molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
COc1cc([C@@H]2c3cc4c(cc3[C@@H](CC(=O)NCCN3CCCCC3)C3COC(=O)C32)OCO4)cc(OC)c1O | [C][O][C][=C][C][Branch2][Branch1][Ring1][C@@H1][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][Ring1][=Branch1][C@@H1][Branch1][P][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][O][C][=Branch1][C][=O][C][Ring1][=Branch1][Ring2][Ring1][#Branch2][O][C][O][Ring2][Ring1][#Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][Branch1][O] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][Branch1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=Branch1][C][=O][O] |
COc1ccc2c(c1)OCCC/C=C\CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@H]31)S2(=O)=O | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][/C][=C][\C][C][C@@H1][Branch1][C][C][C][N][Branch2][Ring2][Ring2][C][C@@H1][Branch1][C][O][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C@H1][C][O][C@H1][O][C][C][C@H1][Ring1][Branch1][Ring1][Branch2][S][Ring2][Ring2][#Branch1][=Branch1][C][=O][=O] |
CC[C@H](C)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(N)CCCCN)C(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][=Branch2][=N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O] |
N#CC1=C2SCC(=O)N2C(=N)C(C#N)C1c1ccccc1Cl | [N][#C][C][=C][S][C][C][=Branch1][C][=O][N][Ring1][=Branch1][C][=Branch1][C][=N][C][Branch1][Ring1][C][#N][C][Ring1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CC[C@H](C)C(N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccc(O)cc1)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C] |
Cc1ccc(-c2cnc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)o1 | [C][C][=C][C][=C][Branch2][Ring1][S][C][=C][N][=C][O][C][=C][Branch1][S][C][=C][C][=C][Branch1][=Branch1][S+1][Branch1][C][C][O-1][C][=C][Ring1][=Branch2][C][Ring1][=C][=C][Ring2][Ring1][C][O][Ring2][Ring1][#Branch1] |
CC(C)CC(NC(=O)C(CS)NC(=O)C(CCC(N)=O)NC(=O)C(N)Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O)[C@@H](C)O)[C@@H](C)O | [C][C][Branch1][C][C][C][C][Branch2][Ring2][P][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O] |
CC[C@H](C)C(NC(=O)C(N)CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(C(=O)NC(CO)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CCSC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][=N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][=Branch2][#C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch2][=Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C] |
CCCCC(NC(=O)C(CC(C)C)NC(=O)C(CCC(N)=O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)N)C(C)C)[C@@H](C)CC)C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCNC(=O)c1ccccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc12)C(N)=O | [C][C][C][C][C][Branch2][Branch2][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][N][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][S][Ring1][#Branch1][C][Branch1][C][N][=O] |
Nc1ccc(Nc2ccccc2)cc1 | [N][C][=C][C][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
COc1ccc(OC)c([C@@H]2O[C@H](CNC(=O)c3ccccc3C(=O)O)[C@@H](OC(=O)c3ccccc3)[C@H](OC(=O)c3ccccc3)[C@H]2OC(=O)c2ccccc2)c1 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][=Branch1][O][C@@H1][O][C@H1][Branch2][Ring1][Ring2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Ring2][Branch1][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Branch1][=Branch1] |
O=C(Nc1cccc(OCCCN2CCOCC2)c1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CCCN(CCC)[C@@H]1CCc2c(OC)cccc2[C@@H]1C | [C][C][C][N][Branch1][Ring2][C][C][C][C@@H1][C][C][C][=C][Branch1][Ring1][O][C][C][=C][C][=C][Ring1][Branch2][C@@H1][Ring1][N][C] |
CC(C)C(NS(=O)(=O)c1ccc2c(c1)oc1cc(N)ccc12)C(=O)O | [C][C][Branch1][C][C][C][Branch2][Ring1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][Ring1][O][C][=Branch1][C][=O][O] |
