smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
COCCN(Cc1ccc(C)cc1C)C(=O)c1cc2c(nc1O)CCCC2=O | 642,059,756 | [C][O][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N][=C][Ring1][=Branch1][O][C][C][C][C][Ring1][=Branch2][=O] |
CS(=O)(=O)NC1CC(NC(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)C1 | 669,888,073 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][Ring2][Ring1][#Branch1] |
CN1CCN(C[C@@H](NC(=O)/C=C\CN(C)CC(F)(F)F)c2ccccc2)CC1 | 815,330,955 | [C][N][C][C][N][Branch2][Ring2][Ring1][C][C@@H1][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][/C][=C][\C][N][Branch1][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][O] |
COC(=O)C#Cc1cc2sccc2s1 | 87,795,328 | [C][O][C][=Branch1][C][=O][C][#C][C][=C][C][S][C][=C][C][=Ring1][Branch1][S][Ring1][Branch2] |
COC[C@H]1CCN1C(=O)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cc1 | 432,639,294 | [C][O][C][C@H1][C][C][N][Ring1][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1] |
Cc1nn2cc(CCNC(=O)c3cn(CCCc4ccccc4)nn3)nc2s1 | 12,306,432 | [C][C][=N][N][C][=C][Branch2][Ring1][N][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=N][Ring1][=C][N][=C][Ring2][Ring1][Branch2][S][Ring2][Ring1][O] |
CCc1onc(-c2ccccc2Cl)c1C(=O)OCCc1nnc(COC)o1 | 851,444,074 | [C][C][C][O][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][=Branch1][C][=O][O][C][C][C][=N][N][=C][Branch1][Ring2][C][O][C][O][Ring1][Branch2] |
C#C[C@@H](NCC)[C@](O)(c1cccs1)C(C)C | 1,921,153,984 | [C][#C][C@@H1][Branch1][Ring2][N][C][C][C@][Branch1][C][O][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][C][Branch1][C][C][C] |
O=C(NC[C@H](OCC1CC1)c1ccc(Cl)cc1)N1C[C@@H]2C[C@H]3C[C@H]2[C@@H]1[C@H]3O | 580,483,771 | [O][=C][Branch2][Ring1][Branch2][N][C][C@H1][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C@@H1][C][C@H1][C][C@H1][Ring1][Branch1][C@@H1][Ring1][Branch2][C@H1][Ring1][Branch1][O] |
Cc1conc1C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2C(=O)C(C)(C)C1CCOCC1 | 1,000,375,381 | [C][C][=C][O][N][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][N][Ring1][Branch1][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][C][C][Ring1][=Branch1] |
C=C(C)C(C)(C)C(=O)N(C)CC[C@H](NC(=O)c1ccn(C)n1)C(C)C | 1,509,237,972 | [C][=C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][C][C][N][=Ring1][=Branch1][C][Branch1][C][C][C] |
COc1cc(F)cc(C[C@@H](C)N[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c1 | 453,393,156 | [C][O][C][=C][C][Branch1][C][F][=C][C][Branch2][Ring1][P][C][C@@H1][Branch1][C][C][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][Ring2][Ring1][=Branch2] |
CN(C)S(=O)(=O)CCCS(=O)(=O)NCCNC(=O)c1ccc(Cl)cc1 | 447,789,997 | [C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
C[C@@H](CC1CN(C(=O)OC(C)(C)C)C1)Nc1c([N+](=O)[O-])ccc(F)c1Br | 2,106,028,940 | [C][C@@H1][Branch2][Ring1][#Branch1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][O][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][C][Branch1][C][F][=C][Ring1][#Branch2][Br] |
CSc1cccnc1C(=O)Nc1ccccc1-n1cnc(C#N)n1 | 1,535,095,995 | [C][S][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=N][C][Branch1][Ring1][C][#N][=N][Ring1][#Branch1] |
Cc1n[nH]c(C)c1CN=c1nc(C2CCN(C(=O)OC(C)(C)C)CC2)[nH]n1C | 794,959,194 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][N][=C][N][=C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][NH1][N][Ring2][Ring1][C][C] |
Cc1cccc([C@H](CC(=O)Nc2cc([C@H]3CCCCN3C(=O)C(C)C)[nH]n2)NC(=O)OC(C)(C)C)c1 | 1,816,657,433 | [C][C][=C][C][=C][C][Branch2][Branch1][Ring2][C@H1][Branch2][Ring2][C][C][C][=Branch1][C][=O][N][C][C][=C][Branch2][Ring1][C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][C][C][NH1][N][=Ring1][S][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring2][Ring2][Ring1] |
C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)C(=O)N[C@@H]1CCOC(C)(C)C1 | 287,694,452 | [C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@H1][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][C][C][O][C][Branch1][C][C][Branch1][C][C][C][Ring1][Branch2] |
