smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
O=C(NC1(C(F)(F)F)CCOCC1)N1CCCN(CC(F)(F)F)CC1 | 932,284,591 | [O][=C][Branch2][Ring1][Ring2][N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][O][C][C][Ring1][#Branch2][N][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][N] |
Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1NCC(=O)NCc1cc(F)cc(F)c1 | 933,810,413 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C@@H1][O][C][C][C@H1][Ring1][Branch1][N][C][C][=Branch1][C][=O][N][C][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2] |
CC(C)(C)[S@@](=O)CCn1c(CC2CC2)nnc1N1CCc2ccccc2C1 | 1,691,326,179 | [C][C][Branch1][C][C][Branch1][C][C][S@@][=Branch1][C][=O][C][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=Branch2][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2] |
Cc1nn(C)c(C)c1OCc1nc(-c2cccc(NS(C)(=O)=O)c2)no1 | 273,666,657 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][O][C][C][=N][C][Branch2][Ring1][Ring2][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][=N][O][Ring1][S] |
CCNC(=O)N1CCC(C(=O)O[C@H]2CON(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1 | 1,855,776,972 | [C][C][N][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][C][C][=Branch1][C][=O][O][C@H1][C][O][N][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][#C][C][C][Ring2][Ring1][Branch2] |
COc1ccc(CC(=O)O[C@H]2CCCN(c3cccc(F)c3)C2=O)cc1F | 734,564,194 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C][=Branch1][C][=O][O][C@H1][C][C][C][N][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=O][C][=C][Ring2][Ring1][Branch2][F] |
C=CC[C@H](C)[C@@H](NC)[C@H](O)CCCC | 1,929,392,484 | [C][=C][C][C@H1][Branch1][C][C][C@@H1][Branch1][Ring1][N][C][C@H1][Branch1][C][O][C][C][C][C] |
CCO[C@H]1C[C@@H](NC(=O)COc2ccc(Br)cn2)C12CCCCC2 | 1,147,191,639 | [C][C][O][C@H1][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][Ring1][S][C][C][C][C][C][Ring1][=Branch1] |
C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCCO2)c1nnnn1-c1ccccc1 | 604,600,432 | [C][C@@H1][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COCCOc1cc(OC)ccc1C(=O)O[C@@H]([C@@H]1CCCOC1)C(F)(F)F | 279,722,982 | [C][O][C][C][O][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C@@H1][Branch1][=Branch2][C@@H1][C][C][C][O][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F] |
COC(=O)c1nccc2c(S(=O)(=O)NC3(CC(=O)O)CCCC3)cccc12 | 1,610,220,204 | [C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch2][Ring1][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][C][C][Ring1][=Branch2][C][=C][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][Ring1] |
O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)NCc1nncn1C1CC1 | 285,396,780 | [O][=C][Branch2][Ring1][=Branch1][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1] |
Cn1cc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C2CC2)n1 | 291,624,440 | [C][N][C][=C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][=Branch2] |
C#Cc1ccccc1NC(=O)C1[C@@H]2CC[C@@H]12 | 1,901,514,685 | [C][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C@@H1][C][C][C@@H1][Ring1][Branch1][Ring1][Ring2] |
C[C@@H](CN(C)C(=O)c1ccc(OCc2ccccc2)cc1)C(N)=NO | 310,874,910 | [C][C@@H1][Branch2][Ring1][=C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][C][Branch1][C][N][=N][O] |
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)NC[C@@H]1CCCN(CC(C)C)C1 | 554,755,520 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch1][#Branch1][C][C][Branch1][C][C][C][C][Ring1][#Branch2] |
C=CCOCCN1CCC2(CC1)CN(C(=O)[C@@H]1CC3CCC1CC3)C2 | 1,700,110,569 | [C][=C][C][O][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1][C][Ring1][S] |
CCCCc1nc(-c2cccc(OS(=O)(=O)C[C@@H]3CCCCO3)c2)no1 | 134,144,600 | [C][C][C][C][C][=N][C][Branch2][Ring1][=N][C][=C][C][=C][C][Branch2][Ring1][C][O][S][=Branch1][C][=O][=Branch1][C][=O][C][C@@H1][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][P][=N][O][Ring2][Ring1][=Branch1] |
