smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
CN(CCCCc1ccccc1)C(=O)[C@@H](O)[C@@H](O)c1nc2ccccc2s1 | 180,943,980 | [C][N][Branch1][=N][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
C[C@]1(c2ccc(F)cc2)CC(=O)N(Cc2cc(Cl)c3c(c2)OCCO3)C1=O | 581,123,978 | [C][C@][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][N][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][C][Ring2][Ring1][=Branch2][=O] |
Cc1ccccc1CCCN1[C@H]2CC[C@H]1CC(NC(=O)[C@@H]1C[C@@H]3O[C@H]1[C@H]1C[C@@H]31)C2 | 1,021,328,955 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@@H1][C][C@@H1][O][C@H1][Ring1][Branch1][C@H1][C][C@@H1][Ring1][=Branch1][Ring1][Ring1][C][Ring2][Ring1][C] |
Cc1ccc2c(c1)nc(CNC(=O)N[C@H](C1CC1)C1(CO)CCOCC1)n2C | 1,347,591,784 | [C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][N][C@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Branch1][Ring1][C][O][C][C][O][C][C][Ring1][Branch2][N][Ring2][Ring1][#Branch1][C] |
COc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(-c3ccccc3)cc2)cc1 | 1,803,825,461 | [C][O][C][=C][C][=C][Branch2][Ring2][#C][C@@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][N][C][=C][Ring2][Ring2][C] |
C[C@H](NC(=O)c1ccc(N)cc1Cl)c1ccc(OCC(=O)NC2CC2)cc1 | 269,259,696 | [C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Cl][C][=C][C][=C][Branch1][=N][O][C][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][Ring1][=C] |
Cc1cc(CCC(=O)N2CCCC[C@H]2C2CCN(C(=O)C(F)F)CC2)ccn1 | 1,825,038,769 | [C][C][=C][C][Branch2][Ring2][C][C][C][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][Branch1][C][F][F][C][C][Ring1][O][=C][C][=N][Ring2][Ring1][O] |
C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)c1ccnn1-c1ccccc1 | 791,651,339 | [C][C@H1][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=C][C][=Branch1][C][=O][C][=C][C][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
C[C@H](NC(=O)N=c1nc2cc(Cl)ccn2[nH]1)c1nc(C(C)(C)C)cs1 | 574,727,503 | [C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][=C][N][=C][C][=C][Branch1][C][Cl][C][=C][N][Ring1][#Branch1][NH1][Ring1][#Branch2][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][S][Ring1][=Branch2] |
Cc1cccc(-c2cc(NC(=O)c3ccc(CS(=O)(=O)c4ccccc4)o3)n(-c3ccccc3)n2)c1 | 787,394,033 | [C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring2][Ring1][=N][=C][Ring2][Ring2][Ring1] |
CCCc1c(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cnn1-c1ccc(F)cc1 | 627,261,642 | [C][C][C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][O][N][C][C][C@@H1][Branch1][C][O][C][Ring1][=Branch1][C][Ring1][O][C][=N][N][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H](C)Cn2ncc3ccccc3c2=O)cc1C | 482,079,675 | [C][C][=C][C][=C][Branch2][Ring2][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][N][N][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][=N][C] |
COc1ccc(-c2csc([C@H](C#N)C(=O)c3ccc(OC)c(S(=O)(=O)N4CCCC4)c3)n2)cc1 | 512,488,758 | [C][O][C][=C][C][=C][Branch2][Ring2][P][C][=C][S][C][Branch2][Ring2][=Branch1][C@H1][Branch1][Ring1][C][#N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][=C][Ring1][S][=N][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S] |
CC(=O)Nc1ccc(N2C[C@H](C(=O)NC[C@H](C)c3ccc(F)cc3)CC2=O)cc1 | 1,125,568,871 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][N][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][C][=O][C][=C][Ring2][Ring1][=Branch2] |
Cc1oc(C(C)C)cc1C(=O)NC1(CNC(=O)C#CC(C)C)CC1 | 1,506,044,002 | [C][C][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][C][=Ring1][Branch2][C][=Branch1][C][=O][N][C][Branch1][=C][C][N][C][=Branch1][C][=O][C][#C][C][Branch1][C][C][C][C][C][Ring1][N] |
C[C@@H](Cl)c1nc2cccc(Br)c2n1CCc1cnoc1 | 718,879,312 | [C][C@@H1][Branch1][C][Cl][C][=N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][Ring1][#Branch2][C][C][C][C][=N][O][C][=Ring1][Branch1] |
