molecule_smiles
stringlengths 1
1.82k
| SELFIES
stringlengths 3
6.66k
|
---|---|
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)OC(C(=O)O[C@H]1C[C@@]2(O)[C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C(=O)C(OC(C)=O)=C(C1C)C2(C)C)[C@@H](NC(=O)c1ccccc1)c1ccccc1 | [C][C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][/C][=C][\C][C][C][=Branch1][C][=O][O][C][Branch2][#Branch1][Ring1][C][=Branch1][C][=O][O][C@H1][C][C@@][Branch1][C][O][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][Branch1][C][O][C@@][Ring1][=N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][=C][Branch1][=Branch1][C][Ring2][Ring2][Branch1][C][C][Ring2][Ring2][Branch1][Branch1][C][C][C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1cc2occ(-c3ccc(CN4CCCC4)cc3)c(=O)c2cc1OC | [C][O][C][=C][C][O][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C] |
CCN(CC)Cc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][C][=C][Ring2][Ring1][Branch1] |
COc1cc2c(cc1OC)C(=O)CC(c1ccc(CN3CCCC3)cc1)O2 | [C][O][C][=C][C][=C][Branch1][#Branch1][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][C][C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][O][Ring2][Ring1][#Branch1] |
CC1(C)CC2(C)OC2C2(C1)N=N/C(=N/c1ccccc1)O2 | [C][C][Branch1][C][C][C][C][Branch1][C][C][O][C][Ring1][Ring2][C][Branch1][Ring2][C][Ring1][=Branch2][N][=N][/C][=Branch1][#Branch2][=N][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=N] |
O=C(Nc1ccc(Nc2ncnc3sc4c(c23)CCCC4)cc1)Nc1cccc(C(F)(F)F)c1 | [O][=C][Branch2][Ring2][Ring2][N][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=N][C][=N][C][S][C][=C][Branch1][=Branch1][C][Ring1][=Branch2][=Ring1][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][Ring2][N][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CC(C)(C)NCC(O)COc1cccc2[nH]ccc12 | [C][C][Branch1][C][C][Branch1][C][C][N][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][NH1][C][=C][C][Ring1][=Branch2][=Ring1][Branch1] |
CCc1c2ccccc2cc2c1ccc1ccccc12 | [C][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][C][=C][Ring1][#Branch2][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
COc1ccc2c(c1)-c1n[nH]c(=Cc3c(O)[nH]c4cc(OC)ccc34)c1=C2 | [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][=N][NH1][C][=Branch2][Ring1][=Branch1][=C][C][=C][Branch1][C][O][NH1][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][N][Ring1][Branch2][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1] |
[2H]C([2H])([2H])NC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1 | [2H][C][Branch1][C][2H][Branch1][C][2H][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][=Branch2][O][C][=C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][=C][C][=N][Ring2][Ring1][N] |
CCN(CC)Cc1ccc(/C=C/C(=O)c2cc(OC)c(OC)cc2O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][/C][=C][/C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][C][=C][Ring2][Ring1][Branch1] |
CCCCC[C@@H](O)/C=C/c1ccccc1/C=C/[C@@H](O)[C@@H](O)CCCC(=O)O | [C][C][C][C][C][C@@H1][Branch1][C][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][/C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][C][C][C][=Branch1][C][=O][O] |
CCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C)[C@@H](C)CC | [C][C][C][C][Branch2][Branch1][P][N][C][=Branch1][C][=O][C][Branch2][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch2][Ring2][Ring2][N][C][=Branch1][C][=O][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][#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][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C] |
C=C1C(=O)OC2CC1C(O)C/C(C)=C/CC/C(C)=C/C(O)CC2C | [C][=C][C][=Branch1][C][=O][O][C][C][C][Ring1][#Branch1][C][Branch1][C][O][C][/C][Branch1][C][C][=C][/C][C][/C][Branch1][C][C][=C][/C][Branch1][C][O][C][C][Ring2][Ring1][C][C] |
