring1][C][=O] |
COc1cc2ncc(OC3CCCCC3)nc2cc1OC | [C][O][C][=C][C][=N][C][=C][Branch1][#Branch2][O][C][C][C][C][C][C][Ring1][=Branch1][N][=C][Ring1][=N][C][=C][Ring1][P][O][C] |
Cc1nnc(SCC(=O)Nc2cccnc2Cl)s1 | [C][C][=N][N][=C][Branch1][P][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Ring1][=Branch1][Cl][S][Ring1][P] |
O=C1CCC2(CCN(Cc3cc(F)cc(F)c3)CC2)CN1CCO | [O][=C][C][C][C][Branch2][Ring1][=Branch2][C][C][N][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][C][C][Ring1][#C][C][N][Ring2][Ring1][Ring2][C][C][O] |
O=C(O)C1CCCN(CCON=C(Cc2ccccc2F)c2ccccc2F)C1 | [O][=C][Branch1][C][O][C][C][C][C][N][Branch2][Ring1][O][C][C][O][N][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring2][Ring1][#Branch2] |
CCOC(=O)C=C(C)C=CC=C(C)C=CC1CC2CCC1C2 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][C][=C][Branch1][C][C][C][=C][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][Branch1] |
CC1(C)CC2=Nc3ccccc3NC(c3cccs3)C2=C(O)C1 | [C][C][Branch1][C][C][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Ring1][S][=C][Branch1][C][O][C][Ring2][Ring1][=Branch1] |
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
COc1ccccc1-c1ccc(NC(=O)NCCCCN2CCCCC2)cn1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][Ring2] |
Cc1csc(NN=Cc2ccc(O)c([N+](=O)[O-])c2)n1 | [C][C][=C][S][C][Branch2][Ring1][=Branch1][N][N][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][=N][Ring2][Ring1][C] |
CC(C)(C)c1ccc(NC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Ring1][N][Ring1][Branch2][C][=C][Ring2][Ring1][Branch1] |
CN(C(=O)Oc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1)c1ccccc1 | [C][N][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][C][N][=N][Ring1][=N][=C][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=[N+]([O-])c1cccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)c1 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N+1][Ring1][O][C][C][C][S][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
COc1nc(NC(=O)C(C)(C)NC(=O)c2ccc3c(c2)c(C)c(-c2ccc(F)cn2)n3C2CCCCC2)cnc1C=CC(=O)O | [C][O][C][=N][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1][N][Ring1][=C][C][C][C][C][C][C][Ring1][=Branch1][=C][N][=C][Ring2][Ring2][=Branch1][C][=C][C][=Branch1][C][=O][O] |
O=c1[nH]nc(-c2ccccc2)n1N=Cc1ccncc1 | [O][=C][NH1][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][O][N][=C][C][=C][C][=N][C][=C][Ring1][=Branch1] |
COc1ccc(C(=N)NOC(=O)Cc2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branch1][C][=N][N][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1] |
O=C1Nc2ccc(OC(F)(F)F)cc2C1(O)c1c[nH]c2ccccc12 | [O][=C][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring1][=C][Branch1][C][O][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CC(=O)OCC12C(OC(C)=O)CC(C)C3(C)CC(C4=CC(=O)OC4)OC(CCC1(O)CO)C32 | [C][C][=Branch1][C][=O][O][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C][Branch1][C][C][C][Branch1][C][C][C][C][Branch1][O][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][O][C][Branch1][N][C][C][C][Ring2][Ring1][Branch2][Branch1][C][O][C][O][C][Ring2][Ring1][Ring1][Ring2][Ring1][N] |
CCCCC(OC(C)=O)c1ccccc1C(=O)Oc1cc(C)nn1-c1ccc(F)cc1 | [C][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CCn1nc(-c2ccccc2)c2c(C)n(-c3cccc([N+](=O)[O-])c3)nc2c1=O | [C][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Branch1][C][C][N][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][=C][Ring1][#C][C][Ring2][Ring1][=Branch2][=O] |
CCC1(CC)C(=N)N(C)C(=O)NC1=O | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][N][C][Ring1][O][=O] |
