molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
|---|---|
CC=CC=CC(=O)OC1CCCC[C@H](O)[C@H](O)[C@@H](CCC)OC1=O | [C][C][=C][C][=C][C][=Branch1][C][=O][O][C][C][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Branch1][Ring2][C][C][C][O][C][Ring1][#C][=O] |
Cc1ccc(Cl)c(S(=O)(=O)NC(CCC(N)=O)C(N)=O)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][Branch1][C][N][=O][=C][Ring2][Ring1][Ring2] |
COC(=O)C(Cc1ccccc1)NC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)Cc5nccnc5C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 | [C][O][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][=N][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=N][C][C][C@@][Ring1][P][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P] |
Cn1cc(C2=C(c3coc4ccccc34)C(=O)NC2=O)c2ccc(O)cc21 | [C][N][C][=C][Branch2][Ring1][O][C][=C][Branch1][=C][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Ring1][#C][=O][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
CCC1=NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C([C@H](C)CC)NC(=O)C(NC(=O)C(NC(=O)C(CCCN)NC(=O)C2CCCN2C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CC[C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(=O)C(F)(F)F)CC[C@]5(C)[C@H]4CC[C@]23C)C(C)C)[C@@H](C)OC(=O)C(F)(F)F)C(C)C)C(C)C)[C@H](C)CC)[C@H](C)OC(=O)C(C(C)C)NC1=O | [C][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][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C][Branch2][N][Branch1][N][C][=Branch1][C][=O][C][Branch2][O][=Branch1][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Branch2][P][N][C][=Branch1][C][=O][C][Branch2][Branch2][Ring1][N][C][=Branch1][C][=O][C][Branch2][=Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Branch1][O][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C][C@@H1][C][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][C@][Ring1][=N][Branch1][C][C][C@H1][Ring2][Ring1][C][C][C][C@][Ring2][Ring1][=Branch2][Ring2][Ring1][=Branch1][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][C][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][Ring2][#Branch2][Ring2][=O] |
CC[C@@H](C)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)CN(C)CC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(C)C)C(=O)NC(CCC(N)=O)C(=O)O | [C][C][C@@H1][Branch1][C][C][C][Branch2][#Branch2][=C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][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][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][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][=O][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][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
N=C(N)NCCCC(N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O | [N][=C][Branch1][C][N][N][C][C][C][C][Branch1][C][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][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][#Branch2][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][#C][C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][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][O] |
COc1ccccc1C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@H]4[C@@H](CC[C@@H]4[C@@]4(O)C[C@@H](C=C(C)C)OC4=O)[C@]3(C)CC[C@H]2C1(C)C | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C@][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][Branch2][Ring1][=Branch2][C][C][C@@H1][Ring1][Branch1][C@@][Branch1][C][O][C][C@@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][O][C][Ring1][#Branch2][=O][C@][Ring2][Ring1][Ring2][Branch1][C][C][C][C][C@H1][Ring2][Ring1][#Branch2][C][Ring2][Ring1][=C][Branch1][C][C][C] |
CC(C)(C)c1ccc(-c2ccccc2C(=O)Nc2ccc3nc(C(=O)NC(C(=O)N4CCC(F)(F)C4)c4ccccc4)sc3c2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N][C][=C][Ring2][Ring2][O] |
CC[C@H](C)C(NC(=O)C(C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C1CCCN1C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)CN)[C@@H](C)O)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch2][=N][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][C][=C][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][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][=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][C][C][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][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][Branch2][Ring1][=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][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][O] |
CC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)O | [C][C][Branch2][Branch1][#Branch2][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][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][C][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][#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][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O] |
COC1=C(C)C2[C@@H](O)C(OC(=O)c3cccc(Cl)c3)O[C@@H]3C[C@H]4C(C)=CC(OC)C(=O)[C@]4(C)C(C1=O)[C@]23C | [C][O][C][=C][Branch1][C][C][C][C@@H1][Branch1][C][O][C][Branch1][P][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][O][C@@H1][C][C@H1][C][Branch1][C][C][=C][C][Branch1][Ring1][O][C][C][=Branch1][C][=O][C@][Ring1][#Branch2][Branch1][C][C][C][Branch1][=Branch1][C][Ring2][Ring1][P][=O][C@][Ring2][Ring1][S][Ring1][P][C] |
Oc1cc(C2CNCCc3c2cc(O)c(O)c3Cl)ccc1Cl | [O][C][=C][C][Branch2][Ring1][#Branch1][C][C][N][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Cl][=C][C][=C][Ring2][Ring1][Ring2][Cl] |
O=C(O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CS)C1CCc2cc(O)ccc21 | [O][=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][Ring1][C][S][C][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2] |