CCCCCCc1ccc(-c2ccc(C(=O)NC(CCCN)C(=O)NC(C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)N[C@@H](C)B(O)O)[C@@H](C)O)cc2)cc1 | [C][C][C][C][C][C][C][=C][C][=C][Branch2][=Branch1][N][C][=C][C][=C][Branch2][Branch1][S][C][=Branch1][C][=O][N][C][Branch1][Branch1][C][C][C][N][C][=Branch1][C][=O][N][C][Branch2][Ring2][=Branch1][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@@H1][Branch1][C][C][B][Branch1][C][O][O][C@@H1][Branch1][C][C][O][C][=C][Ring2][Ring2][#Branch2][C][=C][Ring2][Ring2][S] |
COC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)C(OC(C)=O)=C3C(C)[C@@H](OC(=O)C(O)C(NC(=O)OC(C)(C)C)C(C)(C)C)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C | [C][O][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][#Branch1][O][C][Branch1][C][C][=O][=C][C][Branch1][C][C][C@@H1][Branch2][Ring2][Ring1][O][C][=Branch1][C][=O][C][Branch1][C][O][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][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][Ring2][Ring2][Ring2][=N][C][Ring2][Ring2][Branch1][Branch1][C][C][C] |
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1nnc2ccccn12 | [C][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][C][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][C][C][=C][Ring2][Ring1][O][C][#C][C][=N][N][=C][C][=C][C][=C][N][Ring1][=Branch2][Ring1][=Branch1] |
CCN(CC)Cc1cccc(-c2coc3cc(OC)c(OC)cc3c2=O)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][=C][Ring2][Ring1][Branch1] |
CCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O)C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC)[C@@H](C)CC | [C][C][C][C][Branch2][Branch1][#Branch1][N][C][=Branch1][C][=O][C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][C][C][C][C] |
C=CCN1CC(=O)N2C(Cc3ccc(O)cc3F)C(=O)N(Cc3cccc(N4CC(N5CCN(CC)CC5)C4)n3)C[C@@H]2N1C(=O)NCc1ccccc1 | [C][=C][C][N][C][C][=Branch1][C][=O][N][C][Branch1][=C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][N][Branch2][Ring2][C][C][C][=C][C][=C][C][Branch2][Ring1][Branch1][N][C][C][Branch1][=N][N][C][C][N][Branch1][Ring1][C][C][C][C][Ring1][Branch2][C][Ring1][N][=N][Ring2][Ring1][C][C][C@@H1][Ring2][Ring2][Ring1][N][Ring2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)c1cc2c(cc1O)[C@@]1(C)CCC[C@@](C)(CNC(=O)c3ccc(Cl)cc3)[C@@H]1CC2 | [C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C@@][Branch1][C][C][C][C][C][C@@][Branch1][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C@@H1][Ring2][Ring1][Ring1][C][C][Ring2][Ring1][#Branch2] |
CSCO[C@H]1C[C@H]2OC[C@@]2(OC(C)=O)[C@H]2[C@H](OC(=O)c3ccccc3)[C@]3(O)C[C@H](OC(=O)C(O)C(NC(=O)c4ccccc4)c4ccccc4)C(C)=C(C(OC(C)=O)C(=O)[C@]12C)C3(C)C | [C][S][C][O][C@H1][C][C@H1][O][C][C@@][Ring1][Ring2][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@H1][C@H1][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][O][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][Branch1][C][C][=C][Branch2][Ring1][=Branch1][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][=Branch1][C][=O][C@][Ring2][Branch1][=Branch2][Ring2][Ring2][#C][C][C][Ring2][Ring2][=Branch1][Branch1][C][C][C] |
OCc1cc2c3ccccc3n(Cc3ccccc3)c2c(-c2c[nH]c3ccccc23)n1 | [O][C][C][=C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][S][C][Branch1][=C][C][=C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][=N][Ring2][Ring1][=N] |
O=C(NCc1ccc(OC(F)(F)F)c(F)c1)C1CN(c2nc3nc(C4CC4)ncc3s2)CCN1S(=O)(=O)c1ccc(C(F)(F)F)cc1 | [O][=C][Branch2][Ring1][=Branch2][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][=C][Ring1][N][C][C][N][Branch2][Ring1][Branch1][C][=N][C][=N][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][=C][Ring1][=Branch2][S][Ring1][N][C][C][N][Ring2][Ring1][C][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] |