Cc1cccc(C)c1NC(=O)NN=Cc1ccc([N+](=O)[O-])cc1 | [C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][N][N][=C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CC(=O)OC1C(OC(=O)c2cccnc2)C(C)(O)C(C)(C=CC2=CC(=O)OC2)C2CCC=C(C)C12C | [C][C][=Branch1][C][=O][O][C][C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][O][C][Branch1][C][C][Branch1][=N][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][C][C][C][=C][Branch1][C][C][C][Ring2][Ring1][#C][Ring1][#Branch1][C] |
ON=Cc1ccc(-c2ccccc2)c(-c2ccccc2)c1 | [O][N][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][C] |
O=C(COc1ccc(F)c(Cl)c1)NC1CCCN(Cc2ccccc2)C1 | [O][=C][Branch1][P][C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
CCc1cc2c(cc1-c1csc(NC(=N)N)n1)C(C)(C)CCC2(C)C | [C][C][C][=C][C][=C][Branch2][Ring1][Ring2][C][=C][Ring1][=Branch1][C][=C][S][C][Branch1][#Branch1][N][C][=Branch1][C][=N][N][=N][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring1][Branch1][C][C][C] |
C#CCN(Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)c1ccc2nc(C)nc(O)c2c1 | [C][#C][C][N][Branch2][Ring2][C][C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][C][=C][C][=C][N][=C][Branch1][C][C][N][=C][Branch1][C][O][C][Ring1][Branch2][=C][Ring1][N] |
C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8C(CC9OC(CCC1O2)CC(C)C9=C)OC(CC(O)CO)C8OC)OC7C6O3)C5O4 | [C][=C][C][C][C][C][C][C][C][O][C][C][Branch2][=Branch1][O][O][C][C][C][C][Branch2][Branch1][=Branch1][C][C][=Branch1][C][=O][C][C][C][Branch2][Ring1][#Branch2][C][C][O][C][Branch1][O][C][C][C][Ring2][Ring1][=N][O][Ring2][Ring1][N][C][C][Branch1][C][C][C][Ring1][O][=C][O][C][Branch1][Branch2][C][C][Branch1][C][O][C][O][C][Ring2][Ring1][#Branch1][O][C][O][C][Ring2][Ring2][Ring1][C][Ring2][Ring2][#Branch1][O][Ring2][Ring2][N][C][Ring2][Ring2][O][O][Ring2][Ring2][=C] |
Cc1cccc(CCN(C(=O)c2csnn2)C(C(=O)NC2CCCC2)c2ccco2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][S][N][=N][Ring1][Branch1][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][=C][C][=C][O][Ring1][Branch1][=C][Ring2][Ring1][=C] |
O=C(O)COc1cccc2c1CC1CC(O)C(CCC(O)C3CCCCC3)C1C2 | [O][=C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][Branch1][C][O][C][Branch1][#C][C][C][C][Branch1][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][S][C][Ring2][Ring1][Ring2] |
Cc1nnc(SC(=Cc2ccc(-c3cc(Cl)ccc3C)o2)C(=O)O)[nH]1 | [C][C][=N][N][=C][Branch2][Ring1][P][S][C][=Branch2][Ring1][#Branch1][=C][C][=C][C][=C][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][O][Ring1][=N][C][=Branch1][C][=O][O][NH1][Ring2][Ring1][Branch2] |
Cc1ccc(SC(=Cc2ccc(N(C)C)cc2)C(=O)c2ccc(Cl)cc2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][Ring2][S][C][=Branch1][P][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][O] |
Cn1cc(C2COC3(CCN(C(=O)c4cccn4C)CC3)C2)cn1 | [C][N][C][=C][Branch2][Ring1][P][C][C][O][C][Branch2][Ring1][=Branch1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][C][C][Ring1][=C][C][Ring2][Ring1][C][C][=N][Ring2][Ring1][#Branch1] |
CN(c1ccccc1Cl)c1nc2c(-c3nnc[nH]3)cccc2c2cnccc12 | [C][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=N][C][=C][Branch1][Branch2][C][=N][N][=C][NH1][Ring1][Branch1][C][=C][C][=C][Ring1][O][C][=C][N][=C][C][=C][Ring2][Ring1][Ring1][Ring1][=Branch1] |
CCC(C)C(NC(=O)CNC(=O)CNC(=O)Nc1ccccc1F)C(=O)N1CCCC1C(=O)N1CCN(c2cccc(Cl)c2Cl)CC1 | [C][C][C][Branch1][C][C][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl][C][C][Ring1][=C] |
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