CC1(C)CC(NC(=S)Nc2ccc(C#N)cc2)c2cc(Cl)ccc2O1 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][Ring2][Ring1][Branch2] |
COC(=O)C(O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)N1CCOCC1)Cc1cccc2ccccc12 | [C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
Cc1cc(=O)n(CCOc2ccc3c(c2)Nc2ccccc2O3)[nH]1 | [C][C][=C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][NH1][Ring2][Ring1][#Branch1] |
CN(C)CCCNC(=O)c1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)CCCNC(=O)c4cc(NC(=O)c5cc(NC(=O)c6nc(NC(=O)CCNC(=S)Nc7ccc(-c8c9ccc(=O)cc-9oc9ccc(O)cc89)c(C(=O)O)c7)cn6C)cn5C)cn4C)cn3C)cn2C)cn1C | [C][N][Branch1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][O][Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch2][#Branch1][N][C][=Branch1][C][=O][C][=N][C][Branch2][=Branch2][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch2][#Branch1][=N][N][C][=Branch1][C][=O][C][=C][C][Branch2][=Branch1][N][N][C][=Branch1][C][=O][C][=N][C][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=Branch1][C][=O][C][=C][Ring1][#Branch1][O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][S][Ring1][#Branch1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring2][Ring1][=Branch2][=C][N][Ring2][Ring2][#Branch1][C][=C][N][Ring2][Ring2][S][C][=C][N][Ring2][Branch1][=Branch2][C][=C][N][Ring2][=Branch1][Branch2][C][=C][N][Ring2][=Branch1][P][C][=C][N][Ring2][#Branch1][#Branch2][C] |
CC[C@H](C)C(NC(=O)C(C)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCC(N)=O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)CC(=O)O)C(C)C)C(C)C)C(C)C)C(=O)NC(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)NC(C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C)C(=O)O)[C@@H](C)CC)C(C)C)C(C)C)C(C)C)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][#Branch2][S][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch3][Ring1][=Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][P][Ring1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch2][O][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][=Branch2][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][S][C][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C] |
CCc1c(C)sc(NC(=S)NCc2ccccn2)c1C(=O)OC | [C][C][C][=C][Branch1][C][C][S][C][Branch1][S][N][C][=Branch1][C][=S][N][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][P][C][=Branch1][C][=O][O][C] |
O=C1N=C(NCc2ccco2)N=C1Cc1c[nH]c2ncccc12 | [O][=C][N][=C][Branch1][#Branch2][N][C][C][=C][C][=C][O][Ring1][Branch1][N][=C][Ring1][N][C][C][=C][NH1][C][=N][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CC[C@H](C)C(NC(=O)C(CO)NC(=O)C(N)Cc1ccccc1)C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)O)NC(=O)c2cc(N3CCC(C(=O)NC)CC3)cc(-c3ccccc3)n2)CC1 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][P][N][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][#Branch2][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring2][#Branch1] |
COC(=O)C1O[C@@H](O[C@H]2[C@H](O[C@H]3CC[C@]4(C)C5C(=O)C=C6C7C[C@@](C)(C(=O)O)CC[C@]7(C)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)OC(C(=O)OC)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | [C][O][C][=Branch1][C][=O][C][O][C@@H1][Branch2][#Branch1][O][O][C@H1][C@H1][Branch2][=Branch1][C][O][C@H1][C][C][C@][Branch1][C][C][C][C][=Branch1][C][=O][C][=C][C][C][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][C@][Ring1][#Branch2][Branch1][C][C][C][C][C@@][Ring1][#C][Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C][C][C@H1][Ring2][Ring1][O][C][Ring2][Ring1][#C][Branch1][C][C][C][O][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=N][O][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][Branch1][#Branch1][O] |