CN(C(=O)/C=C/c1ccc(Cl)nc1)c1cccc(S(C)(=O)=O)c1 | 155,184,348 | [C][N][Branch2][Ring1][C][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
Cc1nc(N2C[C@H](Br)CC2(C)C)c2c(C)c(C)sc2n1 | 2,154,822,131 | [C][C][=N][C][Branch1][#C][N][C][C@H1][Branch1][C][Br][C][C][Ring1][=Branch1][Branch1][C][C][C][=C][C][Branch1][C][C][=C][Branch1][C][C][S][C][Ring1][#Branch1][=N][Ring2][Ring1][Ring1] |
COC(=O)c1ccc(S(=O)(=O)NC(=O)CN2C(=O)[C@H]3CCCC[C@H]3C2=O)s1 | 917,434,936 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2][=O][S][Ring2][Ring1][#Branch1] |
N#Cc1ccc(Nc2ccc(N)c(N)n2)cc1F | 307,905,131 | [N][#C][C][=C][C][=C][Branch1][S][N][C][=C][C][=C][Branch1][C][N][C][Branch1][C][N][=N][Ring1][Branch2][C][=C][Ring1][#C][F] |
CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)N(C)CCN(C)CC(F)F)O[C@H](C)C2 | 530,293,228 | [C][C][O][C][=C][C][=C][Branch2][Ring1][=C][C][=C][Ring1][=Branch1][C@@H1][C][C@H1][Ring1][Ring1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Branch1][C][C][C][C][Branch1][C][F][F][O][C@H1][Branch1][C][C][C][Ring2][Ring1][#Branch1] |
CC(C)(C)c1ncccc1C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CNC(=N)N | 1,795,536,789 | [C][C][Branch1][C][C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C@H1][Branch1][Ring2][C][Ring1][Branch2][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=N][N] |
CCOC(=O)C(C)(C)C1CCN(C(=O)c2ccccc2[S@](=O)CC)CC1 | 553,187,174 | [C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][S@][=Branch1][C][=O][C][C][C][C][Ring2][Ring1][C] |
C=C(C)C[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2ncc(Cl)s2)C1 | 1,720,784,087 | [C][=C][Branch1][C][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=N][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][Ring1][=N] |
O=C(Nc1cc([C@H]2CCCCN2C(=O)[C@@H](F)Cl)[nH]n1)c1ccccc1C1CC1 | 1,823,131,351 | [O][=C][Branch2][Ring1][=N][N][C][C][=C][Branch2][Ring1][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][C][F][Cl][NH1][N][=Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
CCn1ccnc1[C@H]1OCC[C@H]1C(=O)N1CCC(c2nc(C)c(C)s2)CC1 | 1,548,888,306 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C@H1][O][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring1][=N] |
CCc1nn(C)cc1NC(=O)C(=O)N(C)C[C@H]1CCCCN1Cc1ccccc1 | 874,227,231 | [C][C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
NC(=O)[C@@H](N)CCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cccc(F)c2)C1 | 1,780,352,312 | [N][C][=Branch1][C][=O][C@@H1][Branch1][C][N][C][C][C][=Branch1][C][=O][N][C][C][C@H1][O][C][C][C][C@@][Ring1][=Branch1][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring1][Branch1] |
Cc1nc(-c2cccc(NC(=O)CN[C@]3(CC(=O)O)CCOC3)c2)cs1 | 1,600,678,378 | [C][C][=N][C][Branch2][Ring2][Ring1][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][N][C@][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][O][C][Ring1][=Branch2][=C][Ring2][Ring1][Ring2][=C][S][Ring2][Ring1][=Branch2] |
C=C[C@@H](C)N(C)[C@@]1(CN)CC(C)(C)OC1(C)C | 2,024,849,229 | [C][=C][C@@H1][Branch1][C][C][N][Branch1][C][C][C@@][Branch1][Ring1][C][N][C][C][Branch1][C][C][Branch1][C][C][O][C][Ring1][=Branch2][Branch1][C][C][C] |
CCCN1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)O)c(F)c3)c2C1 | 1,605,326,302 | [C][C][C][N][C][C][=C][C][=C][C][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][F][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][Ring2][Ring1][#Branch1] |
C[C@H](O[C@H](C)CC(C)(C)C#N)C1(N)CC1 | 1,913,491,801 | [C][C@H1][Branch1][S][O][C@H1][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][#N][C][Branch1][C][N][C][C][Ring1][Ring2] |
CCc1ccc(O[C@H](C)C(=O)N2CCN(C(=O)CCCCN(C)C)CC2)cc1 | 565,270,677 | [C][C][C][=C][C][=C][Branch2][Ring1][P][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][C][C][N][Branch1][C][C][C][C][C][Ring1][#C][C][=C][Ring2][Ring1][#Branch2] |
