molecule_smiles
stringlengths 1
2.5k
| SELFIES
stringlengths 3
9.88k
|
|---|---|
CC(C)(C)C1CCC2(CC1)NC(=O)N(CN1CCN(Cc3cccs3)CC1)C2=O | [C][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][Ring1][N][C][Ring2][Ring1][Branch1][=O] |
Cc1cc(C)cc(NC(=O)COc2ccc(F)cc2Cl)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][Ring2] |
O=C(COc1ccc(F)cc1Cl)Nc1ccc(Br)cc1F | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F] |
CC(C)(C)c1ccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][N+1][=Branch1][C][=O][O-1] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1ccc(F)cc1Cl | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1cc(Cl)sc1Cl | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][C][=C][Branch1][C][Cl][S][C][=Ring1][=Branch1][Cl] |
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccnc1SCc1c(C)noc1C | [C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] |
Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(=O)N(C)C)c3)nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][N][C][Branch2][Ring1][O][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2][C][=C][Ring2][Ring1][#C] |
Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@H](C)C5)CC[C@@H](C)C3)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][=Branch2][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C@H1][Branch1][C][C][C][Ring1][Branch2][C][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
O=C(COc1ccc(F)cc1Cl)Nc1ccc(Br)cc1Br | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Br] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1c(C)noc1C | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] |
COc1cccc(CCC(=O)N[C@@H]2CCCC[C@@H]2C)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] |
COc1cccc(CCC(=O)N[C@@H]2CCCC[C@H]2C)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] |
Cc1cccc(-c2c3c(nc4sc5c(c24)CC[C@@H](C)C5)CC[C@H](C)C3)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch1][C][=C][C][=Branch2][Ring1][=Branch1][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][C][C@H1][Branch1][C][C][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch2] |
COc1ccc(-c2csc(NC(=O)c3cccnc3SCc3c(C)noc3C)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=C][S][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
Cc1noc(C)c1CC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 | [C][C][=N][O][C][Branch1][C][C][=C][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][C][=C][Ring1][#C][N][C][C][C][C][C][Ring1][=Branch1] |
COc1ccc(-c2csc(NC(=O)Cn3cnc4scc(-c5cccs5)c4c3=O)n2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][S][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring1][=C][=O][=N][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][=C] |
Cc1ccc(N(Cc2ccco2)C(=O)CCNC(=O)c2ccsc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)/C=C/c1ccsc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][/C][=C][/C][C][=C][S][C][=Ring1][Branch1] |
O=C(CCNC(=O)c1ccsc1)Nc1cccc(Cl)c1F | [O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F] |
CC[C@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1 | [C][C][C@H1][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1] |
COc1cc(Cl)c(C)cc1NC(=O)c1cccnc1SCc1c(C)noc1C | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][S][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] |
O=C(CCCNC(=O)c1ccsc1)Nc1cccc(Cl)c1F | [O][=C][Branch1][S][C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F] |
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cnn(C)c3)cc2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][/C][=C][/C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring1][P][C][C][Ring2][Ring1][#Branch2] |
O=C(Cc1csc(-c2cccc(Br)c2)n1)Nc1ccccc1Br | [O][=C][Branch2][Ring1][=Branch1][C][C][=C][S][C][Branch1][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][=N][Ring1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Br] |
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cnc(SC)n3-c3ccccc3)cc2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][Ring1][S][C][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][#C] |