CC(C)O[C@@]1(c2nnc(N(C)Cc3cnn(C)c3)n2CCCN2CCOC2=O)CCOC1 | 1,741,717,598 | [C][C][Branch1][C][C][O][C@@][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][S][N][Branch1][C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][N][Ring1][=C][C][C][C][N][C][C][O][C][Ring1][Branch1][=O][C][C][O][C][Ring2][Ring1][N] |
C#CCCOC(=O)Oc1ccc(C#N)c(OC)c1 | 1,668,930,432 | [C][#C][C][C][O][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2] |
CC(C)(C)C[C@H](NC(=O)c1ccc2c(=O)n3c(nc2c1)CCC3)C(F)(F)F | 537,592,607 | [C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][C][=Branch1][Branch2][=N][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][Ring1][Branch2][C][Branch1][C][F][Branch1][C][F][F] |
C[C@@H]1C[C@@H](NC(=O)NCCNc2cccc(Br)c2)c2nccn21 | 570,295,683 | [C][C@@H1][C][C@@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][N][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][=N][C][=C][N][Ring1][Branch1][Ring2][Ring1][=Branch1] |
O=C(O)[C@@H]1CN(C(=O)[C@H](c2ccccc2)N2CCC(O)CC2)Cc2ccccc21 | 909,424,625 | [O][=C][Branch1][C][O][C@@H1][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
C[C@H](O)C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 | 448,416,335 | [C][C@H1][Branch1][C][O][C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=N][N][Branch1][=C][C][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C][C][=Ring1][=C] |
COc1ccc(C(=O)NNC(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C)C)cc1 | 1,253,427,781 | [C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][N][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Branch1][C][C][C][C][=C][Ring2][Ring1][O] |
CCn1ccnc1[C@H]1OCCC[C@@H]1NC(=O)c1cc(OC(F)F)ccc1F | 529,088,886 | [C][C][N][C][=C][N][=C][Ring1][Branch1][C@H1][O][C][C][C][C@@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F] |
Cc1c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCN(c3ccccc3)CC2)cccc1C(F)(F)F | 1,793,031,577 | [C][C][=C][Branch2][Ring2][#Branch2][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][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=C][C][=C][Ring2][Ring1][#C][C][Branch1][C][F][Branch1][C][F][F] |
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1=O | 1,294,009,190 | [C][C][=N][N][Branch1][=C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][Branch1][C][C][=C][Ring1][=N][N][C][=Branch1][C][=O][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][O][=O] |
O=C(O)C(=Cc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 | 2,053,511,229 | [O][=C][Branch1][C][O][C][=Branch1][P][=C][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][S][Ring1][=C] |
CSc1cccc(NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)c1C | 539,347,316 | [C][S][C][=C][C][=C][C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=C][C][=C][C][=Ring1][=N][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1][C] |
O=C(NCc1ccccc1-c1ccc(Cn2cncn2)cc1)N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 | 619,352,263 | [O][=C][Branch2][Ring1][=N][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][=Branch2][C][N][C][=N][C][=N][Ring1][Branch1][C][=C][Ring1][N][N][C][C][C][C@@H1][Branch1][=C][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2][C][Ring1][#C] |
CC(C)(C)OC(=O)N1CC(O)(CN(Cc2ccccc2)C(=O)[C@@H]2COC[C@@H]2C(=O)O)C1 | 2,300,856,652 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][Branch2][Ring1][=C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C@@H1][C][O][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][Branch2] |
O=C(NCc1ccc(COC2CCOCC2)cc1)C(=O)N1C[C@H]2CCC[C@H]2C1 | 1,119,859,216 | [O][=C][Branch2][Ring1][#Branch1][N][C][C][=C][C][=C][Branch1][O][C][O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][C][=Branch1][C][=O][N][C][C@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][Branch2] |
