SMILE
stringlengths 1
100
| SELFIE
stringlengths 3
558
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|---|---|
CC1C=CCN(N=O)C1 | [C][C][C][=C][C][N][Branch1][Ring1][N][=O][C][Ring1][Branch2] |
COCCOc1cc2ncnc(NC3=CC(=O)C(N4CCOCC4)=CC3=O)c2cc1OC | [C][O][C][C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][Branch2][N][C][=C][C][=Branch1][C][=O][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][C][Ring1][=N][=O][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=Branch2][O][C] |
COC(=O)NC(Cc1ccccc1)C(=O)NC(Cc1ccc(NS(=O)(=O)O)cc1)c1ncc(-c2ccccc2)s1 | [C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][O][C][=C][Ring1][O][C][=N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][O] |
CC(C)C(CC(=O)NC1CCNCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)CC(CO)NC(=O)C1CCCCC1N | [C][C][Branch1][C][C][C][Branch2][Branch1][#Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][#Branch1][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][N] |
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(C=CCN4CCCC4)ccc23)cc1Cl | [C][N][C][=C][N][=C][Ring1][Branch1][S][C][=C][C][=C][Branch2][Ring1][P][N][C][=C][Branch1][Ring1][C][#N][C][=N][C][=C][C][Branch1][O][C][=C][C][N][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring2][Ring1][=C][C][=C][Ring2][Ring1][O][Cl] |
COc1ncccc1C(=O)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1 | [C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][Ring2][Ring1][Ring1] |
[N-]=[N+]=C1c2ccccc2-c2c1cccc2[N+](=O)[O-] | [N-1][=N+1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=Branch2][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
NCC(CC(=O)O)c1ccc(OCc2ccc(F)cc2)cc1 | [N][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][=C][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][Ring1][#C] |
COc1ccccc1OCC(=O)NCC1(N(C)C)CCCCC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch2] |
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)c1 | [C][C][=C][C][=C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][Ring2][Ring1][=Branch2] |
COc1ccc2cc3[n+](cc2c1OC(=O)N1CCN(c2ccccn2)CC1)CCc1cc2c(cc1-3)OCO2 | [C][O][C][=C][C][=C][C][=C][N+1][=Branch2][Ring1][#C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][C][C][=C][C][=C][Branch1][Branch2][C][=C][Ring1][=Branch1][Ring2][Ring1][N][O][C][O][Ring1][#Branch1] |
O=C(CN1CCOCC1)n1c2ccccc2c2ccccc21 | [O][=C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
CC(NCc1cc2ccccc2[nH]1)c1ccc(F)c2ccccc12 | [C][C][Branch1][S][N][C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
COc1ccc(Cc2noc(CN(C)CCN3CCc4ccccc4C3)n2)cc1OC | [C][O][C][=C][C][=C][Branch2][Ring2][C][C][C][=N][O][C][Branch2][Ring1][=Branch1][C][N][Branch1][C][C][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O][O][C] |
CC(=O)c1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 | [C][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][N][C][=C][Ring2][Ring1][Branch1] |
CCOC(=O)Cc1nnc(NC(=O)CSc2ccccc2)s1 | [C][C][O][C][=Branch1][C][=O][C][C][=N][N][=C][Branch1][S][N][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][S] |
CCC1C2C3Cc4ccc(OC)c5c4C2(CCN3C)C(O5)C(O)C1(CO)CO | [C][C][C][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][N][Branch1][#Branch1][C][C][N][Ring1][=C][C][C][Branch1][Ring2][O][Ring1][=Branch2][C][Branch1][C][O][C][Ring2][Ring1][=Branch1][Branch1][Ring1][C][O][C][O] |
O=C(CCCCCOc1ccc(F)cc1F)Nc1ccnc(C(F)(F)F)c1 | [O][=C][Branch2][Ring1][Ring1][C][C][C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C][=C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
Cc1cc(=O)oc2c3c(cc(OCC(=O)NCCC(=O)O)c12)OC(C)(C)CC3 | [C][C][=C][C][=Branch1][C][=O][O][C][=C][C][=Branch2][Ring1][=Branch2][=C][C][Branch1][#C][O][C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1][Ring1][S][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][Branch1] |
Cc1ccc(-c2nc(C)c(C(OC(C)(C)C)C(=O)O)c(-c3ccc4c(c3C)CCCO4)c2C)cc1C | [C][C][=C][C][=C][Branch2][Branch1][=Branch1][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][C][C][Branch1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch2][Ring1][C][C][=C][C][=C][C][=Branch1][Branch1][=C][Ring1][=Branch1][C][C][C][C][O][Ring1][Branch2][=C][Ring2][Ring1][O][C][C][=C][Ring2][Ring2][C][C] |