CCc1nc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cs1 | [C][C][C][=N][C][Branch2][Ring1][S][C][S][C][=N][N][=C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][N][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][#Branch2] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(OC)cc1OC | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C] |
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3CCOCC3)cc2)CC1 | [C][C][N][C][C][N][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][C][Ring2][Ring1][Branch2] |
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)cc2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][=C][Ring1][Branch2][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][=C] |
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)OCC(=O)NC(=O)c2cccn2C)c1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1] |
COC(=O)c1cc(Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][N][C][N][C][Branch1][C][Cl][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][O][C][=Ring2][Ring1][Ring2][C] |
Cn1cccc1C(=O)NC(=O)COC(=O)c1ccc2c(c1N)C(=O)c1ccccc1C2=O | [C][N][C][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=O] |
CC[C@@H](C)N(Cc1ccccc1)C(=O)CCNC(=O)c1ccsc1 | [C][C][C@@H1][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1] |
COc1cccc(CCC(=O)N[C@H]2CCCC[C@H]2C)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] |
CCOc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)N2CCN(CC)CC2)cc1 | [C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P] |
COc1cc(Cl)c(C)cc1NC(=O)Cn1cnc2scc(-c3cccs3)c2c1=O | [C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][C][C][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][C][=N][C][S][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][=Ring1][#Branch2][C][Ring1][=C][=O] |
CCN1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc4c(F)cccc4s3)cc2)CC1 | [C][C][N][C][C][N][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][N] |
COc1ccc(-c2nnc(SCC(=O)NCc3ccc(F)c(C)c3)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch2][C][=N][N][=C][Branch2][Ring1][#Branch1][S][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2][N][Ring2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#C] |
O=C(COC(=O)c1ccc(F)c(F)c1)Nc1ccc(OC(F)F)c(Cl)c1 | [O][=C][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][O] |
COc1cccc(CCC(=O)N[C@H]2CCCC[C@@H]2C)c1OC | [C][O][C][=C][C][=C][C][Branch1][P][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][Ring2][Ring1][C][O][C] |
CCN(CC)c1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][N][=C][Branch2][Ring1][O][S][C][C][=N][N][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][O][Ring1][=C][N][Ring2][Ring1][Branch1][C][C][=C][Ring2][Ring1][N] |
COc1ccc(-c2nnc(SCC(=O)NCC3(c4ccccc4)CC3)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=N][N][=C][Branch2][Ring1][Branch2][S][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S] |
Cc1ccc(NC(=O)Cc2nc(Cn3c(Cl)nc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=N][N][C][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][N][C][N][C][Branch1][C][Cl][=N][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
COc1ccc(-c2nnc(SCC(=O)NCC3CC3)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][=N][N][=C][Branch1][=C][S][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][N][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
COc1ccc(-c2nnc(SCC(=O)NC(C3CC3)C3CC3)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][Ring1][Ring1][N][Ring1][P][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=N] |
CCOc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)N3CCN(CC)CC3)cc2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][S][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][=C][Ring1][P][C][=C][Ring2][Ring1][N] |
CC(C)Cn1c(N)c(C(=O)CSc2ccc(C(F)(F)F)cn2)c(=O)n(C)c1=O | [C][C][Branch1][C][C][C][N][C][Branch1][C][N][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][S][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring2][Ring1][#Branch1][=O] |
O=C(CSc1nnc(CN2CCCCCC2=O)n1-c1cccnc1)Nc1ccnn1C1CCCC1 | [O][=C][Branch2][Ring1][#C][C][S][C][=N][N][=C][Branch1][N][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][Branch1] |
Cn1nc(CC(=O)OCc2ccccc2Cl)c2ccccc2c1=O | [C][N][N][=C][Branch1][P][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