CCC1NC(=O)C([C@H](O)[C@H](C)CCCCCCNC(C)=O)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(CC(C)C)N(C)C(=O)C(C)N(C)C1=O | [C][C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][Branch1][C@H1][Branch1][C][O][C@H1][Branch1][C][C][C][C][C][C][C][C][N][C][Branch1][C][C][=O][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][=Branch1][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][C][C][N][Branch1][C][C][C][Ring2][#Branch1][=Branch2][=O] |
COC1=C(C)C2CC(O)OC3CC4C(C)=CC(OC)C(=O)C4(C)C(C1=O)C32C | [C][O][C][=C][Branch1][C][C][C][C][C][Branch1][C][O][O][C][C][C][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][#Branch1][=O][C][Ring1][P][Ring2][Ring1][=Branch1][C] |
CCN(CC)Cc1cccc(C2CC(=O)c3cc(OC)c(OC)cc3O2)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][=C][Ring2][Ring1][Branch1] |
C[C@@H]1[C@H](NCc2cccc([N+](=O)[O-])c2)[C@H]1c1ccccc1 | [C][C@@H1][C@H1][Branch2][Ring1][C][N][C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C@H1][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNc1ncn(-c2c(C)cccc2C)c(=O)n1 | [C][N][C][N][=C][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][=Ring1][#C] |
COC(=O)[C@]1(C)CCC[C@]2(C)C3=CC(=O)[C@@]4(C(C)C)O[C@H]4[C@]3(O)CC[C@@H]12 | [C][O][C][=Branch1][C][=O][C@][Branch1][C][C][C][C][C][C@][Branch1][C][C][C][=C][C][=Branch1][C][=O][C@@][Branch1][=Branch1][C][Branch1][C][C][C][O][C@H1][Ring1][=Branch1][C@][Ring1][O][Branch1][C][O][C][C][C@@H1][Ring2][Ring1][=Branch1][Ring1][P] |
COc1cc(O)c(C(=O)/C=C/c2ccc(CN3CCCCC3)cc2)cc1OC | [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][#Branch2][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][Ring2][Ring1][Branch2][O][C] |
Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(N)=O)c2C#N)cc1 | [C][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][Branch1][Branch2][S][C][C][Branch1][C][N][=O][=C][Ring1][P][C][#N][C][=C][Ring2][Ring1][=Branch2] |
Cc1ccc(Cl)c(OCCN2CCC(O)CC2)c1 | [C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][#C][O][C][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][=C][Ring1][P] |
O=C(c1ccc(OC(F)(F)F)c(Cl)c1)N1CC(OCc2ccc(S(=O)(=O)Nc3ncns3)cc2)C1 | [O][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][N][N][C][C][Branch2][Ring1][N][O][C][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=N][S][Ring1][Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Branch1] |
CCN(CC)Cc1ccc(-c2coc3cc(OC)c(OC)cc3c2=O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][Branch1] |
Cn1ncc2cc(-c3cc(CCC(=O)O)cc(N)c3OC3Cc4ccccc4C3)ccc21 | [C][N][N][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][C][Branch1][C][N][=C][Ring1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][#C] |
COc1cc(Nc2nc(NCCO)c3c(n2)N(c2ccc(F)cc2)CC3(C)C)ccc1-n1cnc(C)n1 | [C][O][C][=C][C][Branch2][Ring2][Branch2][N][C][=N][C][Branch1][Branch1][N][C][C][O][=C][C][=Branch1][Ring2][=N][Ring1][#Branch2][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N][Branch1][C][C][C][=C][C][=C][Ring2][Ring1][=N][N][C][=N][C][Branch1][C][C][=N][Ring1][=Branch1] |
CCCC(C(=O)NC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C)[C@@H](C)CC)N(C)C(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)CN(C)C(=O)CCC(=O)O)C(C)C)[C@H](C)CC)[C@@H](C)O | [C][C][C][C][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][N][C][Branch2][Ring2][#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][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Branch1][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O] |