N=C(N)Nc1ccc(C(=O)Nc2ccccc2)cc1 | [N][=C][Branch1][C][N][N][C][=C][C][=C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C] |
O=C(CC1NCCCC1O)Cn1cnc2cc(Br)c(Cl)cc2c1=O | [O][=C][Branch1][O][C][C][N][C][C][C][C][Ring1][=Branch1][O][C][N][C][=N][C][=C][C][Branch1][C][Br][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][Ring1][N][=O] |
CC[C@H](C)C(NC(=O)C(NC(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)[C@@H](C)O)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CCOC(=O)CC(=O)OCC1Oc2ccc(C3Oc4cc(O)cc(O)c4C(=O)C3O)cc2OC1c1ccc(O)c(OC)c1 | [C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][O][C][=C][C][Branch1][C][O][=C][C][Branch1][C][O][=C][Ring1][Branch2][C][=Branch1][C][=O][C][Ring1][=N][O][C][=C][Ring2][Ring1][Ring2][O][C][Ring2][Ring1][Branch2][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2] |
N#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)sc3c2)ccc1F | [N][#C][C][=C][C][Branch2][Ring2][Ring2][C][=C][N][=C][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][S][C][Ring1][P][=C][Ring2][Ring1][Branch1][=C][C][=C][Ring2][Ring1][O][F] |
CC[C@H](C)C(NC(=O)c1ccc(-c2ccccc2)cc1)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)Nc1cccc(Br)n1)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][Br][=N][Ring1][#Branch1][C][Branch1][C][C][C] |
CC(C)(C)c1ccc(NC(=O)c2cccc(CN3CCCN(CC4CCCCC4)CC3)c2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][C][C][N][Branch1][#Branch2][C][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=C][=C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=C] |
COc1ccc(-c2nnc(-c3ccc([125I])cc3)o2)cc1 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][125I][C][=C][Ring1][#Branch1][O][Ring1][N][C][=C][Ring2][Ring1][C] |
COc1ccc(-c2ccc(Cn3cc(C(=O)O)c(=O)c4cccc(F)c43)cc2)cn1 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][C][=C][Branch2][Ring1][=N][C][N][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][Ring1][#C][C][=C][Ring2][Ring1][=Branch1][C][=N][Ring2][Ring1][N] |
NCCS(=O)(=O)N1CCc2c([nH]c3ccc(Cl)cc23)C1c1cccc(O)c1 | [N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch1][#C][NH1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][Ring1][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1] |
COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)N(CCCCCCc1cn(CCNc3c4c(nc5cc(Cl)ccc35)CC3C=C(C)CC4C3)nn1)CC2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Branch2][Branch1][=Branch1][C][C][C][C][C][C][C][=C][N][Branch2][Ring2][Branch1][C][C][N][C][=C][C][=Branch1][#C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C][=C][Branch1][C][C][C][C][Ring1][P][C][Ring1][#Branch1][N][=N][Ring2][Ring1][O][C][C][Ring2][Branch1][Ring2] |
CNC[C@@H](O)[C@H](c1cccc(OC)c1)n1ccc2ccccc21 | [C][N][C][C@@H1][Branch1][C][O][C@H1][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][N][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
CC(CC(=O)N=C(N)NCCCc1c[nH]cn1)c1ccccn1 | [C][C][Branch2][Ring1][=Branch1][C][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][C][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC(C)CC(NC(=O)CNC(=O)C(Cc1c[nH]cn1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CSSCC(NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(N)CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)C(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)O)C(C)C | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch2][P][=Branch1][C][S][S][C][C][Branch2][N][Branch2][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
O=C(CCN1CCN(c2ccc(Cl)cc2)CC1)NCc1nc2ccccc2c(=O)n1-c1ccccc1 | [O][=C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(=O)C1=CCCN(C)C1 | [C][C][=Branch1][C][=O][C][=C][C][C][N][Branch1][C][C][C][Ring1][#Branch1] |