O=C(CCNC(=O)c1ccsc1)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 | [O][=C][Branch1][#C][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C] |
Cn1nc(CC(=O)OCC(N)=O)c2ccccc2c1=O | [C][N][N][=C][Branch1][=N][C][C][=Branch1][C][=O][O][C][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O] |
Cc1cc(N)nc(SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)n1 | [C][C][=C][C][Branch1][C][N][=N][C][Branch2][Ring1][P][S][C][C][=Branch1][C][=O][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][=N][=O][=N][Ring2][Ring1][=Branch2] |
Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1nn(C)c(=O)c2ccccc12 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] |
Cn1nc(CC(=O)OCCOc2ccccc2Cl)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O] |
CC(C)c1cc(NC(=O)CSc2nnc(CN3CCCCCC3=O)n2-c2cccnc2)on1 | [C][C][Branch1][C][C][C][C][=C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][N][C][C][C][C][C][C][Ring1][#Branch1][=O][N][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][O][N][=Ring2][Ring1][=C] |
CC(C)CN(C(=O)CCNC(=O)c1ccsc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O | [C][C][Branch1][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
COc1cccc(-n2ccnc2SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][NH1][Ring1][S][=C][Ring2][Ring1][=N] |
Cn1nc(CC(=O)OCC(=O)Nc2ccccc2OC(F)F)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][O][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][N][=O] |
Cn1nc(CC(=O)OCc2ccc(Cl)cc2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=Branch1][=O] |
O=C(COC(=O)c1cccc(OCc2ccc(F)cc2)c1)Nc1c(Cl)cccc1C(F)(F)F | [O][=C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F] |
Cn1nc(CC(=O)OCC(=O)NCC(F)(F)F)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] |
O=C(COC(=O)c1cccc(OCc2ccc(F)cc2)c1)NCC(=O)Nc1ccc(F)c(F)c1F | [O][=C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][F] |
CN(Cc1ccco1)C(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1 | [C][N][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C] |
COc1ccc(OCCOC(=O)Cc2nn(C)c(=O)c3ccccc23)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][O][C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch2] |
CCCCSc1nnc(SCC(=O)N(CC#N)c2ccccc2)s1 | [C][C][C][C][S][C][=N][N][=C][Branch2][Ring1][Branch1][S][C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][#N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring2][Ring1][Ring1] |
Cc1c(Cl)cccc1NC(=O)COC(=O)CSc1ccc2c(c1)CCC2 | [C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1] |
COc1ccc(Cc2nnc(SCc3nc(=O)c4c(C)c(C)sc4[nH]3)n2N)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][C][C][=N][N][=C][Branch2][Ring1][=Branch2][S][C][C][=N][C][=Branch1][C][=O][C][C][Branch1][C][C][=C][Branch1][C][C][S][C][=Ring1][#Branch1][NH1][Ring1][N][N][Ring2][Ring1][Ring1][N][C][=C][Ring2][Ring1][O] |
CCN(CC)c1ccc(-c2nnc(SCC(=O)NNC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][Branch2][C][=N][N][=C][Branch2][Ring1][N][S][C][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][Ring2][Ring1][=Branch1][C][C][=C][Ring2][Ring1][=N] |
Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)c2cccc(OCc3ccc(F)cc3)c2)c(C)c1 | [C][C][=C][C][Branch1][C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][C][Branch1][C][C][=C][Ring2][Ring2][C] |
CC(C)(C)C(=O)NCc1ccc(C(=O)COC(=O)c2cccc(OCc3ccc(F)cc3)c2)s1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][S][Ring2][Ring1][#Branch2] |
Cc1cccc(-n2ccnc2SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)c1 | [C][C][=C][C][=C][C][Branch2][Ring2][Ring2][N][C][=C][N][=C][Ring1][Branch1][S][C][C][=N][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][C][=Ring1][O][NH1][Ring1][S][=C][Ring2][Ring1][=N] |
CS(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)c2cccc(OCc3ccc(F)cc3)c2)c1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][=C][Ring2][Ring1][=N] |
CN(Cc1ccccc1)C(=O)COC(=O)Cc1nn(C)c(=O)c2ccccc12 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][N][Ring1][=Branch1] |
COc1ccc(-c2nnc(SCC(=O)N3CCc4[nH]c5ccccc5c4C3)n2-c2ccccc2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=N][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=Branch1][C][=O][N][C][C][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][Ring1][=N][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring2][C] |