COc1ccc([C@H]2CNC(=O)C(Cc3cccc(C)c3)C2)cc1OC1CCCC1 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C@H1][C][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1][O][C][C][C][C][C][Ring1][Branch1] |
CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(O)=NO)c2)cc1 | [C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][/C][=C][/C][Branch1][C][O][=N][O][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CC[C@@H](C)C(NC(=O)C(CO)NC(=O)C(CC(N)=O)NC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(NC(=O)C(C)NC(=O)C(CCSC)NC(=O)C(CCC(N)=O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(N)Cc1c[nH]cn1)C(C)C)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)O | [C][C][C@@H1][Branch1][C][C][C][Branch3][Ring1][#Branch1][P][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][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][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][Branch2][P][#C][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch1][C][C][S][C][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][#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][N][C][=Branch1][C][=N][N][N][C][=Branch1][C][=O][C][Branch2][#Branch2][S][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][#Branch1][C][C][Branch1][C][N][=O][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][=Branch1][C][=O][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][Branch1][Ring1][N][C][=Branch1][C][=O][C][Branch1][C][C][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][Branch1][C][N][C][C][=C][NH1][C][=N][Ring1][Branch1][C][Branch1][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][O][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][#Branch1][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][O] |
CC1(C)CC(OC(=O)C2CC2)CC(C)(C)N1O | [C][C][Branch1][C][C][C][C][Branch1][O][O][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][N][Ring1][#C][O] |
CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCCC1C(=O)N1C(C(=O)O)C1C(=O)OCC1CCCCC1 | [C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][Ring1][=Branch1] |
Cc1nn(C)cc1CN1CCC(c2ccc(C(=O)Nc3ccccc3N)cc2)CC1 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
CCCCCCCCCC=CCCC(=O)N=CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](Nc2ncnc3[nH]cnc23)O[C@H]1[C@@H](O)CO | [C][C][C][C][C][C][C][C][C][C][=C][C][C][C][=Branch1][C][=O][N][=C][C][=Branch1][C][=O][N][C@@H1][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C@@H1][Branch1][#C][N][C][=N][C][=N][C][NH1][C][=N][C][Ring1][=Branch2][=Ring1][Branch1][O][C@H1][Ring2][Ring1][C][C@@H1][Branch1][C][O][C][O] |
COC(=O)C1=CC(=O)N2CCN=C2S1 | [C][O][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][C][C][N][=C][Ring1][Branch1][S][Ring1][#Branch2] |
FC(F)(F)c1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1 | [F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch2][Ring1][#Branch2][C][O][C][Branch1][=Branch2][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=C][Ring2][Ring1][#Branch1] |
c1cc2cccc3c4cccc5cccc(c(c1)c23)c54 | [C][=C][C][=C][C][=C][C][C][=C][C][=C][C][=C][C][=C][C][Branch1][=N][C][=Branch1][Branch1][=C][Ring2][Ring1][C][C][Ring1][P][=Ring1][=N][=C][Ring1][=Branch2][Ring1][=N] |
Cc1c(CN(C)C(=O)/C=C/c2cnc3c(c2)CCC(=O)N3COP(=O)(O)O)oc2ccccc12 | [C][C][=C][Branch2][Ring2][=Branch2][C][N][Branch1][C][C][C][=Branch1][C][=O][/C][=C][/C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][Ring1][Branch2][C][O][P][=Branch1][C][=O][Branch1][C][O][O][O][C][=C][C][=C][C][=C][Ring2][Ring1][P][Ring1][=Branch1] |
CC(=O)Nc1cccc([As](=O)(c2cccc(NC(C)=O)c2)c2cccc(NC(C)=O)c2)c1 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][#Branch1][As][=Branch1][C][=O][Branch1][P][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][C][=C][C][=C][C][Branch1][#Branch1][N][C][Branch1][C][C][=O][=C][Ring1][#Branch2][=C][Ring2][Ring1][N] |