CCn1cc(C(=O)N2CCC[C@H]([C@H]3CCN(C(=O)OC(C)(C)C)C3)C2)nn1 | 821,863,990 | [C][C][N][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch2][Ring1][#Branch1][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N][C][Ring2][Ring1][C][N][=N][Ring2][Ring1][=Branch2] |
COCC[C@@H](NC(=O)NCc1ccc(C#N)c(OC)c1)c1ccco1 | 357,948,522 | [C][O][C][C][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][C][=C][O][Ring1][Branch1] |
O=C(NCCCOc1cccc(F)c1)[C@H](O)[C@@H](O)c1nc2ccccc2s1 | 891,241,040 | [O][=C][Branch1][P][N][C][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C@H1][Branch1][C][O][C@@H1][Branch1][C][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2] |
CC(C)c1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCc2nc(C(C)(C)C)n[nH]2)cc1 | 1,556,968,378 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C@H1][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=N][NH1][Ring1][=Branch2][C][=C][Ring2][Ring1][N] |
CO[C@H](C)Cn1c(Cc2ccccn2)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 | 1,618,943,700 | [C][O][C@H1][Branch1][C][C][C][N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][N][N][C][C@H1][Branch1][C][C][C@H1][Branch1][S][N][C][C][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2][C][Ring1][#C] |
CS(=O)(=O)Cc1nc(CS(=O)(=O)Cc2ccc(Cl)cc2)cs1 | 462,962,908 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=N][C][Branch2][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=C][S][Ring1][P] |
O=C1NC2(CCCC2)C(=O)N1CCCCN[C@@H](Cc1ccccc1)C(F)F | 480,736,275 | [O][=C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][Ring1][#Branch2][C][C][C][C][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][F] |
C[C@H](NC(=O)N[C@H]1CCCc2c1cnn2C)[C@@H]1CN(Cc2ccccc2)CCO1 | 525,491,877 | [C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C@H1][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][Ring1][=N] |
CC/C=C(\C)C(=O)NC1(c2ccc(NC(=O)[C@@H]3[C@@H]4CC[C@H]3CN(C(=O)OC(C)(C)C)C4)cc2)CCC1 | 1,791,443,339 | [C][C][/C][=C][Branch1][C][\C][C][=Branch1][C][=O][N][C][Branch2][Ring2][=N][C][=C][C][=C][Branch2][Ring1][P][N][C][=Branch1][C][=O][C@@H1][C@@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][Branch2][C][C][C][Ring2][Ring1][N] |
CNC(=O)c1cc(C)ccc1NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 | 265,929,618 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch1][=Branch1][C][Branch1][C][C][=O][C][C][Ring1][=Branch2] |
O=C(NC1CCN(C(=O)/C=C\c2ccc(-c3ccc(F)cc3)s2)CC1)c1ccc(F)cc1 | 213,350,393 | [O][=C][Branch2][Ring2][Branch2][N][C][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][/C][=C][\C][=C][C][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][N][C][C][Ring2][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
C[C@H](C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccn2ccnc2c1)n1cccn1 | 1,798,106,882 | [C][C@H1][Branch2][Ring2][Branch1][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][N][C][=C][N][=C][Ring1][Branch1][C][=Ring1][=Branch2][N][C][=C][C][=N][Ring1][Branch1] |
C/C=C(/C)C(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(Cl)ncn2)C1 | 1,779,898,698 | [C][/C][=C][Branch1][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][Branch1][C][Cl][=N][C][=N][Ring1][#Branch1][C][Ring2][Ring1][Branch1] |
C[C@@H]1CCS(=O)(=O)CCN1CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] | 839,581,097 | [C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][=Branch2][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1] |
CNS(=O)(=O)c1ccc(S(=O)(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)cc1 | 754,045,612 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][Ring1][C][O][C][C@@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][=Branch1] |
CC[C@H](O)CCNC(=O)NCc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1 | 479,455,608 | [C][C][C@H1][Branch1][C][O][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][=C][Ring1][S] |