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](OC(=O)CC(NC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)CCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCNC(=O)C(Cc5ccccc5)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(N)CCC(=O)O)C(C)C)C(C)C)C(N)=O)CC[C@]4(C)[C@H]3CC[C@]12C | [C][C][Branch1][C][C][C][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C][C][C][C][C@@H1][Branch2][#C][=C][O][C][=Branch1][C][=O][C][C][Branch2][=C][#C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][N][C][=Branch1][C][=O][C][C][O][C][C][O][C][C][O][C][C][O][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][#C][N][C][=Branch1][C][=O][C][C@H1][Branch1][C][O][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][P][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C][Branch1][C][N][=O][C][C][C@][Ring2][O][P][Branch1][C][C][C@H1][Ring2][N][=Branch1][C][C][C@][Ring2][N][=N][Ring2][N][#Branch2][C] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O)[C@@](C)(CO)[C@@H]6[C@H](O)C[C@@]5(C)[C@]3(C)CC4)OC[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][#Branch1][Branch2][O][C@H1][C@H1][Branch2][=Branch1][#Branch1][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring1][N][C@H1][Branch1][C][O][C][C@@][Ring1][P][Branch1][C][C][C@][Ring2][Ring1][=Branch1][Branch1][C][C][C][C][Ring2][Ring1][P][O][C][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][O][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Branch1][O] |
CC(=O)OC1=C2C(C)[C@@H](OC(=O)C(O)C(NC(=O)c3ccccc3)c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](OC(=O)/C=C/C[C@@H]4C[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@]5(C)[C@H]4O)[C@@]3(C)C1=O)C2(C)C | [C][C][=Branch1][C][=O][O][C][=C][C][Branch1][C][C][C@@H1][Branch2][Ring2][C][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Branch1][C][O][Branch2][#Branch1][#Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][C@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][O][C@@H1][Ring1][Branch2][C][C@H1][Branch2][Ring2][#Branch2][O][C][=Branch1][C][=O][/C][=C][/C][C@@H1][C][C@H1][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@][Ring1][#C][Branch1][C][C][C@H1][Ring2][Ring1][Ring1][O][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][C][Ring2][=Branch1][#C][=O][C][Ring2][=Branch1][S][Branch1][C][C][C] |
CCCNC(=O)C(N)C(O)c1ccc([N+](=O)[O-])cc1 | [C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][Branch1][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2] |
CC(=O)NCC(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(=O)N(C)C(Cc1ccccc1)C(N)=O | [C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CC/C(=C\Cn1oc(=O)[nH]c1=O)c1cccc(OCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c1 | [C][C][/C][=Branch1][=C][=C][\C][N][O][C][=Branch1][C][=O][NH1][C][Ring1][=Branch1][=O][C][=C][C][=C][C][Branch2][Ring1][S][O][C][C][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][O][C][=Ring1][#C][C][=C][Ring2][Ring1][Branch2] |
Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2c[nH]nc12 | [C][C][=C][C][Branch2][Branch1][#Branch2][C][C][Branch2][Ring1][#C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][S][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][C][Ring1][#Branch2][=O][C][C][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N][=C][C][=C][NH1][N][=C][Ring2][Ring2][=N][Ring1][Branch1] |
CSCCC(NC(=O)C(CCSC)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)C(N)C(C)C)[C@@H](C)O)C(=O)NCC(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CO)C(=O)N1CCCC1C(=O)NC(C(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C | [C][S][C][C][C][Branch2][#Branch1][P][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring2][=C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=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][C][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][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][C][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1 | [C][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][C][Ring2][Ring1][=Branch1] |
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)C(OC(=O)CCc3ccccc3)=C3C(C)[C@@H](OC(=O)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C | [C][C][=Branch1][C][=O][O][C@@][C][O][C@@H1][Ring1][Ring2][C][C@H1][Branch1][C][O][C@@][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][S][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][C][C][C@@H1][Branch2][Ring1][P][O][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@][Branch1][C][O][Branch2][Ring1][Branch2][C@@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring2][Branch1][O][Ring2][Branch1][Ring2][C][Ring2][Ring2][Branch1][Branch1][C][C][C] |
CCCCCCCCC[C@H](CCCCCCCC(C)=O)O[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1O[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@@H](OCCCC)[C@H](OC(=O)CCC)[C@H]1O[C@@H]1O[C@@H](C)[C@H](OC(C)=O)[C@@H](OCCCC)[C@@H]1OC(C)=O | [C][C][C][C][C][C][C][C][C][C@H1][Branch1][=N][C][C][C][C][C][C][C][C][Branch1][C][C][=O][O][C@@H1][O][C@H1][Branch1][Branch2][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][Ring1][Ring1][O][C@@H1][O][C@H1][Branch2][Ring2][Ring2][C][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring1][#C][O][C][Branch1][C][C][=O][C@@H1][Branch1][=Branch1][O][C][C][C][C][C@H1][Branch1][=Branch2][O][C][=Branch1][C][=O][C][C][C][C@H1][Ring2][Ring2][=Branch1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Branch1][=Branch1][O][C][C][C][C][C@@H1][Ring1][S][O][C][Branch1][C][C][=O] |
Cc1ccc[n+](CCC#Cc2ccc(C#CCC[n+]3cccc(C)c3)cc2)c1 | [C][C][=C][C][=C][N+1][Branch2][Ring1][=C][C][C][C][#C][C][=C][C][=C][Branch1][S][C][#C][C][C][N+1][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][=C][Ring1][P][=C][Ring2][Ring1][O] |