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCOC(=O)OCCN5CCN(S(=O)(=O)c6ccc(OCC)c(-c7nc(=O)c8c([nH]7)c(CCC)nn8C)c6)CC5)CC4)ccc3OCC)nc12 | [C][C][C][C][=N][N][Branch1][C][C][C][C][=Branch1][C][=O][NH1][C][Branch2][Branch2][=Branch2][C][=C][C][Branch2][#Branch1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][=Branch1][#Branch1][C][C][O][C][=Branch1][C][=O][O][C][C][N][C][C][N][Branch2][Ring2][P][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][O][C][C][C][Branch2][Ring1][=Branch2][C][=N][C][=Branch1][C][=O][C][=C][Branch1][Ring2][NH1][Ring1][#Branch1][C][Branch1][Ring2][C][C][C][=N][N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][S][C][C][Ring2][Ring2][=C][=C][C][=C][Ring2][Branch1][#Branch1][O][C][C][=N][C][Ring2][=Branch1][Branch1][=Ring2][Branch1][P] |
COc1cc2oc(-c3cccc(CN4CCCC4)c3)cc(=O)c2cc1OC | [C][O][C][=C][C][O][C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][=C][C][=Branch1][C][=O][C][=Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch1][O][C] |
CC(=O)C1=CCCC(=O)CCC(=O)O1 | [C][C][=Branch1][C][=O][C][=C][C][C][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][O][Ring1][O] |
CN(CCNC(=O)C=Cc1ccc2ccccc2n1)CCNc1ccnc2cc(Cl)ccc12 | [C][N][Branch2][Ring1][Branch2][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C][C][N][C][=C][C][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][O][Ring1][#Branch1] |
CS(=O)(=O)N(CC(O)Cn1c2ccc(F)cc2c2cc(F)ccc21)c1ccc(-c2cc[nH]n2)cc1 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch2][Ring1][S][C][C][Branch1][C][O][C][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#C][C][=C][C][=C][Branch1][Branch2][C][C][=C][NH1][N][=Ring1][Branch1][C][=C][Ring1][O] |
CCOC(=O)CCC1(C(=O)OC)C(=O)CCCCC/C=C/1C(=O)OC | [C][C][O][C][=Branch1][C][=O][C][C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][C][C][C][C][/C][=C][-/Ring1][=C][C][=Branch1][C][=O][O][C] |
CCN(CC)CCNC(=O)c1ccc(NCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][N][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][O] |
COc1cc(O)c(C(=O)/C=C/c2cccc(CN3CCCC3)c2)cc1OC | [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][O][C] |
COC[C@@]1(C)CCCN2CCc3c(oc4ccccc34)[C@@H]21 | [C][O][C][C@@][Branch1][C][C][C][C][C][N][C][C][C][=C][Branch1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C@@H1][Ring1][=N][Ring2][Ring1][C] |
CCC=CC=CCC(=O)OC1/C(=C/C(=O)OC)CC2CC(C(C)O)OC(=O)CC(O)CC3CC(OC(C)=O)C(C)(C)C(O)(CC4C/C(=C/C(=O)OC)CC(/C=C/C(C)(C)C1(O)O2)O4)O3 | [C][C][C][=C][C][=C][C][C][=Branch1][C][=O][O][C][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][C][C][C][Branch1][=Branch1][C][Branch1][C][C][O][O][C][=Branch1][C][=O][C][C][Branch1][C][O][C][C][C][C][Branch1][#Branch1][O][C][Branch1][C][C][=O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][O][Branch2][Ring2][O][C][C][C][/C][=Branch1][Branch2][=C][/C][=Branch1][C][=O][O][C][C][C][Branch2][Ring1][Branch1][/C][=C][/C][Branch1][C][C][Branch1][C][C][C][Ring2][Branch1][C][Branch1][C][O][O][Ring2][Ring2][N][O][Ring2][Ring1][Ring1][O][Ring2][Ring1][P] |
CC(N)c1ccc(-c2cnc3c(-c4ccc(S(N)(=O)=O)c5ccccc45)cnn3c2)cc1 | [C][C][Branch1][C][N][C][=C][C][=C][Branch2][Ring2][O][C][C][=N][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=N][N][Ring2][Ring1][Ring1][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][=N] |
COC(=O)C1[C@H]2C[C@@H]3c4[nH]c5ccccc5c4CCN3C[C@@H]2CC[C@@H]1O | [C][O][C][=Branch1][C][=O][C][C@H1][C][C@@H1][C][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][C][N][Ring1][=N][C][C@@H1][Ring1][P][C][C][C@@H1][Ring2][Ring1][Branch1][O] |