CC(C)(C)C(=O)Cn1c[n+](N)cn1 | [C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][N][C][=N+1][Branch1][C][N][C][=N][Ring1][=Branch1] |
COc1ccccc1-c1cc(-c2ccc(Br)cc2)nc(N)c1C#N | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][C][Branch1][C][N][=C][Ring1][=C][C][#N] |
O=S(=O)(O)OC[C@H]1O[C@H](OCCCCCCCCn2cc(-c3cccc4ccccc34)nn2)[C@@H](O[C@H]2O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]3O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]4O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](O[C@H]5O[C@H](COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H](OS(=O)(=O)O)[C@@H]5OS(=O)(=O)O)[C@@H]4OS(=O)(=O)O)[C@@H]3OS(=O)(=O)O)[C@@H]2OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1OS(=O)(=O)O | [O][=S][=Branch1][C][=O][Branch1][C][O][O][C][C@H1][O][C@H1][Branch2][Ring1][P][O][C][C][C][C][C][C][C][C][N][C][=C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][=N][Ring1][#C][C@@H1][Branch2][=N][=N][O][C@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch2][#Branch2][S][O][C@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch2][Branch2][Ring1][O][C@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch2][Branch1][=Branch1][O][C@H1][O][C@H1][Branch1][O][C][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][=Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][Ring2][=N][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][=Branch1][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][#Branch1][O][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C@@H1][Ring2][#Branch2][Ring2][O][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CC(C)CC(=O)C[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3C[C@H](OC4O[C@H](C)[C@@H](O)[C@H](OC5OC[C@@H](OC6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6OC6O[C@H](C)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5OC5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@H]4O)[C@H]4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)C3=CC[C@@]21C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@][Branch1][C][C][Branch1][C][O][C@H1][C][C][C@H1][C@@H1][C][C@H1][Branch2][#Branch1][=C][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch2][=Branch1][#Branch2][O][C][O][C][C@@H1][Branch2][Ring2][#Branch1][O][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C][O][C@H1][Branch1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@H1][Ring2][Ring2][P][O][C@H1][C][C@@H1][Branch1][#Branch2][O][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C@][Ring1][O][Branch1][C][C][C][Ring2][=Branch1][Ring1][=C][C][C@@][Ring2][=Branch1][#Branch1][Ring2][=Branch1][#Branch2][C] |
O=C(Nc1nccs1)c1cc(-c2cccnc2)nc2ccc(Br)cc12 | [O][=C][Branch1][=Branch2][N][C][=N][C][=C][S][Ring1][Branch1][C][=C][C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][P][Ring1][#Branch1] |
COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(OC(=O)c5cccc(CCl)c5)c(c1)Oc1ccc(cc1)C[C@@H]3N(C)CC2)N(C)CC4 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][#Branch2][C@@H1][Branch2][Branch1][=Branch2][C][C][=C][C][=C][Branch2][Ring1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][Ring1][Branch2][C][=Branch1][Ring2][=C][Ring1][P][O][C][=C][C][=C][Branch1][Branch1][C][=C][Ring1][=Branch1][C][C@@H1][Ring2][Ring2][#Branch2][N][Branch1][C][C][C][C][Ring2][Ring2][#C][N][Branch1][C][C][C][C][Ring2][Ring2][=Branch1] |
CCN(CC)CCN(Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1)C(=O)Cn1cc(CCCc2cccc(F)c2F)c(=O)c2ccccc21 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch2][Ring1][#C][C][C][=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][=C][Ring1][S][C][=Branch1][C][=O][C][N][C][=C][Branch1][S][C][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch1] |