CCCN(CCC)c1nnc(-c2ccccc2OC)n1CC(C)(C)C(=O)NC | 1,745,636,263 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=N][N][=C][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][N][Ring1][=N][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C] |
C[C@H](O)c1ccc(N2C[C@H]3CN(Cc4ccccc4)C[C@@]3(C)C2)cc1Br | 702,049,601 | [C][C@H1][Branch1][C][O][C][=C][C][=C][Branch2][Ring1][O][N][C][C@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@][Ring1][N][Branch1][C][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][Br] |
C[C@@H](C(=O)O)c1cccc(NC(=O)C(=O)N2CC(C)(C)[C@@H]2c2nccn2C)c1 | 1,609,643,966 | [C][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch1][C][C][C@@H1][Ring1][=Branch1][C][=N][C][=C][N][Ring1][Branch1][C][=C][Ring2][Ring1][#Branch1] |
CC(=O)N(C)[C@@H](C)C(=O)N1CCOC[C@]2(C1)CN(C(=O)C1(C#N)CC1)CCO2 | 1,835,342,596 | [C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][O][C][C@][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][C][Branch1][Ring1][C][#N][C][C][Ring1][Branch1][C][C][O][Ring1][=C] |
CCCOc1ccc([C@@H](C)NC(=O)NCCc2nnc(C)s2)cc1OC | 572,086,417 | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][C][=N][N][=C][Branch1][C][C][S][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2][O][C] |
C[C@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)CC[C@H]1C | 498,959,925 | [C][C@H1][C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][O][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][=N][C][Ring1][S][C][C][C@H1][Ring2][Ring1][O][C] |
COCCC1(CNC(=O)C(=O)Nc2cc(C)n(-c3ccccc3)n2)CCCCC1 | 478,177,763 | [C][O][C][C][C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=Ring1][N][C][C][C][C][C][Ring2][Ring1][=Branch2] |
CCOc1cccc(CNC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)c1 | 180,473,779 | [C][C][O][C][=C][C][=C][C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][C][C][C][=C][Ring1][N][=C][Ring2][Ring1][#Branch1] |
O=C(NC[C@H]1C=CCC1)C(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1 | 890,479,908 | [O][=C][Branch1][#Branch2][N][C][C@H1][C][=C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][S][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2][S][Ring1][=C] |
COC(=O)[C@H]1CN(C)C(=O)CN1CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1 | 1,460,905,312 | [C][O][C][=Branch1][C][=O][C@H1][C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][Ring1][Branch2][C][C][=Branch1][C][=O][N][Branch2][Ring1][Ring2][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][C][C][Ring1][Ring1] |
C[C@H](Oc1cccnc1)C(=O)N[C@]1(CNC(=O)OC(C)(C)C)CCCC[C@@H]1C | 735,469,937 | [C][C@H1][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][C][C@@H1][Ring1][#C][C] |
O=C(c1cc2cccn2cn1)N1CCC([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)CC1 | 1,828,400,355 | [O][=C][Branch1][=C][C][=C][C][=C][C][=C][N][Ring1][Branch1][C][=N][Ring1][=Branch2][N][C][C][C][Branch2][Ring1][=N][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C@H1][C][C@H1][Ring1][Ring1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring2][Ring1][Branch2] |
O=C(Cn1ncn2nccc2c1=O)Nc1cccc(OCCc2ccccc2)c1 | 112,237,558 | [O][=C][Branch1][S][C][N][N][=C][N][N][=C][C][=C][Ring1][Branch1][C][Ring1][=Branch2][=O][N][C][=C][C][=C][C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C] |
CC1(C(=O)N[C@H]2CCc3nc(NC(=O)[C@H](N)c4ccccn4)sc3C2)CCC1 | 1,815,004,303 | [C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C@H1][C][C][C][N][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][S][C][=Ring1][S][C][Ring2][Ring1][Ring2][C][C][C][Ring2][Ring1][O] |
CCC(CC)NC(=O)c1nnc(N(C)CC)n1C[C@H]1CCCN(CC(C)C)C1 | 1,744,013,041 | [C][C][C][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][#Branch1][N][Branch1][C][C][C][C][N][Ring1][=Branch2][C][C@H1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2] |