CC(C)CC(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)C(N)CCCNC(=N)N)C(=O)NC1CSSCC(C(=O)NC(C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O)C(C)C)NC(=O)C(C(C)C)NC(=O)C2CSSCC(NC(=O)C(Cc3ccc(O)cc3)NC1=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(Cc1ccccc1)C(=O)N2 | [C][C][Branch1][C][C][C][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][S][S][C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][Branch2][Ring1][=N][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][O][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][S][S][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][N][C][Ring2][Branch1][=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][#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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][Ring2][=Branch1][Ring2] |
CS/C=C(/C)n1c(C(=O)c2ccc(Br)cc2)noc1=O | [C][S][/C][=C][Branch1][C][/C][N][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=N][O][C][Ring1][=C][=O] |
Cc1cc(C)cc(CC(=O)NC(CC(N)=O)C(=O)NCC2C(=O)NC(c3ccc(O)cc3)C(=O)NC(CCCN)C(=O)NC(C(C)C)C(=O)NC(c3ccc(O)cc3)C(=O)NC(c3ccc(O)cc3)C(=O)NC([C@@H](C)O)C(=O)NC(Cc3ccccc3)C(=O)NC(CCCN)C(=O)NC(c3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)cc3)C(=O)NC([C@@H](C)O)C(=O)NC(c3ccc(O)cc3)C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(c3ccc(O)c(Cl)c3)C(=O)OC2C(N)=O)c1 | [C][C][=C][C][Branch1][C][C][=C][C][Branch3][Ring1][Ring2][S][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C@@H1][Branch1][C][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][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][Branch1][Ring2][C][=C][C][=C][Branch2][Ring2][Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][=N][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][Ring2][O][#C][C][Branch1][C][N][=O][=C][Ring2][=N][=Branch1] |
C=C1/C(=C\C=C2/CCC[C@]3(C)[C@@H]([C@H](C)C[C@H]4C[C@@](C)(O)C(=O)N4CCCc4cc(OC)cc(OC)c4)CC[C@@H]23)C[C@@H](O)C[C@@H]1O | [C][=C][/C][=Branch2][Branch1][S][=C][\C][=C][/C][C][C][C@][Branch1][C][C][C@@H1][Branch2][Ring2][=Branch2][C@H1][Branch1][C][C][C][C@H1][C][C@@][Branch1][C][C][Branch1][C][O][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][C][C@@H1][Ring2][Ring2][C][Ring2][Ring1][=C][C][C@@H1][Branch1][C][O][C][C@@H1][Ring2][Ring2][O][O] |
CC[C@H](C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCN)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CC(N)=O)NC(=O)C(CO)NC(C)=O)C(=O)NC(Cc1ccccc1)C(=O)NC(CC(=O)O)C(N)=O | [C][C][C@H1][Branch1][C][C][C][Branch2][=Branch2][#C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][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][=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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][Branch1][C][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][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][Branch1][C][N][=O] |
C=CCNC(=O)C(=O)C(CCC)NC(=O)C1C2[C@H](CN1C(=O)C(NC(=O)N[C@H](CN1Cc3sccc3S1(=O)=O)C(C)(C)C)C(C)(C)C)C2(C)C | [C][=C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][C][N][C][=Branch1][C][=O][C][C][C@H1][Branch2][Branch1][Branch2][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][C][C][N][C][C][S][C][=C][C][=Ring1][Branch1][S][Ring1][Branch2][=Branch1][C][=O][=O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][S][Branch1][C][C][C] |
COC(=O)C1=C(C)N=C(C)C(C(=O)OC)C1c1c(-c2cc(OC)ccc2OC)nc2sccn12 | [C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][N][C][=C][Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][N][=C][S][C][=C][N][Ring2][Ring1][C][Ring1][Branch1] |
Cc1cn([C@@H]2O[C@@]3(COP(O)(=S)O[C@H]4[C@H]5OC[C@]4(COP(O)(=S)O[C@H]4C[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cnc7c6N=CNC7N)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cnc7c(N)ncnc76)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cc(C)c(=O)[nH]c6=O)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6cnc7c(=O)[nH]c(N)nc76)O[C@@H]4COP(O)(=S)O[C@H]4[C@@H](O)[C@H](n6ccc(N)nc6=O)O[C@@H]4COP(O)(=S)O[C@H]4[C@H]6OC[C@]4(COP(O)(=S)O[C@H]4[C@H]7OC[C@]4(CO)O[C@H]7n4cc(C)c(=O)[nH]c4=O)O[C@H]6n4cc(C)c(N)nc4=O)O[C@H]5n4cc(C)c(=O)[nH]c4=O)CO[C@@H]2[C@@H]3O)c(=O)nc1N | [C][C][=C][N][Branch3][Ring2][C][Ring2][C@@H1][O][C@@][Branch3][Ring1][S][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@][Ring1][Branch1][Branch3][Ring1][=C][=Branch1][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][#C][N][C][=N][C][=C][Ring1][Branch1][N][=C][N][C][Ring1][=Branch1][N][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][P][N][C][=N][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][#Branch2][O][C@@H1][Ring1][S][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][S][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@@H1][Ring1][#C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Ring1][Ring2][N][C][=N][C][C][=Branch1][C][=O][NH1][C][Branch1][C][N][=N][C][=Ring1][Branch2][Ring1][O][O][C@@H1][Ring1][P][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@@H1][Branch1][C][O][C@H1][Branch1][=N][N][C][=C][C][Branch1][C][N][=N][C][Ring1][#Branch1][=O][O][C@@H1][Ring1][=C][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@][Ring1][Branch1][Branch2][Ring2][=Branch2][C][O][P][Branch1][C][O][=Branch1][C][=S][O][C@H1][C@H1][O][C][C@][Ring1][Branch1][Branch1][Ring1][C][O][O][C@H1][Ring1][Branch2][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][O][C@H1][Ring2][Ring1][=C][N][C][=C][Branch1][C][C][C][Branch1][C][N][=N][C][Ring1][Branch2][=O][O][C@H1][Ring3][Ring1][C][#Branch2][N][C][=C][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O][C][O][C@@H1][Ring3][Ring1][Ring1][S][C@@H1][Ring3][Ring1][Ring1][#C][O][C][=Branch1][C][=O][N][=C][Ring3][Ring1][Ring2][=Branch2][N] |
COc1cc2c(cc1OCCCSc1nnc3n1S(=O)(=O)c1ccccc1N3c1ccccc1)N=CC1CCCN1C2=O | [C][O][C][=C][C][=C][Branch2][Ring2][O][C][=C][Ring1][=Branch1][O][C][C][C][S][C][=N][N][=C][N][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][C][C][C][C][N][Ring1][Branch1][C][Ring2][Ring2][=Branch1][=O] |