CC1(C)CC2(CN(Cc3ccc(NS(C)(=O)=O)cc3)C(=O)O2)c2ccccc2O1 | [C][C][Branch1][C][C][C][C][Branch2][Ring2][C][C][N][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=Branch1][C][=O][O][Ring2][Ring1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring2][Ring1][N] |
CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=Branch1][C][=O][O] |
COc1ccc(C(=O)C(COC(=O)c2ccc(O)cc2)Oc2c(OC)cc(/C=C/COC(=O)c3ccc(O)cc3)cc2OC)c(OC)c1O | [C][O][C][=C][C][=C][Branch2][Branch1][S][C][=Branch1][C][=O][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][Branch1][Ring1][O][C][C][=C][Branch2][Ring1][Ring2][/C][=C][/C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch1][O][C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][=C][O] |
[O-][n+]1onc2cc(/C=C/c3ccccc3)ccc21 | [O-1][N+1][O][N][=C][C][=C][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=Ring1][P] |
COc1cc(-c2nc3ccc(Br)cn3c2NC2CCCC2)ccc1O | [C][O][C][=C][C][Branch2][Ring1][=Branch2][C][N][=C][C][=C][C][Branch1][C][Br][=C][N][Ring1][#Branch1][C][=Ring1][#Branch2][N][C][C][C][C][C][Ring1][Branch1][=C][C][=C][Ring2][Ring1][=Branch1][O] |
CCCCCC[C@H](C)OC(=O)CC(=O)CBr | [C][C][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][Br] |
CC[C@H](C)C(NC(=O)C(CCSC)NC(=O)C(CCSC)NC(C)=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(N)=O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CS)C(N)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch2][=N][#Branch2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][#Branch2][=C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch2][=Branch2][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O] |
CC(C)CC(NC(=O)CNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1c[nH]cn1)NC(=O)CNC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(N)CCC(N)=O)[C@@H](C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O] |
COc1ccc([C@H](N[C@@H]2CCC(C(=O)N3CCC(C(=O)N4CCCC4)(c4ccccc4)CC3)C(C)(C)C2)C(F)(F)F)cc1 | [C][O][C][=C][C][=C][Branch2][=Branch1][Ring2][C@H1][Branch2][Branch1][Branch2][N][C@@H1][C][C][C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][C][Branch1][C][C][Branch1][C][C][C][Ring2][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring2][=Branch2] |
CC1(C)C=Cc2c(ccc3c2OC[C@H]2c4ccc(O)cc4O[C@@H]32)O1 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][O][C][=C][C][=C][Ring1][=Branch1][O][C][C@H1][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C@@H1][Ring1][=C][Ring1][#Branch2][O][Ring2][Ring1][#Branch1] |
CC(C)CC(NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)NC(C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CCCNC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)C(=O)NC(CCCNC(N)=O)C(=O)NC(CO)C(=O)NCC(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(CCCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NCC(=O)N1CCC[C@H]1CC(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(N)=O)C(C)C)[C@@H](C)O)C(C)C)C(C)C)C(C)C)[C@@H](C)O)C(C)C | [C][C][=Branch1][C][=O][N][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch3][Ring1][=Branch2][#Branch2][C][=Branch1][C][=O][N][C][Branch3][Ring1][Branch2][O][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch2][#C][C][C][=Branch1][C][=O][N][C][Branch2][=C][Ring2][C][=Branch1][C][=O][N][C][Branch1][O][C][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=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][=Branch2][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][#Branch1][#C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][=Branch1][Ring1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][Branch1][C][C][C] |