Cc1ccc2c3ccccc3c3cccc4ccc1c2c43 | [C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][Ring2][Ring1][C][C][Ring1][S][=C][Ring1][=Branch1][Ring1][#Branch2] |
COC1CC2/C=C(C)\C=C\C=C\C(=O)NC(c3ccccc3)C/C=C/CCC(O)CC(=O)C2C1=O | [C][O][C][C][C][/C][=C][Branch1][C][C][\C][=C][\C][=C][\C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][/C][=C][/C][C][C][Branch1][C][O][C][C][=Branch1][C][=O][C][Ring2][Ring1][=N][C][Ring2][Ring1][S][=O] |
O=C(C(O)CO)C(CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O | [O][=C][Branch1][#Branch1][C][Branch1][C][O][C][O][C][Branch1][Ring1][C][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] |
CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN | [C][N][Branch2][Ring1][#C][C][C][=Branch1][C][=O][N][C][=N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][S][Ring1][=C][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][N] |
COCCN1CCN(CCCCOc2ccc(N3C(=O)S/C(=C\c4ccc(Oc5ccc(Cl)cc5)cc4)C3=O)cc2)CC1 | [C][O][C][C][N][C][C][N][Branch2][Branch1][Branch2][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][N][C][=Branch1][C][=O][S][/C][=Branch2][Ring1][Branch2][=C][\C][=C][C][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][Ring1][=C][C][Ring2][Ring1][Branch1][=O][C][=C][Ring2][Ring1][N][C][C][Ring2][Ring2][#Branch1] |
Cc1nc(C)c(C(=O)N/N=C/c2ccc(N(CCCl)CCCl)cc2)s1 | [C][C][=N][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][/N][=C][/C][=C][C][=C][Branch1][#Branch2][N][Branch1][Ring2][C][C][Cl][C][C][Cl][C][=C][Ring1][=N][S][Ring2][Ring1][Branch2] |
N[C@@H](CCS(=O)(=O)O)CSSC[C@@H](N)CCS(=O)(=O)O | [N][C@@H1][Branch1][O][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][S][S][C][C@@H1][Branch1][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][O] |
CC(C)CNC(=O)/C=C\C(=O)O | [C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][/C][=C][\C][=Branch1][C][=O][O] |
CC(=O)NCCC(=O)NC(CCC(N)=O)C(=O)NC(CO)C(=O)NC(CCC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC1(C)CCCCCC/C=C\CCCC(C)(C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(N)=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(C)C)NC(=O)C(CC(N)=O)NC1=O)C(C)O | [C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=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][N][=O][C][=Branch1][C][=O][N][C][Branch2][=N][Ring2][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][C][C][C][C][C][/C][=C][\C][C][C][C][Branch1][C][C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][Branch1][C][N][=O][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][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][#Branch1][C][C][Branch1][C][C][C][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][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][C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][N][=O][N][C][Ring2][#Branch1][=C][=O][C][Branch1][C][C][O] |
Cc1cc(O)cc2c1[C@H]1CC[C@]3(C)C(=O)CC[C@H]3C1=CC2 | [C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C@H1][C][C][C@][Branch1][C][C][C][=Branch1][C][=O][C][C][C@H1][Ring1][#Branch1][C][Ring1][O][=C][C][Ring1][#C] |
Cc1ccc(-c2cssc2=S)cc1 | [C][C][=C][C][=C][Branch1][=Branch2][C][=C][S][S][C][Ring1][Branch1][=S][C][=C][Ring1][N] |
COc1cc(CO)ccc1O | [C][O][C][=C][C][Branch1][Ring1][C][O][=C][C][=C][Ring1][Branch2][O] |
CCN(CC)Cc1cccc(-c2cc(=O)c3cc(OC)c(OC)cc3o2)c1 | [C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=C][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][#Branch2][O][Ring1][#C][=C][Ring2][Ring1][Branch1] |
O=C(O)/C=C\C(=O)Nc1nccs1 | [O][=C][Branch1][C][O][/C][=C][\C][=Branch1][C][=O][N][C][=N][C][=C][S][Ring1][Branch1] |