CC(=O)NC(C(=O)N1CCSCC1)[C@H]1CC(C(=O)O)C[C@@H]1N=C(N)N | [C][C][=Branch1][C][=O][N][C][Branch1][=N][C][=Branch1][C][=O][N][C][C][S][C][C][Ring1][=Branch1][C@H1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C@@H1][Ring1][Branch2][N][=C][Branch1][C][N][N] |
O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12 | [O][=C][C][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring2][=Branch2][C@@H1][O][C@H1][Branch2][Ring1][=Branch1][C][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][Branch1][O][C][Branch1][C][O][=C][Ring2][Ring2][#Branch2][Ring2][Ring1][=C] |
O=c1oc(-c2ccccc2F)cc2c1sc1ccccc12 | [O][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=C][C][=C][Ring1][=N][S][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
C=CC[C@@H](OC(=O)C=C)c1ccc(C)c2ccccc12 | [C][=C][C][C@@H1][Branch1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1] |
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(CCCN)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(CCC(=O)O)C(=O)NC(CC(N)=O)C(=O)NCC(=O)N1CCCC1C(=O)O | [C][C][Branch1][C][C][C][C][Branch2][=Branch2][S][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][#C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][C][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][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][Branch2][C][C][C][=Branch1][C][=O][O][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] |
CN(C)CCOc1cc(NC(=O)Nc2cccc([N+](=O)[O-])c2)ccc1I | [C][N][Branch1][C][C][C][C][O][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][I] |
CC=C(C)C(O)C(=O)O[C@@H]1C[C@H](C(C)(C)O)[C@](C)(CCC(=O)OC)[C@H]2CC[C@]3(C)C(=CC[C@H]3[C@H]3CO[C@H](C=C(C)C)C3)[C@@]21C | [C][C][=C][Branch1][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O][C@@H1][C][C@H1][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][O][C@][Branch1][C][C][Branch1][=Branch2][C][C][C][=Branch1][C][=O][O][C][C@H1][C][C][C@][Branch1][C][C][C][=Branch2][Ring1][Branch1][=C][C][C@H1][Ring1][=Branch1][C@H1][C][O][C@H1][Branch1][#Branch1][C][=C][Branch1][C][C][C][C][Ring1][=Branch2][C@@][Ring2][Ring1][Ring1][Ring2][Ring2][C][C] |
C[C@@H](O)C(N)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)NCC(=O)O | [C][C@@H1][Branch1][C][O][C][Branch1][C][N][C][=Branch1][C][=O][N][C][C][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][#Branch2][C][C][=C][C][=C][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][#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][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O] |
COc1cc(/C=C/C(=O)O[C@@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O[C@@H]6OC[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H]4O)[C@@H](O)[C@H]3O)[C@H](OC(=O)[C@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)C[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)[C@@](C)(C(=O)O)[C@@H]6CC[C@@]5(C)[C@]3(CO)CC4)O[C@@H]2C)cc(OC)c1OC | [C][O][C][=C][C][Branch2][=N][P][/C][=C][/C][=Branch1][C][=O][O][C@@H1][C@H1][Branch1][C][O][C@@H1][Branch2][=Branch1][#Branch2][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Branch1][=Branch1][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch2][Ring2][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][P][O][C@@H1][O][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][Ring1][O][C@H1][Ring2][Ring1][N][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][=Branch1][O][C@H1][Branch2][#Branch1][=C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Ring2][Ring1][Branch2][C][C][C@@][Ring2][Ring1][N][Branch1][C][C][C@][Ring2][Ring1][P][Branch1][Ring1][C][O][C][C][Ring2][Ring2][=N][O][C@@H1][Ring2][#Branch1][#C][C][=C][C][Branch1][Ring1][O][C][=C][Ring2][Branch2][=N][O][C] |
CNC(=O)N=C(N)NCCCC1NC(=O)C(CC(C)C)NC(=O)CC(C(=O)O)NC(=O)CC(C(=O)O)NC(=O)C(Cc2ccccc2)N(C)C1=O | [C][N][C][=Branch1][C][=O][N][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][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][Branch1][C][C][C][Ring2][Ring2][#Branch1][=O] |
CSCCC(NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCC(N)=O)NC(=O)C(C)NC(=O)C(C)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCN=C(N)N)NC(=O)C(N)CC(N)=O)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CC(C)C)C(=O)O | [C][S][C][C][C][Branch2][#C][Ring1][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][N][=C][Branch1][C][N][N][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][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][C][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][Branch1][C][N][N][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][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][C][N][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][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][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][Ring1][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][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
N#Cc1c(-c2ccccc2[N+](=O)[O-])[nH]c(N)nc1=O | [N][#C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][NH1][C][Branch1][C][N][=N][C][Ring1][S][=O] |
CC(=O)NC1Cc2c([nH]c3ccccc23)CN(C(CCCCN)C(=O)NCc2ccccc2)C1=O | [C][C][=Branch1][C][=O][N][C][C][C][=C][Branch1][N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][N][Branch2][Ring1][#Branch1][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][=C][=O] |
CC(C)CC(NC(=O)C(N)CCCCN)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)O | [C][C][Branch1][C][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][C][C][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][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][Branch1][=Branch1][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][C][C][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][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][O] |