CC1NC(=O)C([C@@H](C)O)NC(=O)C2CCCN2C(=O)CN(C(=O)C2CCCN2C(=O)CCCCNC(=S)Nc2ccc3c(c2)C2(OC3=O)c3ccc(O)cc3Oc3cc(O)ccc32)CCCCC/C=C\CN(CC(N)=O)C(=O)C(CCC(=O)O)NC(=O)C2CCCN2C(=O)C2CCCN2C1=O | [C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][N][Branch2][=Branch1][=Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][C][=Branch1][C][=S][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][=Branch1][O][C][Ring1][=Branch1][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][C][C][C][C][/C][=C][\C][N][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Ring2][Branch2][Ring1][=O] |
NC(=O)CC1NC(=O)C2C[C@@H](O)CN2C(=O)CNC(=O)C(Cc2ccc(O)c([N+](=O)[O-])c2)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C(NC(=O)NC2CCCCC2)CSSCC(C(N)=O)NC1=O | [N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][O][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#C][N][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][S][S][C][C][Branch1][=Branch1][C][Branch1][C][N][=O][N][C][Ring2][Branch1][S][=O] |
Cc1ccc(OC(CCN2CCc3ccccc3C2)c2ccccc2)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=N][O][C][Branch1][P][C][C][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2] |
COc1cc2ncnc(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)c2cc1OCCCN1CCN(C)CC1 | [C][O][C][=C][C][=N][C][=N][C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][Branch1][Ring1][O][C][=C][Ring1][P][=C][Ring2][Ring1][Branch2][C][=C][Ring2][Ring1][N][O][C][C][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1] |
COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(=N)N)n(C)c4)n(C)c3)n(C)c1)N=CC1CCCN1C2=O | [C][O][C][=C][C][=C][Branch2][=Branch1][O][C][=C][Ring1][=Branch1][O][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=N][N][N][Branch1][C][C][C][=Ring1][=C][N][Branch1][C][C][C][=Ring2][Ring1][#Branch1][N][Branch1][C][C][C][=Ring2][Ring1][S][N][=C][C][C][C][C][N][Ring1][Branch1][C][Ring2][Branch1][C][=O] |
CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)ccc3c2)CC1 | [C][C][Branch1][C][C][N][C][C][C][Branch2][Ring1][#C][O][C][=C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][C][Ring2][Ring1][=Branch2] |
CCCCCOC(=O)N1CCN(C(=O)C(CCC(=O)OC(C)(C)C)NC(=O)c2cc(NC(=O)OCC)cc(-c3ccccc3)n2)CC1 | [C][C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch2][C][=Branch1][C][=O][C][Branch1][S][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][C][C][C][Ring2][Ring2][#Branch1] |
O=c1[nH]ccc2c([N+]3=NN(CCCl)CC3)cccc12 | [O][=C][NH1][C][=C][C][=C][Branch1][=N][N+1][=N][N][Branch1][Ring2][C][C][Cl][C][C][Ring1][Branch2][C][=C][C][=C][Ring2][Ring1][C][Ring1][=C] |
COc1cc(OC)cc(-c2cc3occ(C)c3c(=S)o2)c1 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][Ring2][C][=C][C][O][C][=C][Branch1][C][C][C][=Ring1][=Branch1][C][=Branch1][C][=S][O][Ring1][O][=C][Ring2][Ring1][Ring1] |
CN1CCN(Cn2nc(-c3ccncc3)n(N)c2=S)CC1 | [C][N][C][C][N][Branch2][Ring1][#Branch1][C][N][N][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][C][N][C][Ring1][N][=S][C][C][Ring2][Ring1][Ring2] |
N=C(Nc1ccccc1I)NC12CC3CC(CC(C3)C1)C2 | [N][=C][Branch1][O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][I][N][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
O=C1N[C@@H](COC(=O)c2cccc3cnccc23)CN(Cc2ccc(Br)cc2)c2cn(CCc3ccccc3)nc21 | [O][=C][N][C@@H1][Branch2][Ring1][Branch1][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][N][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=C][N][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][Ring2][Ring2][Branch2] |
N#CC1(c2ccccc2)CCN(C[C@@H](O)COc2ccc(Cl)cc2)CC1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][Ring1][C][C@@H1][Branch1][C][O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] |
N=C(N)c1cc2cc(-c3cccc(OCc4cccc(F)c4)c3)ccc2s1 | [N][=C][Branch1][C][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][C][=C][C][Branch1][=C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch1][S][Ring2][Ring1][Branch2] |