Brc1ccc2nc(CN3CCN(Cc4ccccn4)CC3)oc2c1 | 463,069,796 | [Br][C][=C][C][=C][N][=C][Branch2][Ring1][Branch1][C][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][=N][O][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][#Branch1] |
Cc1ccc(C)c(NC(=O)C(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2Cl)c1 | 752,111,552 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C@@H1][Branch1][C][O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Cl][=C][Ring2][Ring1][=Branch2] |
C/C(=C/C(=O)N1CC2(CCCN2C(=O)c2cc(C)c3ccccc3n2)C1)C(=O)O | 1,843,740,364 | [C][/C][=Branch2][Ring2][O][=C][/C][=Branch1][C][=O][N][C][C][Branch2][Ring1][N][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][O][C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][O] |
COc1ccc(OC)c(NC(=O)/C(C#N)=C\Nc2cccc3ccccc23)c1 | 217,217,358 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][/C][Branch1][Ring1][C][#N][=C][\N][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2] |
Cc1cccc(CS(=O)(=O)NCCC2CCN(CC(F)(F)F)CC2)c1 | 176,907,715 | [C][C][=C][C][=C][C][Branch2][Ring1][#C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][O][=C][Ring2][Ring1][Branch2] |
Cc1ccc(COCC(=O)Nc2ccc(C3(NC(=O)c4ccc5ncncc5c4)CCC3)cc2)cc1C | 1,788,666,360 | [C][C][=C][C][=C][Branch2][Ring2][P][C][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][N][=C][N][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][Ring1][C] |
CN(C)S(=O)(=O)C[C@@H](NC(=O)CCNC(=O)c1cc2ccccc2[nH]1)C(F)(F)F | 1,521,092,938 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Branch1][C][F][Branch1][C][F][F] |
Cc1cc2ncn(C[C@@H](O)CN3CCC(N4CCCCC4=O)CC3)c2cc1C | 120,349,553 | [C][C][=C][C][N][=C][N][Branch2][Ring1][#Branch2][C][C@@H1][Branch1][C][O][C][N][C][C][C][Branch1][#Branch2][N][C][C][C][C][C][Ring1][=Branch1][=O][C][C][Ring1][=N][C][=Ring2][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch2][C] |
COc1ccc(S(=O)(=O)NC(=O)[C@H]2CC[C@H](C(F)(F)F)NC2=O)cc1OC | 916,768,457 | [C][O][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][C][Ring1][#Branch2][=O][C][=C][Ring2][Ring1][#Branch1][O][C] |
Cc1ncc2c(n1)CC[C@@H](NS(=O)(=O)c1cc(C)c(F)c([N+](=O)[O-])c1)C2 | 371,392,462 | [C][C][=N][C][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C@@H1][Branch2][Ring1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][C][F][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][O][C][Ring2][Ring1][=Branch1] |
O=C(CS(=O)(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O)Nc1cccc(F)c1 | 2,195,272,635 | [O][=C][Branch2][Ring1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1] |
CN(C)S(=O)(=O)c1cc(NC(=O)Cc2cccc(Cl)c2F)ccc1F | 579,062,211 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][=C][C][=C][Ring2][Ring1][C][F] |
Cc1c(NC(=O)[C@H]2CCCN2C2CCOCC2)c(=O)n(-c2ccccc2)n1C | 153,376,699 | [C][C][=C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Ring1][Branch1][C][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][#Branch2][C] |
CN(Cc1ccc(Cl)s1)C(=O)C(=O)N1CCN(Cc2ccncc2)CC1 | 297,848,650 | [C][N][Branch1][N][C][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][#Branch2][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][Ring1][=N] |
CN(C)C(=O)Cn1c([C@H]2CCCO2)nnc1N(C)C[C@H](c1cccs1)N1CCOCC1 | 1,766,879,901 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][N][Branch1][C][C][C][C@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][C][C][O][C][C][Ring1][=Branch1] |
CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccnc3[nH]c(O)nc23)CC1 | 1,637,910,021 | [C][N][C][C][N][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=N][C][NH1][C][Branch1][C][O][=N][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][Ring2][Ring1][=N] |