CC[C@H](C)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCC(=O)O)NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CCC(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(NC(=O)C(N)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)CC)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)O | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][Branch1][Ring1][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][P][=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][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][#C][Ring2][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch2][O][Ring2][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][=Branch1][C][=O][O][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][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][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][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][Branch2][C][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][Branch2][C][C][C][Branch1][C][N][=O][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][=Branch1][C][=O][O][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][=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][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][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][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CC(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)[C@@H](C)O)C(=O)O | [C][C][Branch1][C][C][C@H1][Branch2][#Branch2][C][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][O] |
CO[C@@H]1[C@H](O[C@@H]2CO[C@@H](O[C@@H]3[C@@H](O)[C@H](O)CO[C@H]3n3c(O)c(C(=O)C=C/C=C/C=C/C=C/C=C(Cl)/C=C(\C)Cl)c(O)c3CC(N)=O)[C@@H](O)[C@@H]2O)O[C@H](C)[C@H]1O | [C][O][C@@H1][C@H1][Branch2][=Branch1][#C][O][C@@H1][C][O][C@@H1][Branch2][Branch1][=C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C][O][C@H1][Ring1][Branch2][N][C][Branch1][C][O][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=C][/C][=C][/C][=C][/C][=C][/C][=C][Branch1][C][Cl][/C][=C][Branch1][C][\C][Cl][C][Branch1][C][O][=C][Ring2][Ring1][Branch2][C][C][Branch1][C][N][=O][C@@H1][Branch1][C][O][C@@H1][Ring2][Ring2][N][O][O][C@H1][Branch1][C][C][C@H1][Ring2][Branch1][Ring2][O] |
CC(NC(=O)C(C)NC(=O)C1CCCN1C(=O)C(N)[C@@H](C)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CCCNC(=N)N)C(=O)N(C)CC(=O)O | [C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][N][C@@H1][Branch1][C][C][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][#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][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][O] |
CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2CO[C@@H](O[C@@H]3CO[C@@H](OCC[C@@H](/C=C/[C@@H](C)[C@H]4[C@@H](O)[C@@H](O)[C@]5(C)[C@]4(C)CC[C@@H]4[C@@]6(C)CC[C@H](O)[C@H](O)[C@@H]6[C@@H](O)C[C@]45O)C(C)C)[C@H](O)[C@H]3O)[C@H](O)[C@H]2OC)OC[C@H]1O | [C][O][C@@H1][C@@H1][Branch1][C][O][C@H1][Branch2][Branch2][=Branch2][O][C@@H1][C][O][C@@H1][Branch2][#Branch1][#Branch1][O][C@@H1][C][O][C@@H1][Branch2][=Branch1][=Branch1][O][C][C][C@@H1][Branch2][Branch1][#Branch2][/C][=C][/C@@H1][Branch1][C][C][C@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@][Branch1][C][C][C@][Ring1][Branch2][Branch1][C][C][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@@H1][Ring1][=Branch2][C@@H1][Branch1][C][O][C][C@][Ring1][=C][Ring2][Ring1][Ring2][O][C][Branch1][C][C][C][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][N][O][C@H1][Branch1][C][O][C@H1][Ring2][Branch1][Branch1][O][C][O][C][C@H1][Ring2][Branch1][#C][O] |
COc1cnc(-c2ccc(O)c(O)c2)o1 | [C][O][C][=C][N][=C][Branch1][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][O][Ring1][=N] |
CC[C@H](C)[C@@H](CO)NS(=O)(=O)c1ccc(C(F)(F)F)cc1 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][C][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
CC[N+]1([O-])C[C@]2(COC)CC[C@H](OC)[C@]34C1[C@H]([C@H](OC)[C@H]23)[C@@]1(OC(C)=O)C[C@H](OC)[C@@]2(OC(C)=O)C[C@@H]4[C@@H]1[C@H]2OC(=O)c1ccccc1 | [C][C][N+1][Branch1][C][O-1][C][C@][Branch1][Ring2][C][O][C][C][C][C@H1][Branch1][Ring1][O][C][C@][C][Ring1][=C][C@H1][Branch1][O][C@H1][Branch1][Ring1][O][C][C@H1][Ring1][S][Ring1][#Branch1][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@H1][Branch1][Ring1][O][C][C@@][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][Ring2][Ring1][#Branch1][C@@H1][Ring1][P][C@H1][Ring1][=Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCNc1cccnc1N1CCN(C(=O)c2cnc3ccccc3c2)CC1 | [C][C][N][C][=C][C][=C][N][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][Ring2][Ring1][C] |
CO/C(C)=C1/NC(=O)C([C@@H](C)O)NC(=O)c2csc(n2)-c2cc(O)c(-c3nc(C(=O)NCCNCC(O)CO)cs3)nc2-c2csc(n2)[C@@H]2COC(=O)c3c4c5c(cccc5n3O)COC(=O)C(O[C@H]3C[C@](C)(O)[C@H](N(C)C)[C@H](C)O3)[C@@H](OC4)[C@H](NC(=O)c3csc1n3)c1nc(cs1)C(=O)N2 | [C][O][/C][Branch1][C][C][=C][/N][C][=Branch1][C][=O][C][Branch1][=Branch1][C@@H1][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][=N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][N][C][C][Branch1][C][O][C][O][=C][S][Ring1][S][N][=C][Ring2][Ring1][#Branch1][C][=C][S][C][=Branch1][Ring2][=N][Ring1][Branch1][C@@H1][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=Branch2][O][C][O][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][O][C@H1][C][C@][Branch1][C][C][Branch1][C][O][C@H1][Branch1][=Branch1][N][Branch1][C][C][C][C@H1][Branch1][C][C][O][Ring1][N][C@@H1][Branch1][=Branch1][O][C][Ring2][Ring1][=C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][S][C][Ring2][#Branch1][Branch2][=N][Ring1][Branch1][C][=N][C][=Branch1][Branch1][=C][S][Ring1][Branch1][C][=Branch1][C][=O][N][Ring2][Branch1][Branch1] |
O=c1ccc2ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2o1 | [O][=C][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][=C][Ring2][Ring1][C][O][Ring2][Ring1][=Branch1] |