COC(=O)[C@H]1CC12CCN(c1nc(Nc3ccccc3)c3nc[nH]c3n1)CC2 | 596,128,573 | [C][O][C][=Branch1][C][=O][C@H1][C][C][Ring1][Ring1][C][C][N][Branch2][Ring1][=Branch2][C][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][=C][NH1][C][Ring1][Branch1][=N][Ring1][S][C][C][Ring2][Ring1][=Branch1] |
COc1cc(OC)cc(N2CC[C@H](N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)C2)c1 | 1,474,033,730 | [C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch2][Ring1][S][N][C][C][C@H1][Branch2][Ring1][Branch1][N][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][N][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O] |
COCCOc1ncccc1CNC(=O)NCCn1c(C)nc2ccccc21 | 298,791,823 | [C][O][C][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][N][C][Branch1][C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
N#Cc1cnc(OCCOC(F)F)c(Cl)c1 | 2,242,778,243 | [N][#C][C][=C][N][=C][Branch1][#Branch2][O][C][C][O][C][Branch1][C][F][F][C][Branch1][C][Cl][=C][Ring1][=C] |
COC(=O)c1cn([C@@H]2CCN(c3nnc([C@H]4CC=CCC4)n3CC3CC3)C2)nn1 | 1,345,797,488 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][Ring1][C@@H1][C][C][N][Branch2][Ring1][Branch2][C][=N][N][=C][Branch1][=Branch2][C@H1][C][C][=C][C][C][Ring1][=Branch1][N][Ring1][O][C][C][C][C][Ring1][Ring1][C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][=Branch2] |
COc1ccc(C(=O)N(Cc2cccs2)[C@@H]2C=C[C@H](CO)C2)nc1Cl | 805,326,960 | [C][O][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][=Branch2][C][C][=C][C][=C][S][Ring1][Branch1][C@@H1][C][=C][C@H1][Branch1][Ring1][C][O][C][Ring1][#Branch1][N][=C][Ring2][Ring1][=Branch1][Cl] |
CCOC(=O)N1CC[C@@H](NC(=O)N[C@@H](C)c2cccc(OC(F)(F)F)c2)C1 | 770,438,982 | [C][C][O][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O][C][Ring2][Ring1][=Branch1] |
CC(C)c1ccc(CC(=O)N2C[C@@H]3COC[C@H](C2)[C@@H]3NC(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1 | 1,799,486,290 | [C][C][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][N][C][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][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#C] |
CSCC[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1)C(=O)NCCc1cnc[nH]1 | 1,861,602,237 | [C][S][C][C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][NH1][Ring1][Branch1] |
COc1ccccc1-c1ncc(CN(C)CC(=O)Nc2cccc(F)c2)cn1 | 430,011,835 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][=C][Branch2][Ring1][#Branch1][C][N][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=N][Ring2][Ring1][Ring2] |
Cc1nc(NC(=O)CN(C)[C@@H]2CCC[C@H]2O)sc1Cc1c(F)cccc1F | 1,634,246,328 | [C][C][N][=C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][O][S][C][=Ring1][P][C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F] |
O=C(c1cc2ccc(Br)cc2s1)N1CCN(C(=O)C2CC2)CC1 | 578,602,523 | [O][=C][Branch1][P][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][S][Ring1][#Branch2][N][C][C][N][Branch1][#Branch2][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][C][Ring1][O] |
COCCN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)Oc2cccc(F)c2)CC1=O | 1,519,213,828 | [C][O][C][C][N][C][C][N][Branch2][Ring2][C][C][=N][N][=C][Branch1][Branch2][C@H1][C][C][O][C][Ring1][Branch1][N][Ring1][#Branch2][C][C@H1][Branch1][C][C][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][Ring2][Ring1][O][=O] |
CCOC(=O)C(CC)(CC)NCC(=O)Nc1ccccc1C(=O)NC1CC1 | 1,473,508,602 | [C][C][O][C][=Branch1][C][=O][C][Branch1][Ring1][C][C][Branch1][Ring1][C][C][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1] |
CCOC(=O)N1C[C@@H](CO)[C@@H](NC(=O)c2c[nH]c3ccc(Br)cc3c2=O)C1 | 1,653,462,260 | [C][C][O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][Ring1][C][O][C@@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][NH1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][O][=O][C][Ring2][Ring1][=Branch1] |
Cc1ccc(NC(=O)c2cnc(CNC(=O)OC(C)(C)C)nc2)cc1C(N)=O | 1,443,168,554 | [C][C][=C][C][=C][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][=C][Ring1][#C][C][=C][Ring2][Ring1][Branch2][C][Branch1][C][N][=O] |