CCN(CC)c1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(O)ccc34)n2C)cc1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][S][C][C][=C][C][=Branch1][C][=O][O][C][=C][Branch1][C][C][C][Branch1][C][O][=C][C][=C][Ring1][=N][Ring1][Branch2][N][Ring2][Ring1][Ring2][C][C][=C][Ring2][Ring1][O] |
COC(=O)c1cc(COC(=O)CSc2ccc3c(c2)CCC3)oc1C | [C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][O][C][=Ring2][Ring1][Ring2][C] |
Cn1cnc2c1c(=O)n(CCCOC(=O)CSc1ccc3c(c1)CCC3)c(=O)n2C | [C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][Ring1][=Branch2][C] |
O=C(COC(=O)CSc1ccc2c(c1)CCC2)Nc1ccccc1OC(F)F | [O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][F][F] |
Cn1nc(CC(=O)OCc2nc(-c3ccc(Cl)cc3)no2)c2ccccc2c1=O | [C][N][N][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][O][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][O][=O] |
Cc1ccc(NC(=O)Cc2nc(COC(=O)CSc3ccc4c(c3)CCC4)cs2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][=C][S][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C] |
O=C(COC(=O)c1cccc(OCc2ccc(F)cc2)c1)Nc1ccccc1C(F)(F)F | [O][=C][Branch2][Ring1][=C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
C[C@H](CCc1ccccc1)NC(=O)Cc1csc(-c2ccccn2)n1 | [C][C@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] |
COc1ccc(OC)c(NC(=O)c2sc3nc(C)cc(C)c3c2-n2cccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][=C][C][=C][Ring1][Branch1][=C][Ring2][Ring1][O] |
CCc1nc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)cs1 | [C][C][C][=N][C][Branch2][Ring1][=Branch2][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][S][Ring2][Ring1][Ring1] |
O=C(COC(=O)CSc1ccc2c(c1)CCC2)NCc1cccs1 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][C][=C][C][=C][S][Ring1][Branch1] |
CC(C)CN(C(=O)Cc1csc(-c2ccccn2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O | [C][C][Branch1][C][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
CCOc1ccc(CN(C)C(=O)COC(=O)CSc2ccc3c(c2)CCC3)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][N][Branch1][C][C][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
CCOC(=O)CCCNC(=O)COC(=O)c1cccc(OCc2ccc(F)cc2)c1 | [C][C][O][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][Ring1][#C] |
Cc1sc(NC(=O)c2ccc(F)c(F)c2)c(C#N)c1C | [C][C][S][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2][=C][Branch1][Ring1][C][#N][C][=Ring2][Ring1][C][C] |
O=C(COC(=O)CSc1ccc2c(c1)CCC2)Nc1ccc(N2CCOCC2)cc1 | [O][=C][Branch2][Ring1][Branch2][C][O][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][Ring1][=Branch1][N][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N] |
CCCCCN(C(=O)c1cc(F)ccc1F)c1c(N)n(CCCC)c(=O)[nH]c1=O | [C][C][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][F][C][=C][Branch1][C][N][N][Branch1][Branch1][C][C][C][C][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
Cc1cc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)ccc1F | [C][C][=C][C][Branch2][Ring1][#C][C][N][C][=Branch1][C][=O][C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][Branch2][F] |
C[C@@H](CCc1ccccc1)NC(=O)Cc1csc(-c2ccccn2)n1 | [C][C@@H1][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][Ring1][O] |
O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(F)c(F)c1 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)c1ccc(F)c(F)c1 | [C][C][N][Branch1][Ring1][C][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
O=C(Nc1ccccc1N1CCCC1)c1ccc(F)c(F)c1 | [O][=C][Branch1][P][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
COc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][=Ring1][O][N][C][=C][C][=C][Ring1][Branch1] |
CC(C)CN(C(=O)c1cc(C(C)C)nc2c1cnn2C(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O | [C][C][Branch1][C][C][C][N][Branch2][Ring1][=C][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][C][=C][Ring1][=Branch2][C][=N][N][Ring1][Branch1][C][Branch1][C][C][C][C][=C][Branch1][C][N][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Ring1][N][=O] |
CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(F)c(F)c1 | [C][C][N][Branch1][#C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][Branch2] |
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