O=S1(=O)CCC(N(/N=C/c2ccco2)c2ccccc2)C1 | [O][=S][=Branch1][C][=O][C][C][C][Branch2][Ring1][Branch1][N][Branch1][#Branch2][/N][=C][/C][=C][C][=C][O][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Ring2] |
CNc1cc(Nc2ccccc2OC)nn2c(C(=O)NCC(C)(C)CO)cnc12 | [C][N][C][=C][C][Branch1][N][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=N][N][C][Branch1][S][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C][O][=C][N][=C][Ring2][Ring1][O][Ring1][=C] |
N=C(N)c1ccc2[nH]c(-c3cc(CC(=O)NC(CC(=O)O)C(=O)O)cc(-c4cc(S(N)(=O)=O)ccc4O)c3O)nc2c1 | [N][=C][Branch1][C][N][C][=C][C][=C][NH1][C][Branch2][Branch1][Branch2][C][=C][C][Branch2][Ring1][Branch1][C][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][C][=C][Ring1][#Branch2][O][=C][Ring2][Ring1][=N][O][=N][C][Ring2][Ring2][Ring1][=C][Ring2][Ring2][#Branch1] |
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CO | [C][C][C][=C][C][Branch2][Ring1][P][C][=N][O][C][Branch2][Ring1][=Branch1][C][=C][C][Branch1][Ring1][O][C][=N][C][Branch1][Branch2][C][C][C][C][C][Ring1][Branch1][=C][Ring1][=N][=N][Ring2][Ring1][C][=C][C][Branch1][C][C][=C][Ring2][Ring1][=Branch2][O][C][C@@H1][Branch1][C][O][C][O] |
CC(C)CC(NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(N)CO)C(C)C)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)O)C(C)C | [C][C][Branch1][C][C][C][C][Branch2][=Branch1][S][N][C][=Branch1][C][=O][C][Branch1][C][C][N][C][=Branch1][C][=O][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][Branch2][Ring2][#Branch2][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][NH1][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][Branch1][C][N][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][C][C][C][=Branch1][C][=O][N][C][Branch2][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=Branch1][C][=O][N][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][N][=C][Branch1][C][N][N][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O][C][Branch1][C][C][C] |
CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CO)C(=O)NC(CCCN=C(N)N)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)NC(Cc1ccccc1)C(N)=O | [C][C][C][C][C][C][C][C][C][C][C][C][C][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][Ring1][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][C][C][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][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][N][=O] |
CSc1n[nH]c(-c2cccs2)n1 | [C][S][C][=N][NH1][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2] |
C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(N5CCN(CCO)CC5)c(F)c4F)nc23)c1 | [C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring2][S][C][=C][C][=C][C][=C][N][=C][Branch2][Ring1][=N][N][C][=C][C][=C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][C][Branch1][C][F][=C][Ring1][S][F][N][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2][=C][Ring2][Ring2][C] |
NC(=O)C1(NC(=O)C(Cc2ccccc2)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2csc3ccccc23)NC(=O)C2CCNCC2)CCNCC1 | [N][C][=Branch1][C][=O][C][Branch2][=Branch1][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][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][S][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][N][C][C][Ring1][=Branch1][C][C][N][C][C][Ring2][Branch1][=Branch1] |
CC(C)OCCn1c(=S)[nH]c(=O)c2[nH]ccc21 | [C][C][Branch1][C][C][O][C][C][N][C][=Branch1][C][=S][NH1][C][=Branch1][C][=O][C][NH1][C][=C][C][=Ring1][Branch1][Ring1][O] |
COc1cc(O)c(C(=O)/C=C/c2ccc(CN3CCCC3)cc2)cc1OC | [C][O][C][=C][C][Branch1][C][O][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring1][#Branch1][O][C] |