COc1ccc2c(c1)c1c(n2C(=O)c2ccccc2)CCN(CCCOc2cc(F)cc(C3(OC)CCOCC3)c2)C1 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=C][Branch1][S][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch2][Ring1][=C][C][C][C][O][C][=C][C][Branch1][C][F][=C][C][Branch1][=N][C][Branch1][Ring1][O][C][C][C][O][C][C][Ring1][Branch2][=C][Ring1][#C][C][Ring2][Ring2][C] |
CC[C@H](C)C(NC(=O)C(CS)NC(=O)CNS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)NC(C(=O)NC(CC(C)C)C(=O)O)[C@@H](C)CC | [C][C][C@H1][Branch1][C][C][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][S][N][C][=Branch1][C][=O][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][C][=C][Ring1][=N][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][C] |
COCC(C)(CS(=O)(=O)O)N(Cl)Cl | [C][O][C][C][Branch1][C][C][Branch1][#Branch2][C][S][=Branch1][C][=O][=Branch1][C][=O][O][N][Branch1][C][Cl][Cl] |
Cc1cc(O)cc(-c2ccc(-c3ccc(O)cc3)s2)c1 | [C][C][=C][C][Branch1][C][O][=C][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][S][Ring1][N][=C][Ring2][Ring1][Ring1] |
COc1c(C)c(OC)c(OC)c2c1C[C@H]1CN(C(=O)OC(C)C)C[C@@H](C#N)N1[C@H]2COC(=O)c1cccc2ccccc12 | [C][O][C][=C][Branch1][C][C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][O][C][C@H1][C][N][Branch1][O][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][C@@H1][Branch1][Ring1][C][#N][N][Ring1][=C][C@H1][Ring2][Ring1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
CCN1C2CCC1CC(c1ccnc3c(-c4ccc(C#N)c(O)c4)c(-c4ccncc4)nn13)C2 | [C][C][N][C][C][C][C][Ring1][Branch1][C][C][Branch2][Ring2][O][C][=C][C][=N][C][=C][Branch1][S][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][O][=C][Ring1][=Branch2][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][N][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][C][Ring2][Ring1][#C] |
O=C(C=Cc1ccc(O)c(O)c1)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1 | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][N][C][C][C][C][C][C][C][C][P+1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
NC(Cc1ccccc1)C(=O)N1CCC(Nc2nsc3ccccc23)C1 | [N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring1][#C] |
CCCC(C)n1ccc2c3c(N)nc(N)nc3ccc21 | [C][C][C][C][Branch1][C][C][N][C][=C][C][=C][C][Branch1][C][N][=N][C][Branch1][C][N][=N][C][Ring1][Branch2][=C][C][=C][Ring1][N][Ring1][#C] |
ClCCN(CCCl)CCCCOc1cccc(Nc2c3ccccc3nc3c(OCCN(CCCl)CCCl)cccc23)c1 | [Cl][C][C][N][Branch1][Ring2][C][C][Cl][C][C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][Branch1][N][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][C][=C][Branch1][=N][O][C][C][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][C][=C][Ring2][Ring1][Branch2][Ring1][S][=C][Ring2][Ring1][#C] |
CC(=O)NC1CSSC(C(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)C([C@@H](C)O)NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2ccccc2)NC1=O | [C][C][=Branch1][C][=O][N][C][C][S][S][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][=Branch1][=Branch2][=O] |
Cc1c(O)c(CCC(C)C(=O)O)c(O)c2c1COC2=O | [C][C][=C][Branch1][C][O][C][Branch1][N][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][=C][Branch1][C][O][C][=C][Ring1][#C][C][O][C][Ring1][Branch1][=O] |
CC[C@@](C)(NC(=O)C(C)(C)NC(=O)C(NC(=O)C1CCCN1C(=O)C(C)(C)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(C)(C)NC(=O)C(NC(=O)C(C)(C)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(C)=O)C(C)C)C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)N[C@H](COC)Cc1ccccc1 | [C][C][C@@][Branch1][C][C][Branch2][=N][S][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][N][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C@H1][Branch1][Ring2][C][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=c1c(-c2cc(F)c(F)c(F)c2)coc2cc(O)ccc12 | [O][=C][C][Branch2][Ring1][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][=C][O][C][=C][C][Branch1][C][O][=C][C][=C][Ring2][Ring1][Ring2][Ring1][#Branch1] |