CN(Cc1ccccc1N1CCCC1)C(=O)[C@H]1CCCO[C@H]1c1cnn(C)c1 | 1,551,947,042 | [C][N][Branch1][P][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][C@H1][C][C][C][O][C@H1][Ring1][=Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] |
O=C(CCOc1ccc(Cl)cc1)N1CCN(S(=O)(=O)NCC(F)(F)F)CC1 | 1,851,990,276 | [O][=C][Branch1][#C][C][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][N][Branch2][Ring1][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#C] |
C[C@@H](NC(=O)C1CCCCC1)C(=O)NCCCN(C(=O)C1CCC1)C1CC1 | 596,147,525 | [C][C@@H1][Branch1][=C][N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][O][C][=Branch1][C][=O][C][C][C][C][Ring1][Ring2][C][C][C][Ring1][Ring1] |
CCCCN(Cc1ccccc1O)C(=O)Cn1ncnn1 | 1,123,781,786 | [C][C][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Branch1][C][=O][C][N][N][=C][N][=N][Ring1][Branch1] |
COCC[S@@](=O)Cc1cccc(NC(=O)N(C)[C@H](C)c2ccncc2)c1 | 117,018,189 | [C][O][C][C][S@@][=Branch1][C][=O][C][C][=C][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][N][Branch1][C][C][C@H1][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1] |
CN(c1nnc(CC(C)(C)C)n1C[C@H]1CCOC1)[C@@H]1CCCc2c1cnn2C | 643,039,168 | [C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][#Branch2][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][C@@H1][C][C][C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C] |
Cc1ccc(C(=O)Nc2ccc(C3(NC(=O)c4cn5ccc(Cl)cc5n4)CCC3)cc2)cc1 | 1,790,316,316 | [C][C][=C][C][=C][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][N][C][=C][C][Branch1][C][Cl][=C][C][Ring1][#Branch1][=N][Ring1][#Branch2][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][S] |
Cc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1CC[C@@H](C)N1CCCCC1 | 1,742,854,620 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][O][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][N][Ring2][Ring1][C][C][C][C@@H1][Branch1][C][C][N][C][C][C][C][C][Ring1][=Branch1] |
CN(C)c1nc(O)cc(C(=O)Nc2ccc(F)cc2OC2CCOCC2)n1 | 561,127,504 | [C][N][Branch1][C][C][C][=N][C][Branch1][C][O][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][C][C][O][C][C][Ring1][=Branch1][=N][Ring2][Ring1][Branch2] |
COc1cc(C(=O)OCC(=O)c2cccc(-c3nn[nH]n3)c2)cc2c1O[C@H](C)C2 | 826,177,639 | [C][O][C][=C][C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][=C][C][=C][Ring2][Ring1][#Branch1][O][C@H1][Branch1][C][C][C][Ring1][=Branch1] |
CC(=O)Nc1ccc(F)c(C(=O)O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 | 919,740,347 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][N][C][=Branch1][C][=O][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch2] |
CCn1cccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCC(N(C)C(C)=O)CC2)c1=O | 1,765,340,421 | [C][C][N][C][=C][C][=C][Branch2][Ring2][=Branch1][C][N][C][Branch1][=Branch2][C@@H1][C][C][C][O][C][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][C][Branch1][#Branch2][N][Branch1][C][C][C][Branch1][C][C][=O][C][C][Ring1][O][C][Ring2][Ring1][=N][=O] |
C=CCC1(C(=O)N[C@H](C)CNC(=O)[C@@H]2CCO[C@H]2C2CC2)CCCC1 | 1,284,299,381 | [C][=C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][C][C][O][C@H1][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][C][C][Ring2][Ring1][=Branch1] |
CCc1ccc(C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)cc1S(C)(=O)=O | 498,269,540 | [C][C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2][S][Branch1][C][C][=Branch1][C][=O][=O] |
CNC(=O)C1CCC(NC(=O)N(C)CCCOc2cccc(Cl)c2)CC1 | 63,330,402 | [C][N][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch1] |
CN(C[C@H](O)CN1CCN(Cc2ccccc2Cl)CC1)CC(F)(F)F | 1,191,531,511 | [C][N][Branch2][Ring1][O][C][C@H1][Branch1][C][O][C][N][C][C][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][C][Ring1][=C][C][C][Branch1][C][F][Branch1][C][F][F] |
COc1cc(N)c(Cl)cc1C(=O)N(C)[C@@H]1CCN(C2CCN(C)CC2)C1 | 852,912,652 | [C][O][C][=C][C][Branch1][C][N][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][C][C][N][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N] |