Cc1oc(C(C)(C)C)cc1C(=O)N1CCCC2(CCN(C(=O)CCc3cccc(O)c3)CC2)C1 | 1,808,381,065 | [C][C][O][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][C][=Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][N][C][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1][C][C][Ring1][P][C][Ring2][Ring1][=Branch1] |
CCc1nc2c(C(=O)Nc3ccc(S(=O)(=O)/N=C4\CCCN4C)cc3)ccnc2[nH]1 | 1,541,115,040 | [C][C][C][=N][C][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][/N][=C][\C][C][C][N][Ring1][Branch1][C][C][=C][Ring1][S][C][=C][N][=C][Ring2][Ring1][=Branch2][NH1][Ring2][Ring1][N] |
CC(C)=CCCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc3cc(Br)cc(Cl)c3[nH]1)C2 | 1,799,990,459 | [C][C][Branch1][C][C][=C][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Br][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][NH1][Ring1][O][C][Ring2][Ring1][Branch1] |
C[C@@H]1CCCCN(c2nnc(-c3ccc[nH]3)n2CC[S@](=O)C(C)(C)C)C1 | 1,743,045,506 | [C][C@@H1][C][C][C][C][N][Branch2][Ring1][#C][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][NH1][Ring1][Branch1][N][Ring1][#Branch2][C][C][S@][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring1][=Branch2] |
COC(=O)c1ccc(F)c(NC(=O)Cc2csc(N3CCCC3=O)n2)c1 | 26,500,892 | [C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=N][Ring1][O][=C][Ring2][Ring1][=Branch1] |
Cc1ccccc1Cc1nnc(N2CCC[C@@H](C)C2)n1CCCN1CCOC1=O | 1,492,584,932 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=N][N][=C][Branch1][N][N][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][N][Ring1][N][C][C][C][N][C][C][O][C][Ring1][Branch1][=O] |
C[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CS(C)(=O)=O | 1,795,361,268 | [C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][C@H1][Branch1][Ring2][C][Ring1][Branch2][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][C][S][Branch1][C][C][=Branch1][C][=O][=O] |
COc1ccc(NC(=O)[C@@H](C)OC(=O)[C@]2(c3ccccc3)CCCO2)cc1OC | 924,426,313 | [C][O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C@][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][O][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
CCc1ccc(CNC(=O)COC(=O)c2oc3c(c2C)C(=O)CCC3)s1 | 51,142,558 | [C][C][C][=C][C][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][=C][Branch1][Branch1][C][=Ring1][Branch1][C][C][=Branch1][C][=O][C][C][C][Ring1][=Branch2][S][Ring2][Ring1][Branch2] |
O=C(NC[C@H]1CCN(C(=O)c2ccnc3ncccc23)[C@@H]1c1cccnc1)C(O)O | 1,802,925,794 | [O][=C][Branch2][Ring2][#Branch1][N][C][C@H1][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=N][C][=N][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Branch1][C][O][O] |
CNC(=O)CN1CCC(NC(=O)N[C@@H](CO)c2ccc(Br)cc2)CC1 | 504,058,519 | [C][N][C][=Branch1][C][=O][C][N][C][C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C@@H1][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Ring2] |
COC(=O)CN(CCN1CCOCC1)C(=O)c1ccc(OC)c(-n2cnnn2)c1 | 514,180,567 | [C][O][C][=Branch1][C][=O][C][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][Ring1][=N] |
C#C[C@]1(C)CCCN1c1nnc(-c2cccc(Cl)c2)n1CCN1CCN(C(C)=O)CC1 | 1,690,194,849 | [C][#C][C@][Branch1][C][C][C][C][C][N][Ring1][=Branch1][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][Ring1][N][C][C][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] |
CN1CC[C@H](CNC(=O)[C@@H](O)c2ccccc2)[C@@H]1c1ccc(Cl)c(F)c1 | 179,318,899 | [C][N][C][C][C@H1][Branch2][Ring1][Ring1][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=C][Ring1][Branch2] |
CC[C@H](C)n1nccc1C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1 | 1,120,973,470 | [C][C][C@H1][Branch1][C][C][N][N][=C][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][=C][Ring1][O] |
CCOC(=O)c1c(C)nc(O)nc1S[C@H]1CCO[C@H](c2ccncc2)C1 | 882,293,295 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][N][=C][Branch1][C][O][N][=C][Ring1][Branch2][S][C@H1][C][C][O][C@H1][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring1][N] |