CNC(=O)C1(c2ccccc2)CCN(c2ncc(C(O)(C(F)(F)F)C(F)(F)F)s2)CC1 | [C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][P][C][=N][C][=C][Branch2][Ring1][#Branch1][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F][S][Ring1][#C][C][C][Ring2][Ring1][O] |
O=C1c2ccc(O)cc2OC(c2ccc(O)cc2)C1O | [O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][O] |
CC(CN(C)Cc1ccccc1)NC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 | [C][C][Branch1][#C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][C][C][=N][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][=Branch2][C][=C][Ring1][#C] |
CC(=O)Nc1ccc2c3ccccc3n(C)c2c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][Ring1][#Branch2][=C][Ring1][=C] |
CCCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1 | [C][C][C][C][C][C][C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Ring1][=N][=C][Ring1][P][=C][Ring2][Ring1][=C] |
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)N(C)C)CC1 | [C][C][=N][C][=C][N][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][=N][Cl][=C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][=Branch2][N][Ring2][Ring1][N][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][Ring1][O] |
NC(CCc1cccc(F)c1F)(C(=O)O)C1CC1C(=O)O | [N][C][Branch1][#C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][O] |
Cc1ccccc1-c1noc(-c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)n1 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][O][C][Branch2][Ring1][=N][C][=C][C][=C][Branch1][N][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S][=N][Ring2][Ring1][Branch1] |
CCCCCCCCCCCCCCC1COC(COCCCCCC[N+](C)(C)C)C1 | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][O][C][Branch1][P][C][O][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][Ring1][P] |
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(C)Sc1nnc(C)n1CC1CCCO1 | [C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][C][C][S][C][=N][N][=C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1] |
COc1ccc(C(=O)CC(=O)c2ccc(OC)cc2OC)c(OC)c1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][#Branch1] |
COC(=O)C=C1OCc2ccc(C)cc21 | [C][O][C][=Branch1][C][=O][C][=C][O][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CC1=CC(=O)C(O)C2(C)C1CC1OC(=O)C(OC(=O)CC3(O)CCC3)C3C(C)C(O)C4(O)OCC13C42 | [C][C][=C][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][C][C][C][Ring1][=Branch2][C][C][O][C][=Branch1][C][=O][C][Branch1][S][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][Ring1][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][C][Branch1][C][O][O][C][C][Ring2][Ring1][Branch2][Ring1][#Branch2][C][Ring1][=Branch1][Ring2][Ring1][=N] |
O=C(O)CCCCCc1ccn2cc(-c3ccc(-c4ccccc4)c(C(F)(F)F)c3)nc2c1 | [O][=C][Branch1][C][O][C][C][C][C][C][C][C][=C][N][C][=C][Branch2][Ring1][=N][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][S][N][=C][Ring2][Ring1][Branch1][C][=Ring2][Ring1][=Branch2] |
CC1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ncccn4)cc3c21 | [C][C][C][N][C][=Branch1][C][=O][C][NH1][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][#C][C][=Ring2][Ring1][C][Ring2][Ring1][#Branch1] |
O=C(CN1c2nc(N3CC4CC3CO4)cc(=O)n2CCC1C(F)(F)F)c1ccc(OC(F)F)cc1 | [O][=C][Branch2][Ring2][=Branch2][C][N][C][=N][C][Branch1][N][N][C][C][C][C][Ring1][Branch1][C][O][Ring1][Branch1][=C][C][=Branch1][C][=O][N][Ring1][=C][C][C][C][Ring2][Ring1][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CC(C)(C)c1ccc(C2(C(=O)NCCS(N)(=O)=O)CC2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][#Branch1][C][Branch1][S][C][=Branch1][C][=O][N][C][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][C][Ring1][N][C][=C][Ring2][Ring1][C] |
CSc1ncccc1C(=O)OCC(=O)c1ccccc1 | [C][S][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(CC1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C)=NO | [C][C][Branch2][Ring2][=Branch1][C][C][C][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][=N][C][C][C][Ring2][Ring1][Ring2][Ring1][P][C][=N][O] |
CCS(=O)(=O)c1ccc(C)c(C#Cc2cc(Cl)ccc2OCC(=O)O)c1 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][Branch1][C][#C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][O][=C][Ring2][Ring1][Branch1] |