C=CCOCCN1Cc2ccccc2C[C@@H]1CNC(=O)C=C1CCC1 | 1,717,244,458 | [C][=C][C][O][C][C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][C][C][C][Ring1][Ring2] |
CN(Cc1ccccc1)CC(C)(C)NCCCN1C(=O)c2ccccc2C1=O | 534,557,767 | [C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] |
COc1ccc(C[C@H]2CCCN(C(=O)Nc3ccn(CCN(C)C)n3)C2)cc1 | 369,783,526 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][C@H1][C][C][C][N][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][Branch2][C][C][N][Branch1][C][C][C][N][=Ring1][#Branch2][C][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][#Branch2] |
CC[C@]1(F)CCN(c2nnc(C)c(C)c2C#N)C1 | 1,925,551,219 | [C][C][C@][Branch1][C][F][C][C][N][Branch1][P][C][=N][N][=C][Branch1][C][C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N][C][Ring1][S] |
CNC(=O)c1cc(S(=O)(=O)N[C@H]2[C@H](C)N(C(=O)OC(C)(C)C)CC[C@H]2C)cn1C | 796,232,958 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][C@H1][Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C@H1][Ring1][=C][C][=C][N][Ring2][Ring1][Branch2][C] |
CC(C)n1cc([C@@H]2OCC[C@H]2NC(=O)N[C@H]2CCOC3(CCCCC3)C2)cn1 | 664,476,522 | [C][C][Branch1][C][C][N][C][=C][Branch2][Ring1][#C][C@@H1][O][C][C][C@H1][Ring1][Branch1][N][C][=Branch1][C][=O][N][C@H1][C][C][O][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][C][Ring1][O][C][=N][Ring2][Ring1][=Branch2] |
COC(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 | 478,797,778 | [C][O][C][=Branch1][C][=O][C][N][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][N][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][=C] |
COCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC1(O)CCC(C)CC1 | 856,474,579 | [C][O][C][C][C@H1][Branch1][S][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][C][Branch1][C][C][C][C][Ring1][Branch2] |
Cc1cc(O)nc2cc(C(=O)Nc3ccc(CCN4CCOCC4)cc3)ccc12 | 288,453,857 | [C][C][=C][C][Branch1][C][O][=N][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=C][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][#Branch1] |
CC(C)Nc1ccc(Br)cc1NC(=O)c1ccnc2[nH]c(O)nc12 | 1,621,224,839 | [C][C][Branch1][C][C][N][C][=C][C][=C][Branch1][C][Br][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] |
CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)c1ccnc2ccnn12 | 627,765,368 | [C][C][C@H1][Branch1][C][C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][C][=N][N][Ring1][=Branch2][Ring1][Branch1] |
CC(C)(O)CN1CC[C@H](NC(=O)c2ccc(S(=O)(=O)NCc3cccs3)cc2)C1 | 1,648,588,380 | [C][C][Branch1][C][C][Branch1][C][O][C][N][C][C][C@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][P][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=C][S][Ring1][Branch1][C][=C][Ring1][S][C][Ring2][Ring1][Branch2] |
CO[C@](C)(CS(=O)(=O)NC(=O)[C@H](C)c1ccc(F)cc1F)c1ccccc1 | 1,324,568,277 | [C][O][C@][Branch1][C][C][Branch2][Ring1][=C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)C(=O)Nc1cccc(OCCF)c1 | 130,551,367 | [C][C][Branch1][C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch1][O][C][C][F][=C][Ring1][#Branch2] |
CCc1nnc(N2CCN([C@@H](C)C(=O)N3CCCC3)CC2)n1CC[S@](=O)CC | 1,546,525,479 | [C][C][C][=N][N][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][C][Ring1][#C][N][Ring2][Ring1][Ring2][C][C][S@][=Branch1][C][=O][C][C] |
O=C(CCn1ncc(=O)c2ccccc21)Nc1nc(Cc2ccccc2)cs1 | 541,350,702 | [O][=C][Branch2][Ring1][Ring2][C][C][N][N][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O][N][C][=N][C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][N] |
Cc1ccc(C)c(SCc2nc(O)c3c(C)c(C(=O)Nc4ccnn4CC(C)C)sc3n2)c1 | 253,609,961 | [C][C][=C][C][=C][Branch1][C][C][C][Branch2][Ring2][=N][S][C][C][=N][C][Branch1][C][O][=C][C][Branch1][C][C][=C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][Branch1][C][C][C][S][C][Ring2][Ring1][C][=N][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][S] |
C=C(C)CCC(=O)N1CC[C@@H](NC(=O)c2cccc(COC)c2)[C@@H]1C | 1,281,141,338 | [C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][Ring2][C][O][C][=C][Ring1][=Branch2][C@@H1][Ring1][P][C] |