C[C@@H](Cc1ccco1)C(=O)N1[C@H]2CC[C@@H]1C[C@@H]2NC(=O)C1(F)CCOCC1 | 997,539,879 | [C][C@@H1][Branch1][=Branch2][C][C][=C][C][=C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][C][C][O][C][C][Ring1][#Branch1] |
C#CCN(CC)Cc1ccc(C(N)=O)cc1 | 266,918,527 | [C][#C][C][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2] |
C[C@H](Cn1cncn1)NC(=O)C(=O)NCCCN1C(=O)NC2(CCCCC2)C1=O | 559,606,130 | [C][C@H1][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][N][C][=Branch1][C][=O][N][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][=O] |
COC(=O)Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)cc1 | 609,596,554 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N][C][=C][Ring2][Ring1][Branch2] |
Cc1cc(N)ccc1[S@@](=O)[C@H](C#N)C(C)C | 1,937,229,664 | [C][C][=C][C][Branch1][C][N][=C][C][=C][Ring1][#Branch1][S@@][=Branch1][C][=O][C@H1][Branch1][Ring1][C][#N][C][Branch1][C][C][C] |
COCCCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)N1CCC(C)CC1 | 1,109,050,118 | [C][O][C][C][C][C][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][C][C][Ring1][#Branch1] |
Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3cc(-c4nnc5n4CCCCC5)ccc3F)[nH]c2c1 | 590,844,626 | [C][C][=C][C][=C][N][=C][Branch2][Ring2][=Branch1][C@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][S][F][NH1][C][Ring2][Ring1][=C][=C][Ring2][Ring2][C] |
CC[C@H](NC(C)=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cccc(OC)c1F)C2 | 1,792,539,902 | [C][C][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][F][C][Ring2][Ring1][Ring1] |
COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H](NC(C)=O)C(C)C)CC2)cc1 | 599,270,058 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][Branch1][C][C][C][C][C][Ring1][S][C][=C][Ring2][Ring1][O] |
COCCOCCCCn1c([C@H]2CCCOC2)nnc1N1CCc2nn(C)c(=O)cc2C1 | 1,770,141,384 | [C][O][C][C][O][C][C][C][C][N][C][Branch1][=Branch2][C@H1][C][C][C][O][C][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][C][=N][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][Ring1][Branch2][C][Ring1][N] |
CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCN(C(=O)[C@@H]3CC[C@H]3C(N)=O)C2)C1 | 848,128,632 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][#Branch2][C@@H1][C][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C][C@H1][Ring1][Ring2][C][Branch1][C][N][=O][C][Ring1][#C][C][Ring2][Ring1][Branch1] |
COc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1C1CCN(C(=O)c2cc(F)ccc2C)CC1 | 1,830,110,824 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][C][Ring1][S] |
COCCOC(=O)c1ccc(NC(=O)C[C@@H]2NC(=O)N(c3ccc(OC)cc3)C2=O)cc1 | 1,874,704,832 | [C][O][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][C@@H1][N][C][=Branch1][C][=O][N][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][Ring1][=C][=O][C][=C][Ring2][Ring1][=Branch2] |
CCOc1ccc([C@@H](C)NC(=O)C(=O)N(C)C[C@H]2CCCN2C)cc1OCC | 1,117,998,590 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C@H1][C][C][C][N][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1][O][C][C] |
O=C(N[C@@H]1CCc2cc(O)ccc2C1)N[C@@H]1CCCN(CC(F)(F)F)C1=O | 683,574,613 | [O][=C][Branch2][Ring1][Ring1][N][C@@H1][C][C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][C][Ring1][O][N][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=O] |
CCc1nnc(N2CCC(CCCO)CC2)n1Cc1nnc2n1CCCCC2 | 1,546,472,459 | [C][C][C][=N][N][=C][Branch1][#C][N][C][C][C][Branch1][Branch1][C][C][C][O][C][C][Ring1][#Branch2][N][Ring1][#C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] |
CC[C@@H](C)[C@H](C)N(C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1)C1CC1 | 519,117,300 | [C][C][C@@H1][Branch1][C][C][C@H1][Branch1][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][S][C][=N][N][=C][N][Ring1][Branch1][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][S][C][C][C][Ring1][Ring1] |