CC(CCn1ccc(-c2ccc3ccccc3c2)cc1=O)(C(=O)NO)S(C)(=O)=O | [C][C][Branch2][Ring1][N][C][C][N][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][=C][C][Ring1][S][=O][Branch1][#Branch1][C][=Branch1][C][=O][N][O][S][Branch1][C][C][=Branch1][C][=O][=O] |
Cc1ccc[n+](CCCCCC[n+]2cccc(C)c2)c1 | [C][C][=C][C][=C][N+1][Branch2][Ring1][C][C][C][C][C][C][C][N+1][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][Ring1] |
Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)NC2CCS(=O)(=O)C2)cn1 | [C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][O][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][=N][Ring1][S] |
COc1cc(C(C)C)c(Oc2cnc(N)nc2N)cc1C#C[Si](C)(C)C | [C][O][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch1][=C][O][C][=C][N][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][C][=C][Ring2][Ring1][C][C][#C][Si][Branch1][C][C][Branch1][C][C][C] |
O=C(NC1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2ncccc2C(=O)O)c(O)c1)c1ccc(O)cc1 | [O][=C][Branch2][Branch1][Ring1][N][C][C][N][C][C][C][C][Ring1][#Branch1][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][C][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
CCc1c(-c2nnc(C3(c4ccccc4)CC3)s2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 | [C][C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][=C][Branch1][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=Branch2][S][Ring1][=C][N][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][N][Ring2][Ring1][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
FC(F)(F)c1cccc(-c2csc(C3COc4ccccc4O3)n2)c1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][S][C][Branch1][#C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2][=N][Ring1][#C][=C][Ring2][Ring1][Branch1] |
CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccco3)c2)cc1 | [C][C][O][C][=C][C][=C][Branch2][Ring2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][P][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][=C][Ring1][S][C][=C][Ring2][Ring1][#Branch2] |
COc1c(CC=C(C)C)c2c(c(O)c1C(C)=O)C=CC(C)(C)O2 | [C][O][C][=C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=C][Branch1][=N][C][Branch1][C][O][=C][Ring1][N][C][Branch1][C][C][=O][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=C] |
COc1ccc(CNC(=O)C2CCN(Cc3nc(-c4ccc(OC)c(OC)c4)oc3C)CC2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][=C][C][N][C][=Branch1][C][=O][C][C][C][N][Branch2][Ring1][N][C][C][N][=C][Branch1][P][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][C][C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][P] |
Cc1nc(-c2cnn(C)c2Oc2ccccc2)cn2c(C)nnc12 | [C][C][=N][C][Branch2][Ring1][Ring2][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][C][Branch1][C][C][=N][N][=C][Ring2][Ring1][#Branch1][Ring1][=Branch1] |
COC(=O)c1c(C)nc(C)c2c1C(=O)C=CC2=O | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][=O] |
CN(C)CC#CCCC(=O)C(O)(c1ccccc1)C1(C)CC1 | [C][N][Branch1][C][C][C][C][#C][C][C][C][=Branch1][C][=O][C][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C][C][Ring1][Ring2] |
C=CCc1cc(Cl)ccc1OCCOCCNC(C)CC | [C][=C][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][O][C][C][N][C][Branch1][C][C][C][C] |
CC1(CS(=O)(=O)c2ccccc2)OOC2CC1CC(O)C2(C)O | [C][C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][O][C][C][C][Ring1][S][C][C][Branch1][C][O][C][Ring1][#Branch1][Branch1][C][C][O] |
CCCCCCCCc1ccc(CCC(N)CCP(=O)(O)O)cc1 | [C][C][C][C][C][C][C][C][C][=C][C][=C][Branch1][P][C][C][C][Branch1][C][N][C][C][P][=Branch1][C][=O][Branch1][C][O][O][C][=C][Ring1][S] |
COc1cc2oc(-c3ccc(O)cc3)cc(=O)c2c(O)c1C1OC(CO)C(O)C(O)C1O | [C][O][C][=C][C][O][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][=Branch1][C][=O][C][=Ring1][=C][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O] |
COc1ccccc1C(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Cc1ccc(-c2nnc(C3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)o2)cc1 | [C][C][=C][C][=C][Branch2][Ring2][N][C][=N][N][=C][Branch2][Ring1][P][C][C][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][C][Ring1][P][O][Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][N] |