CC(C)CC(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(C)(NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)C(N)Cc1ccccc1)[C@H](C)O)C(C)C)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)NC(CCC(N)=O)C(N)=O | [C][C][Branch1][C][C][C][C][Branch2][N][Ring2][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][C][C][Branch2][=Branch1][Ring2][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][C][O][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O] |
CCCN1Sc2ccccc2[S+]1[O-] | [C][C][C][N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][S+1][Ring1][=Branch2][O-1] |
N=C(N)c1ccc(CNC(=O)CCN2C(=O)C(NC(=O)CCC(=O)O)CSc3ccccc32)cc1 | [N][=C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][#Branch2][C][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][S] |
CC(=O)OC[C@H]1O[C@@H](O[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S(N)(=O)=O)O[C@@H]2COC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O | [C][C][=Branch1][C][=O][O][C][C@H1][O][C@@H1][Branch2][Ring2][N][O][C@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][O][C@@H1][Ring2][Ring1][C][C][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Ring2][Ring2][=Branch1][O][C][Branch1][C][C][=O] |
CC(=O)NCC(NS(=O)(=O)c1ccccc1)C(=O)O | [C][C][=Branch1][C][=O][N][C][C][Branch1][P][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
CC(C)CC(NC(=O)CNC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)C(C)C)C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=C][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][Branch2][=Branch2][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][N][=C][NH1][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][Branch1][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CC(=O)N1CCCC1C(=O)NC(Cc1c[nH]cn1)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)O | [C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][O] |
C=C1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@@]2(C)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)C12CC3CC(CC(C3)C1)C2 | [C][=C][C][C][C@@H1][C@][Branch1][C][C][C][O][C][Branch1][C][C][Branch1][C][C][O][C@@H1][Ring1][=Branch2][C][C][C@@][Ring1][=N][Branch1][C][C][C@@H1][Ring2][Ring1][C][C][/C][=C][/C][=Branch1][C][=O][O][C][C@H1][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2] |
CC(C)CC(C=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C(CO)NC(=O)OCc1ccccc1 | [C][C][Branch1][C][C][C][C][Branch1][Ring1][C][=O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)N(CCOc1ccccc1N=C(Nc1ccccc1)c1ccccc1)C(C)C | [C][C][Branch1][C][C][N][Branch2][Ring1][P][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][C] |
CN1CCN(Cc2cn3c(-c4ccncc4)c(-c4ccc(F)cc4)nc3s2)CC1 | [C][N][C][C][N][Branch2][Ring2][#Branch1][C][C][=C][N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][=C][Ring2][Ring1][C][S][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N] |
CO[C@H]1C[C@@H](C)CC(C)=CC(CC=C(C)C)C(=O)C[C@H](O)[C@@H](C)[C@@H](/C(C)=C/[C@@H]2CC[C@@H](O)[C@H](OC)C2)OC(=O)C2CCCCN2C(=O)C(=O)[C@]2(O)O[C@H]1[C@@H](OC)C[C@H]2C | [C][O][C@H1][C][C@@H1][Branch1][C][C][C][C][Branch1][C][C][=C][C][Branch1][Branch2][C][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][Branch1][/C][Branch1][C][C][=C][/C@@H1][C][C][C@@H1][Branch1][C][O][C@H1][Branch1][Ring1][O][C][C][Ring1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][C@][Branch1][C][O][O][C@H1][Ring2][Branch1][Ring1][C@@H1][Branch1][Ring1][O][C][C][C@H1][Ring1][=Branch2][C] |