CCNC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(CCCN=C(N)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(C)=O)C(C)C)[C@H](C)CC)[C@@H](C)O)[C@@H](C)CC | [C][C][N][C][=Branch1][C][=O][C][Branch1][#Branch2][C][C][C][N][=C][Branch1][C][N][N][N][C][=Branch1][C][=O][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][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][N][C][=Branch1][C][=O][C][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C@H1][Branch1][C][C][C][C][C@@H1][Branch1][C][C][O][C@@H1][Branch1][C][C][C][C] |
CCCS(=O)(=O)N1CCN(Cc2ccc(NC(=O)c3ccc(-c4cc(NC(=O)C5CC5)ccc4OC(F)(F)F)cc3)cc2)CC1 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][N][C][C][=C][C][=C][Branch2][Ring2][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][C][=C][Ring1][N][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S][C][C][Ring2][Ring2][#Branch1] |
CCC[C@H](C)Oc1nc(N)c2[nH]c(=O)n(CCCCCN3CCCCC3)c2n1 | [C][C][C][C@H1][Branch1][C][C][O][C][=N][C][Branch1][C][N][=C][NH1][C][=Branch1][C][=O][N][Branch1][=C][C][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][Ring1][P][=N][Ring2][Ring1][=Branch1] |
COc1cc2c(c3c1c(=O)c1cccc(F)c1n3C)C=CC(C)(C)O2 | [C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][Ring1][N][C][C][=C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][Branch1] |
Cn1cc(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)cn1 | [C][N][C][=C][Branch2][Ring2][C][C][C][N][C][=N][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=C][Ring1][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C][=N][Ring2][Ring1][#Branch2] |
CCCCCCCCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)C3=CC(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@H]2[C@]1(OC(C)=O)[C@]2(C)CO | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C@@H1][C@@H1][Branch1][C][C][C@][Branch1][C][O][C][=C][C][Branch1][C][C][C][=Branch1][C][=O][C@@][Ring1][#Branch1][Branch1][C][O][C][C][Branch1][Ring1][C][O][=C][C@H1][Ring1][S][C@H1][C@][Ring2][Ring1][Branch1][Branch1][#Branch1][O][C][Branch1][C][C][=O][C@][Ring1][#Branch1][Branch1][C][C][C][O] |
CCCCCC=CCC=CCCCCCCC(O)C(=O)O | [C][C][C][C][C][C][=C][C][C][=C][C][C][C][C][C][C][C][Branch1][C][O][C][=Branch1][C][=O][O] |
CC1=C2[C@H]3OC(=O)C(C)[C@@H]3CC[C@@]2(C)C=CC1=NO | [C][C][=C][C@H1][O][C][=Branch1][C][=O][C][Branch1][C][C][C@@H1][Ring1][#Branch1][C][C][C@@][Ring1][O][Branch1][C][C][C][=C][C][Ring1][S][=N][O] |
N#C/N=C/N1CC=C(c2ccc(Cl)cc2)CC1 | [N][#C][/N][=C][/N][C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CCCCOc1nc(N)c2[nH]c(=O)n(CCCN(CCCN3CCOCC3)Cc3cccc(CC(=O)OC)c3)c2n1 | [C][C][C][C][O][C][=N][C][Branch1][C][N][=C][NH1][C][=Branch1][C][=O][N][Branch2][Ring2][Ring2][C][C][C][N][Branch1][N][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][C][=C][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][Ring2][Ring1][#C][=N][Ring2][Ring2][Ring2] |
CCCCOC(=O)N1CCN(C(=O)C(CP(=O)(O)O)NC(=O)c2cc(N3CC[C@H](OC)C3)nc(-c3ccccc3)n2)CC1 | [C][C][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Branch1][=Branch1][C][=Branch1][C][=O][C][Branch1][#Branch2][C][P][=Branch1][C][=O][Branch1][C][O][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][N][N][C][C][C@H1][Branch1][Ring1][O][C][C][Ring1][#Branch1][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring2][Ring1][Ring1][C][C][Ring2][Ring2][Ring2] |
O=c1[nH]cc(Cl)cc1Cl | [O][=C][NH1][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl] |
CC(C)(C)OC(=O)N1CCC2(CCc3cc(-c4ccc(CS(=O)(=O)Cc5ccccn5)cc4)ccc3O2)CC1 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][#C][C][C][C][=C][C][Branch2][Ring1][=N][C][=C][C][=C][Branch2][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P][=C][C][=C][Ring2][Ring1][#Branch1][O][Ring2][Ring1][O][C][C][Ring2][Ring1][S] |