CC(C)(C)ONC(=O)c1ccc(F)c(B2OC(C)(C)C(C)(C)O2)c1 | 2,255,528,954 | [C][C][Branch1][C][C][Branch1][C][C][O][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][=C][Ring1][S] |
NC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2ccccc2Br)cc1 | 1,858,970,985 | [N][C][=Branch1][C][=O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][P][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Br][C][=C][Ring2][Ring1][C] |
CCc1ccc(CNC(=O)COC(=O)C[S@](=O)c2cccc(OC)c2)s1 | 821,360,180 | [C][C][C][=C][C][=C][Branch2][Ring1][=C][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][S@][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][S][Ring2][Ring1][Branch2] |
Cc1cc(C(N)=O)ccc1NC(=O)N1CCC(CN(C)Cc2ccccc2)CC1 | 727,589,039 | [C][C][=C][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][C][=C][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][C][Branch1][#C][C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S] |
Cc1ccccc1CN1CCC(CN(C[C@@H]2CCCO2)C(=O)CCn2cncn2)CC1 | 11,945,153 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][Branch2][Ring1][#Branch2][C][N][Branch1][=Branch2][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][C][C][N][C][=N][C][=N][Ring1][Branch1][C][C][Ring2][Ring1][#Branch1] |
N#C[C@@]1(C2CC2)CCCOCC1 | 885,278,243 | [N][#C][C@@][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][C][C][O][C][C][Ring1][#Branch2] |
COc1ccc(Cl)cc1Cn1c(CC2CC2)nnc1N(C)C[C@H]1CCOC1 | 1,315,510,085 | [C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=Branch2][N][Branch1][C][C][C][C@H1][C][C][O][C][Ring1][Branch1] |
CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1cc(Cn2cc(Br)cn2)on1 | 154,567,470 | [C][C][Branch1][C][C][C@H1][O][C][C][C@H1][Ring1][Branch1][C@H1][Ring1][Branch2][N][C][=Branch1][C][=O][C][C][=C][Branch1][N][C][N][C][=C][Branch1][C][Br][C][=N][Ring1][=Branch1][O][N][=Ring1][N] |
CN1CC[C@H]([C@H](C#N)C2CCCCC2)C1=O | 257,800,270 | [C][N][C][C][C@H1][Branch1][=C][C@H1][Branch1][Ring1][C][#N][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][=C][=O] |
O=C(c1ccc(N2CCOCC2)cc1)N1Cc2ccc(Br)cc2C1 | 765,207,487 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][Ring1][#Branch2] |
Cn1nc(C2CC2)cc1C(=O)Nc1cc(-c2nn[nH]n2)ccc1OC(F)F | 1,592,594,302 | [C][N][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][O][C][Branch1][C][F][F] |
CC(C)c1c(C(=O)OCC(=O)[C@@H]2CCOC2)cnn1-c1cccc(Cl)c1 | 762,860,605 | [C][C][Branch1][C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][C@@H1][C][C][O][C][Ring1][Branch1][C][=N][N][Ring1][S][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1] |
CC(C)[C@H](NC(=O)C(=O)NC[C@@H](C)CN1CCCCC1)c1ccccc1Cl | 497,970,607 | [C][C][Branch1][C][C][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N[C@@H](C(=O)O)[C@H]1CCCOC1 | 574,677,214 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][O][C][C][C][O][Ring1][Branch2][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C][C][O][C][Ring1][=Branch1] |
O=C(O)c1cc(S(=O)(=O)N(Cc2ccsc2)c2cccnc2)cs1 | 833,300,520 | [O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][=Branch2][C][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][S][Ring2][Ring1][Branch1] |
C[C@H](/C=C/C(=O)O)NC(=O)C[C@H]1CCN(C(=O)OC(C)(C)C)c2ccccc21 | 1,592,191,476 | [C][C@H1][Branch1][Branch2][/C][=C][/C][=Branch1][C][=O][O][N][C][=Branch1][C][=O][C][C@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][P] |
Cc1noc(C(C)C)c1C(=O)NC[C@H](CC(C)C)NC(=O)[C@@H](C)C#N | 1,451,748,634 | [C][C][=N][O][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][N][C][C@H1][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][#N] |
C[C@@H]1CN(C(=O)NCCCc2c[nH]c3ccc(F)cc23)C[C@@]2(CCCOC2)O1 | 508,626,902 | [C][C@@H1][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][C][=C][NH1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C@@][Branch1][Branch2][C][C][C][O][C][Ring1][=Branch1][O][Ring2][Ring1][O] |