C=C1CCCC2(C)c3ccc(C(C)C)cc3C(=O)CC12 | [C][=C][C][C][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][=Branch1][C][=O][C][C][Ring2][Ring1][Ring1][Ring1][#C] |
O=C(NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccn1 | [O][=C][Branch2][Ring1][O][N][N][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1] |
COc1cc2c(cc1O)Cc1c-2n[nH]c1-c1ccc(C#N)cc1 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][C][C][Ring1][Branch2][=N][NH1][C][=Ring1][Branch1][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2] |
CC(C)(C)Cc1nc(-c2ccc(Cl)cc2)no1 | [C][C][Branch1][C][C][Branch1][C][C][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N] |
CCOc1ccc(-n2cnnn2)cc1S(=O)(=O)NC1CC1 | [C][C][O][C][=C][C][=C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][C][=C][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] |
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cnc4c(c3)-c3nc5c(n3CO4)CCCC5)cc12 | [C][N][C][=Branch1][C][=O][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Branch2][Ring1][=C][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][C][=C][Branch1][Branch2][N][Ring1][Branch1][C][O][Ring1][#Branch2][C][C][C][C][Ring1][=Branch2][C][=C][Ring2][Ring2][#Branch1][Ring2][Ring1][=N] |
COC(=O)c1sc(=NC(=S)N(C)C)n(-c2ccc(Cl)cc2)c1C(=O)OC | [C][O][C][=Branch1][C][=O][C][S][C][=Branch1][O][=N][C][=Branch1][C][=S][N][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Ring2][Ring1][C][C][=Branch1][C][=O][O][C] |
CCOC(=O)c1cc2n(c1C)-c1ccccc1-c1ccccc1-2 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][Branch1][Branch1][C][=Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][S] |
CCOC(=O)c1sc2c(c1C)C(=O)N(N)C(SC1OC(COC(C)=O)C(OC(C)=O)=C(OC(C)=O)C1OC(C)=O)N2 | [C][C][O][C][=Branch1][C][=O][C][S][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][N][Branch1][C][N][C][Branch2][Ring2][#Branch2][S][C][O][C][Branch1][Branch2][C][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O][N][Ring2][Ring2][C] |
CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(Br)cc1 | [C][N][Branch2][Ring1][=Branch1][C][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |
CC(C)(Cc1ccccc1)NC1=NCCO1 | [C][C][Branch1][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][C][O][Ring1][Branch1] |
Nc1ccc(-c2nc(-c3ccco3)no2)c(Cl)c1 | [N][C][=C][C][=C][Branch1][P][C][=N][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][O][Ring1][#Branch2][C][Branch1][C][Cl][=C][Ring1][P] |
CC(=O)Nc1ccc(NC(=O)C(C)OC(=O)CCSc2ccccc2Cl)cc1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=C][Ring2][Ring1][Branch2] |
CCOC(=O)c1cc(C#N)c(N2CC(C(=O)NS(=O)(=O)Cc3ccc(F)cc3)C2)nc1C | [C][C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][C][#N][=C][Branch2][Ring2][Ring1][N][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][N][=C][Ring2][Ring1][#Branch2][C] |
CCc1ccc(C(=O)NN(C(=O)c2cc(C)cc(CCl)c2)C(C)(C)C)cc1 | [C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][Branch1][Ring1][C][Cl][=C][Ring1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=Branch2] |
CCN(CC)CCCNC(=O)c1csc(Nc2cccc3ccccc23)n1 | [C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][S][C][Branch1][S][N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=N][Ring1][S] |
O=C(Nc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1)c1ccc(F)cc1 | [O][=C][Branch2][Ring2][#Branch1][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=N][C][=N][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COc1ccc(-c2ccc(SCC(=O)NC3CCCC3)nn2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][S][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][N][=N][Ring1][S][C][=C][Ring2][Ring1][=Branch1] |
CC(=NOCCF)c1ccc2nnc(Cc3c(F)cc4ncccc4c3F)n2n1 | [C][C][=Branch1][=Branch1][=N][O][C][C][F][C][C][=C][C][=N][N][=C][Branch2][Ring1][Ring2][C][C][=C][Branch1][C][F][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][F][N][Ring2][Ring1][C][N][=Ring2][Ring1][=Branch1] |
CCOC(=O)c1ccc(-n2nc(C(=O)OCC)c3csc(N)c3c2=O)cc1 | [C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][N][N][=C][Branch1][Branch2][C][=Branch1][C][=O][O][C][C][C][=C][S][C][Branch1][C][N][=C][Ring1][=Branch1][C][Ring1][#C][=O][C][=C][Ring2][Ring1][=Branch1] |