C=C(COCC)[C@@H]1CC[C@]2(C(=O)NC(CC(C)C)C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 | [C][=C][Branch1][Branch1][C][O][C][C][C@@H1][C][C][C@][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][C][C@][Branch1][C][C][C@H1][Branch2][Ring1][P][C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch1][C][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][#Branch2][C][C][C@][Ring1][=C][Ring2][Ring1][Ring1][C][C@@H1][Ring2][Ring2][=Branch1][Ring2][Ring2][Ring1] |
CC(C)(C)c1ccc(C(=O)NC(=O)Nc2cccc(C3CN4CCSC4=N3)c2)cc1 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][C][N][C][C][S][C][Ring1][Branch1][=N][Ring1][Branch2][=C][Ring1][=C][C][=C][Ring2][Ring1][#Branch2] |
Fc1ccc(-c2nn3cc(Cl)ccc3c2-c2ccncc2)cc1 | [F][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][N][C][=C][Branch1][C][Cl][C][=C][C][Ring1][#Branch1][=C][Ring1][#Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CN1C(=O)C(N)CCCC/C=C/CC(C(=O)NCc2ccccc2)NC(=O)C1Cc1ccc(O)cc1 | [C][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][C][/C][=C][/C][C][Branch1][#C][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Ring2][Ring1][O][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1] |
O=C(OCCCN1CCCCC1)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O | [O][=C][Branch1][=N][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][Branch1][C][O][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][Ring1][=N][=O] |
COc1ccccc1N1CCN(CC(O)c2ccc(O)c(C(N)=O)c2)CC1 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][C][Branch1][C][O][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring1] |
CCCC(C)(C)C(=O)NC1CCCCNC1=O | [C][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][N][C][Ring1][#Branch1][=O] |
C[C@@H]1O[C@@H](O[C@H]2[C@H](OC(=O)[C@]34C[C@H](OC(=O)c5ccccc5O)C(C)(C)C[C@H]3C3=CC[C@@H]5[C@@]6(C)CC[C@H](O[C@@H]7O[C@H](CO[C@@H]8O[C@H](C)[C@H](O)[C@H](O)[C@H]8O[C@@H]8OC[C@@H](O)[C@H](O)[C@H]8O)[C@@H](O)[C@H](O)[C@H]7O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@@H]6CC[C@@]5(C)[C@]3(C)C[C@H]4O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O | [C][C@@H1][O][C@@H1][Branch2][=N][Ring1][O][C@H1][C@H1][Branch2][O][=C][O][C][=Branch1][C][=O][C@][C][C@H1][Branch1][#C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring2][Ring1][C][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][O][O][C@@H1][O][C@H1][Branch2][Ring2][Ring2][C][O][C@@H1][O][C@H1][Branch1][C][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][=Branch2][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring1][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring2][Branch1][Ring1][C][C][C@@][Ring2][Branch1][#Branch1][Branch1][C][C][C@][Ring2][Branch1][N][Branch1][C][C][C][C@H1][Ring2][=Branch1][P][O][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@@H1][Ring2][#Branch1][=C][O][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@H1][Ring2][=Branch2][Ring1][O][C@@H1][O][C@@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O] |
CC[C@H](C)C(NC(=O)C1CCC(=O)NCCCCC(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(NC(=O)C(Cc2ccccc2)NC(=O)C(NC(=O)CNC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(N)Cc2c[nH]cn2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)N1)C(=O)NC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCCNC(=N)N)C(N)=O)C(C)C | [C][C][C@H1][Branch1][C][C][C][Branch3][Ring1][C][#Branch2][N][C][=Branch1][C][=O][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Branch2][=C][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][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][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch2][Branch1][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][Branch2][=Branch1][#C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][S][N][C][=Branch1][C][=O][C][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][=C][NH1][C][=N][Ring1][Branch1][C@@H1][Branch1][C][C][O][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][C][C][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][Ring2][O][=Branch2][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][#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][C][C][C][=Branch1][C][=O][N][C][Branch2][Ring2][#Branch2][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][Branch1][#Branch2][C][C][C][N][C][=Branch1][C][=N][N][C][Branch1][C][N][=O][C][Branch1][C][C][C] |
N=C(N)NCCCC1NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C2CCCN2C1=O | [N][=C][Branch1][C][N][N][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][Branch1][=Branch1][C][C][C][C][N][N][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][Ring2][Ring2][Branch1][=O] |
C#CCC[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)CCC#C | [C][#C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][N+1][Branch1][C][C][Branch1][C][C][C][C][C][#C] |
CC[C@H](C)C(N)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CCCCN)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CO)C(=O)NC(C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(=O)NC(C(=O)O)[C@@H](C)O)[C@@H](C)CC)C(C)C)[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][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch2][O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][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][Branch2][C][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][=Branch1][=C][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][O][C][=Branch1][C][=O][N][C][Branch2][Branch1][Branch1][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][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C] |
COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC(C)=O)C[C@@H]4C[C@H](NCCNc5ccnc6cc(Cl)ccc56)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C | [C][O][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@H1][C][C][C@H1][C@@H1][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][C@@H1][C][C@H1][Branch2][Ring1][=Branch1][N][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1][C][C][C@][Ring2][Ring1][Branch1][Branch1][C][C][C@H1][Ring2][Ring1][=C][C][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Ring2][Ring2][=Branch2][Ring2][Ring2][=Branch1][C] |
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN1CCOCC1)CC2 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][=C][Ring1][=Branch1][N][C][=N][C][Branch2][Ring1][C][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Branch1][C][N][=O][=C][C][=C][NH1][C][Ring1][Branch1][=N][Ring2][Ring1][Ring2][N][Branch1][=C][C][=Branch1][C][=O][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][Ring2][Ring2][Branch1] |
CN(C)CC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)NCCn3nc4c5c(cccc53)C(=O)c3c(Cl)cccc3-4)n(C)c2)n1C | [C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][N][N][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][S][N][Branch1][C][C][C][=Ring2][Ring1][=N][N][Ring2][Ring2][Branch1][C] |
COc1cc(C(=O)N=Nc2c(O)[nH]c3c(Cl)cc(Cl)cc23)cc(OC)c1OC | [C][O][C][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][=N][C][=C][Branch1][C][O][NH1][C][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][Ring1][N][Ring1][Branch2][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Branch2][O][C] |
CSCCC(NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CO)C(C)C)C(C)C)[C@@H](C)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(C(=O)NC(CO)C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O)[C@@H](C)O | [C][S][C][C][C][Branch2][=Branch2][C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][#Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Branch1][N][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][C][N][C][O][C][Branch1][C][C][C][C][Branch1][C][C][C][C@@H1][Branch1][C][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][#Branch1][P][C][=Branch1][C][=O][N][C][Branch1][Ring1][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][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][Ring1][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][O] |
C#CCN(Cc1ccc2[nH]c(C)nc(=O)c2c1)c1ccc(C(=O)NC(C(=O)O)C(C)C)cc1 | [C][#C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=C][NH1][C][Branch1][C][C][=N][C][=Branch1][C][=O][C][Ring1][Branch2][=C][Ring1][N][C][=C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C][=C][Ring1][S] |
NCCCCC(NC(=O)C1C[C@@H](OCC2CCCCC2)CN1C(=O)C(CCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)c1nc2ccccc2o1 | [N][C][C][C][C][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][C@@H1][Branch1][O][O][C][C][C][C][C][C][C][Ring1][=Branch1][C][N][Ring1][=N][C][=Branch1][C][=O][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CC(C)CN(Cc1csc(C(C)C)n1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1cncs1 | [C][C][Branch1][C][C][C][N][Branch1][S][C][C][=C][S][C][Branch1][=Branch1][C][Branch1][C][C][C][=N][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][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][C][=C][N][=C][S][Ring1][Branch1] |
CCC(=O)C1C[C@@H](C)[C@]2(CC(=O)[C@@]3(C)C4=C(CC[C@@]32C)[C@@]2(C)CC[C@H](O[C@@H]3O[C@H](CO[C@@H]5OC[C@H](O)[C@H](O)[C@H]5O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O[C@@H]5OC[C@](O)(CO)[C@H]5O)[C@@H](O)[C@H](O)[C@H]3O)[C@](C)(CO)[C@@H]2CC4)O1 | [C][C][C][=Branch1][C][=O][C][C][C@@H1][Branch1][C][C][C@][Branch2][=Branch2][Branch2][C][C][=Branch1][C][=O][C@@][Branch1][C][C][C][=C][Branch1][=Branch2][C][C][C@@][Ring1][#Branch1][Ring1][O][C][C@@][Branch1][C][C][C][C][C@H1][Branch2][=Branch1][Branch2][O][C@@H1][O][C@H1][Branch2][Branch1][Ring2][C][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][O][C][C@][Branch1][C][O][Branch1][Ring1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring2][Ring2][#Branch1][O][C@][Branch1][C][C][Branch1][Ring1][C][O][C@@H1][Ring2][Branch1][Ring1][C][C][Ring2][Branch1][O][O][Ring2][=Branch1][=Branch1] |
Cc1ccc(/C=C2\CN(C)C[C@@]3(C2=O)[C@@H](c2ccc(C)cc2)[C@H](c2ccccc2)N[C@@]32C(=O)Nc3ccccc32)cc1 | [C][C][=C][C][=C][Branch2][Branch1][=N][/C][=C][\C][N][Branch1][C][C][C][C@@][Branch1][Branch1][C][Ring1][#Branch1][=O][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C@@][Ring2][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][Ring2][Ring2][=Branch2] |
CC(=O)O[C@@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](OC(=O)[C@]23CCC(C)(C)C[C@H]2C2=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6OC(C(=O)O)[C@@H](O)[C@H](O)[C@H]6O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@@](C)(C=O)C5=CC[C@@]4(C)[C@]2(C)C[C@H]3O)O[C@@H]1C | [C][C][=Branch1][C][=O][O][C@@H1][C@H1][Branch2][Ring1][Branch1][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@H1][Branch2][=Branch1][Ring1][O][C@@H1][O][C@@H1][Branch1][C][C][C@H1][Branch2][Ring2][#C][O][C@@H1][O][C][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][O][C][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][Branch2][O][C@@H1][Branch1][C][O][C@H1][Ring2][Ring2][Ring2][O][C@H1][Branch2][Branch2][=C][O][C][=Branch1][C][=O][C@][C][C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Ring1][Branch2][C][=C][C][C@@H1][C@@][Branch1][C][C][C][C][C@H1][Branch2][Ring2][O][O][C@@H1][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][O][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O][C@@][Branch1][C][C][Branch1][Ring1][C][=O][C][Ring2][Ring2][C][=C][C][C@@][Ring2][Ring2][=Branch1][Branch1][C][C][C@][Ring2][Ring2][O][Branch1][C][C][C][C@H1][Ring2][Branch1][=Branch1][O][O][C@@H1][Ring2][=Branch2][C][C] |
COc1cc(-n2cc(C(C)=O)c3ccccc32)ccc1C(N)=O | [C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N][=C][C][=C][Ring2][Ring1][C][C][Branch1][C][N][=O] |