Cn1cnc(S(=O)(=O)NNC(=O)C2CCC2)c1 | 1,338,826,448 | [C][N][C][=N][C][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][=C][Ring1][S] |
COCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1ccc(Br)cc1F)C2 | 1,795,594,543 | [C][O][C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][Ring2][Ring1][C] |
Cn1cnnc1[C@@H]1CCCN1C(=O)CSc1cccc(Br)c1 | 121,171,652 | [C][N][C][=N][N][=C][Ring1][Branch1][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][S][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1] |
CS(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CCC[C@@H](C(F)(F)F)C1 | 413,381,950 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2] |
CC(=O)c1cc(NC(=O)NC[C@H](NC(=O)OC(C)(C)C)C2CC2)ccc1F | 806,569,589 | [C][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1][=C][C][=C][Ring2][Ring1][#Branch1][F] |
N=C(O)OC[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(CC(F)(F)F)C1 | 840,275,920 | [N][=C][Branch1][C][O][O][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][N][C@H1][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2] |
CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3c2cnn3C)c1 | 31,594,855 | [C][C][N][Branch1][Ring1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][=C][Ring2][Ring1][Ring1] |
CC(=O)N[C@H](c1nc(Cc2cc(Cl)c3c(c2)OCCO3)no1)C1CCCC1 | 567,515,658 | [C][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][#C][C][=N][C][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][O][Ring1][#Branch1][=N][O][Ring1][P][C][C][C][C][C][Ring1][Branch1] |
Cc1cccc(C(=O)N2CCCC[C@@H]2C2CCN(C(=O)CCBr)CC2)c1 | 1,829,999,491 | [C][C][=C][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][C][Br][C][C][Ring1][O][=C][Ring2][Ring1][=Branch2] |
C=C(Cl)CNC1(CNC(=O)c2ncn3ccc(C)cc23)CCC1 | 1,402,552,715 | [C][=C][Branch1][C][Cl][C][N][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][N][=C][N][C][=C][C][Branch1][C][C][=C][C][=Ring1][#Branch2][Ring1][#Branch1][C][C][C][Ring2][Ring1][C] |
CC[C@H](NC(=O)[C@H](O)[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(S(N)(=O)=O)c1 | 1,567,755,946 | [C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C@H1][Branch1][C][O][C@@][Branch1][C][O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][#Branch2] |
COC(=O)N1CCC([C@H](C)NC(=O)NC2(Cc3cccc(F)c3)CCC2)CC1 | 188,941,311 | [C][O][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][#C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][C][Ring1][N][C][C][Ring2][Ring1][Branch2] |
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(SC2CCCC2)cc1 | 68,685,187 | [C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch2][S][C][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N] |
COCCn1c([C@@H]2CCOC2)nnc1N(C)Cc1ccn(-c2ccccc2)n1 | 802,511,620 | [C][O][C][C][N][C][Branch1][Branch2][C@@H1][C][C][O][C][Ring1][Branch1][=N][N][=C][Ring1][#Branch2][N][Branch1][C][C][C][C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][O] |
CC(C)C#CC(=O)N[C@@H]1CCC[C@@H]1CNCc1nc2ccccc2o1 | 1,272,263,376 | [C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@@H1][Ring1][Branch1][C][N][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2] |
CO[C@H](c1ccccc1Cl)[C@H](C)NS(=O)(=O)c1c[nH]nc1C(F)(F)F | 1,663,097,230 | [C][O][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][Branch1][C][F][Branch1][C][F][F] |
O=C1CC[C@@H](c2cccc(NC(=O)NC[C@@H]3CS(=O)(=O)c4ccccc43)c2)N1 | 1,625,644,321 | [O][=C][C][C][C@@H1][Branch2][Ring2][#Branch1][C][=C][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][=C][Ring2][Ring1][=Branch1][N][Ring2][Ring1][O] |
CCN(CC#N)C[C@@]12CC[C@@](C(F)F)(CO1)C2 | 2,250,067,882 | [C][C][N][Branch1][Ring2][C][C][#N][C][C@@][C][C][C@@][Branch1][=Branch1][C][Branch1][C][F][F][Branch1][Branch1][C][O][Ring1][=Branch2][C][Ring1][#Branch2] |