Cn1ccc(-c2ccc(C(F)(F)F)cc2)c1 | [C][N][C][=C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][=C][Ring1][#C] |
COc1cc(Nc2nc3ccccc3nc2NS(C)(=O)=O)cc(C(=O)N2CCOCC2)c1 | [C][O][C][=C][C][Branch2][Ring1][=Branch2][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][=C] |
O=C1C(C=NCc2ccncc2)=C(O)c2ccccc21 | [O][=C][C][Branch1][N][C][=N][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring1] |
CC(C)C(C)NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] | [C][C][Branch1][C][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][O][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+1][=Branch1][C][=O][O-1] |
CN(CCc1cccc2ccccc12)Cc1nc(N)nc(N(C)C)n1 | [C][N][Branch1][P][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch1][N][Branch1][C][C][C][=N][Ring1][#Branch2] |
O=C(CSCc1ccccc1Cl)N1CCN(c2ccc(Cl)cc2)CC1 | [O][=C][Branch1][=N][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CCCCC(=O)N(CCOC)c1nnc(-c2cccnc2)s1 | [C][C][C][C][C][=Branch1][C][=O][N][Branch1][Branch1][C][C][O][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][S][Ring1][O] |
NCc1cccc(-c2cccc(OC(=O)NC3CCCCC3)c2)c1 | [N][C][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][Branch1][#C][O][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][S][=C][Ring2][Ring1][=Branch1] |
O=C(O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 | [O][=C][Branch1][C][O][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
O=C(CCc1nc2cccnc2n1Cc1ccccc1)NCc1ccccc1F | [O][=C][Branch2][Ring1][=Branch2][C][C][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
ON=C(NCc1ccccc1F)c1ccc(Oc2ccc(Cl)cc2)nc1 | [O][N][=C][Branch1][N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][=C][Ring1][=C] |
Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1 | [C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=C][C][Branch2][Ring1][=Branch1][N][C][C][C][Branch1][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][C][Ring1][=N][=N][C][=C][Ring2][Ring1][Ring1][Cl][C][Branch1][C][C][=C][Ring2][Ring1][O] |
CCn1c(Nc2ccccc2Cl)nc2cnc(Nc3c(F)cccc3F)nc21 | [C][C][N][C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][C][=C][N][=C][Branch1][=C][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Ring1][#C][Ring2][Ring1][#Branch2] |
c1ccc2c3c(c(N4CCNCC4)nc2c1)CCCC3 | [C][=C][C][=C][C][=C][Branch2][Ring1][Ring1][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][C][Ring1][N][=C][Ring1][S][C][C][C][C][Ring1][S] |
O=C(CN(Cc1cccs1)C1CCS(=O)(=O)C1)NC1CCCCC1 | [O][=C][Branch2][Ring1][#Branch2][C][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][C][C][C][C][C][C][Ring1][=Branch1] |
O=C(c1cnc2nc3ccccc3n2c1)c1cc(F)ccc1O | [O][=C][Branch2][Ring1][Ring2][C][C][=N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][C][=Ring1][=N][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O] |
CCCCNC(=O)c1onc(CSc2cccc(C)c2)c1C(=O)O | [C][C][C][C][N][C][=Branch1][C][=O][C][O][N][=C][Branch1][=C][C][S][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=Ring1][=C][C][=Branch1][C][=O][O] |
O=C(CSCc1ccccc1)N1CCc2ccccc21 | [O][=C][Branch1][N][C][S][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
COc1cc(C=NNc2nc(-c3ccccc3)cs2)cc(OC)c1O | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=N][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch1][O] |
C=C1C(C2(C)C=CC(=O)C(C)(C)C2CC(=O)OC)C(OC(C)=O)C(OC(C)=O)C2(C)C(C3=CC(O)OC3=O)CC3OC132 | [C][=C][C][Branch2][Ring1][N][C][Branch1][C][C][C][=C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][Ring1][#Branch2][C][C][=Branch1][C][=O][O][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][C][Branch1][N][C][=C][C][Branch1][C][O][O][C][Ring1][=Branch1][=O][C][C][O][C][Ring2][Ring2][=Branch2][Ring1][Ring1][Ring1][=C] |
N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2C12C(=O)N(CCBr)c1ccccc12 | [N][#C][C][=C][Branch1][C][N][O][C][NH1][C][=Branch1][C][=O][NH1][C][=Branch1][C][=O][C][=Ring1][Branch2][C][Ring1][=N][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][Br][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N] |
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