CC(=O)OC[C@]12[C@H](OC(C)=O)[C@H](OC(=O)c3cccnc3)[C@@H]3[C@@H](OC(C)=O)[C@@]14O[C@@]3(C)COC(=O)c1cccnc1C(C)C(C)C(=O)O[C@@H]([C@H](OC(C)=O)[C@@H]2OC(C)=O)[C@]4(C)O | [C][C][=Branch1][C][=O][O][C][C@][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C@@H1][C@@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@][Ring2][Ring1][#Branch1][O][C@@][Ring1][=Branch2][Branch1][C][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C@@H1][Branch2][Ring1][Ring2][C@H1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@@H1][Ring2][Branch1][C][O][C][Branch1][C][C][=O][C@][Ring2][Ring1][P][Branch1][C][C][O] |
N#CC1(c2ccccc2)CCN(CCCc2ccccc2)CC1 | [N][#C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
CC(C)CC(=O)C[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4[C@](C)(COS(=O)(=O)O)[C@@H](OS(=O)(=O)O)CC[C@@]45C[C@@]35CC[C@]12C | [C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][C@@H1][Branch1][C][C][C@H1][C][C][C@@][Branch1][C][C][C@@H1][C][C][C@H1][C@][Branch1][C][C][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][C][C@@][Ring2][Ring1][C][C][C@@][Ring2][Ring1][#Branch1][Ring1][Ring1][C][C][C@][Ring2][Ring1][#C][Ring2][Ring1][N][C] |
CC(C)CC(C(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(CS)C(=O)O)N(C)C(=O)CN(C)C(=O)CNC(=O)C(Cc1ccccc1)NC(=O)C(Cc1cscn1)NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(N)CCCN=C(N)N)C(C)(C)S)[C@@H](C)O | [C][C][Branch1][C][C][C][C][Branch2][Ring2][#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][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][Ring1][C][S][C][=Branch1][C][=O][O][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Branch1][C][C][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][S][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][Branch2][Branch1][Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][C][C][C][N][=C][Branch1][C][N][N][C][Branch1][C][C][Branch1][C][C][S][C@@H1][Branch1][C][C][O] |
CC(=O)N[C@H]1[C@@H](OC(C)C(N)C(=O)NC(C(=O)N2CCCC2C(=O)NCCCCCCCCCCCC(=O)O)C(C)C)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | [C][C][=Branch1][C][=O][N][C@H1][C@@H1][Branch2][Branch1][Branch2][O][C][Branch1][C][C][C][Branch1][C][N][C][=Branch1][C][=O][N][C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@@H1][Ring2][Ring2][=N][O][C@@H1][O][C@H1][Branch1][Ring1][C][O][C@H1][Branch1][C][O][C@H1][Branch1][C][O][C@H1][Ring1][#Branch2][O] |
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(-c5cccc(C(F)(F)F)c5)no4)CC3)c2[N+](=O)[O-])cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][O][N][C][=N][C][=N][C][Branch2][Ring2][=Branch2][N][C][C][C][Branch2][Ring1][=N][C][=N][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][=N][O][Ring1][#C][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring2][Branch1] |
CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(COCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][S][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][Branch1][N][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(C(=O)C[n+]2c(C)n(Cc3c4c(cc5c3OCC5)OCC4)c3ccccc32)cc1 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C][=Branch1][C][=O][C][N+1][=C][Branch1][C][C][N][Branch2][Ring1][=Branch1][C][C][=C][C][=Branch1][O][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][Branch1][O][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S] |
COc1ccc2nccc([C@@H](O)CN3CCC(NCc4nc5c(cc4Cl)SCC(=O)N5)C(F)C3)c2c1 | [C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring2][O][C@@H1][Branch1][C][O][C][N][C][C][C][Branch2][Ring1][#Branch1][N][C][C][=N][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][S][C][C][=Branch1][C][=O][N][Ring1][#Branch2][C][Branch1][C][F][C][Ring2][Ring1][Branch1][C][Ring2][Ring1][=C][=C][Ring2][Ring2][C] |
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NC(CCC(=O)NC(CCc2nn[nH]n2)C(=O)O)C(=O)O)c(F)c1 | [C][#C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][C][=Branch1][C][=O][NH1][C][Branch1][C][C][=N][C][=Ring1][Branch2][C][=C][Ring1][N][C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring1][=Branch2][C][C][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=N][NH1][N][=Ring1][Branch1][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring2][Ring1][=C] |
CC1=CC(C)(C)N=C(Nc2nc(C)c3cc(C)cc(C)c3n2)N1 | [C][C][=C][C][Branch1][C][C][Branch1][C][C][N][=C][Branch2][Ring1][=Branch2][N][C][=N][C][Branch1][C][C][=C][C][=C][Branch1][C][C][C][=C][Branch1][C][C][C][Ring1][Branch2][=N][Ring1][=N][N][Ring2][Ring1][=Branch1] |
Cc1nc2nc(N)nc(N)c2c(C)c1Cc1ccccc1Cl | [C][C][=N][C][=N][C][Branch1][C][N][=N][C][Branch1][C][N][=C][Ring1][Branch2][C][Branch1][C][C][=C][Ring1][=N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
CC(C)(N)CNC(=O)C[C@@H]1CCC[C@]2(C1)OOC1(O2)C2CC3CC(C2)CC1C3 | [C][C][Branch1][C][C][Branch1][C][N][C][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][C@][Branch1][Ring2][C][Ring1][=Branch1][O][O][C][Branch1][Ring2][O][Ring1][=Branch1][C][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][C][Ring1][#Branch2][C][Ring1][#Branch1] |
CC(C(=O)NCCc1ccccc1O)c1cccc(Oc2ccccc2)c1 | [C][C][Branch1][P][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][=N] |
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)CNC2CCN(Cc3ccccc3)CC2)cc(N(C)S(C)(=O)=O)c1)c1ccccc1 | [C][C@@H1][Branch2][=Branch1][#Branch2][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][=C][C][Branch1][=N][N][Branch1][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring2][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |
O=c1cc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)cc2)oc2ccccc12 | [O][=C][C][=C][Branch2][=Branch1][P][C][=C][C][=C][Branch2][=Branch1][Branch1][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][=C][C][=C][Branch2][Ring1][C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][O][C][=C][Ring1][P][C][=C][Ring2][Branch1][#C][O][C][=C][C][=C][C][=C][Ring2][=Branch1][=Branch2][Ring1][=Branch1] |