Cc1nn[nH]c1C(=O)N1CCC([C@@H]2CCCCN2C(=O)CN2CCOC2=O)CC1 | 1,824,332,311 | [C][C][N][=N][NH1][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=Branch1][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][C][C][O][C][Ring1][Branch1][=O][C][C][Ring2][Ring1][Branch1] |
O=C(Nc1cc(N2CCCS2(=O)=O)ccc1F)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 | 517,303,531 | [O][=C][Branch2][Ring1][Branch2][N][C][=C][C][Branch1][N][N][C][C][C][S][Ring1][Branch1][=Branch1][C][=O][=O][=C][C][=C][Ring1][=N][F][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CNS(=O)(=O)CCn1c(Cn2nc(C)cc2C)nnc1N1CCc2ccc(F)cc2C1 | 1,767,855,840 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][C][Branch1][=N][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=N][N][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][O] |
Cc1cc(NC(=O)CN2CCN(C(=O)Nc3ccnc(C(=O)N(C)C)c3)CC2)no1 | 525,413,076 | [C][C][=C][C][Branch2][Ring2][O][N][C][=Branch1][C][=O][C][N][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring1][O][C][C][Ring2][Ring1][Ring2][=N][O][Ring2][Ring1][=N] |
C=CC[C@H]1N(C(=O)C(=O)NCCc2cnccc2C)CCCC1(C)C | 658,742,455 | [C][=C][C][C@H1][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][Ring2][Ring1][Ring2][Branch1][C][C][C] |
CC(C)c1nnc2n1CCN(C(=O)C(=O)N(C)Cc1ccccc1N(C)C)[C@@H]2C | 839,397,712 | [C][C][Branch1][C][C][C][=N][N][=C][N][Ring1][Branch1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C][C@@H1][Ring2][Ring1][=Branch1][C] |
CCN(CC)C[C@H]1CCN(c2nnc(-c3cccnc3)n2C[C@H]2CCC=CO2)C1 | 1,710,054,067 | [C][C][N][Branch1][Ring1][C][C][C][C@H1][C][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring1][O][C][C@H1][C][C][C][=C][O][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
COC(=O)CCc1csc(NC(=O)c2ncoc2-c2ccc(F)cc2)n1 | 472,385,178 | [C][O][C][=Branch1][C][=O][C][C][C][=C][S][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=N][Ring2][Ring1][Ring2] |
CCc1ccc(N(C(=O)[C@@H](C)Oc2ccc(CCC(C)=O)cc2)c2nc3ccccc3s2)cc1 | 521,616,198 | [C][C][C][=C][C][=C][Branch2][Ring2][N][N][Branch2][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=C][C][=C][Branch1][Branch2][C][C][C][Branch1][C][C][=O][C][=C][Ring1][O][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][S][Ring1][=Branch2][C][=C][Ring2][Ring1][S] |
C=CC1CCC(OC)CC1 | 199,953,527 | [C][=C][C][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2] |
C#C[C@H](C)N(C)c1nnc(-c2cccn2C)n1CCCCCOC | 1,358,884,460 | [C][#C][C@H1][Branch1][C][C][N][Branch1][C][C][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][N][Ring1][O][C][C][C][C][C][O][C] |
C[C@H](C(=O)N1CCN(c2ncccn2)CC1)N1C[C@@H]2CCC[C@H](C1)N2C(=O)OC(C)(C)C | 782,559,425 | [C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][C][C@@H1][C][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
C=CCCC1(C(=O)NC[C@H](C)NC(=O)c2nc(C)c(C)s2)CC1 | 1,759,769,528 | [C][=C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1][C][C][Ring2][Ring1][Ring1] |
Cc1nn(C)cc1[C@@H]1OCC[C@@H]1NC(=O)c1sc(-c2cccs2)nc1C | 1,553,769,742 | [C][C][=N][N][Branch1][C][C][C][=C][Ring1][=Branch1][C@@H1][O][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][C][=Ring1][#Branch2][C] |
CC[C@@H]1CCO[C@@H]1C(=O)N1C[C@@H]2CCC[C@]2(NC(=O)Cc2cccnc2C)C1 | 1,008,347,070 | [C][C][C@@H1][C][C][O][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][C@][Ring1][Branch1][Branch1][S][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1] |
Cc1nccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cnccc2Cl)n1 | 1,798,673,146 | [C][C][=N][C][=C][C][Branch2][Ring1][P][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][N][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring2][Ring1][#Branch2] |
COc1ccc(S(=O)(=O)N(CCC(=O)O)C[C@H]2CCCO2)cc1[N+](=O)[O-] | 580,308,646 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
CC[C@H](CNC(=O)Nc1ccnn1C[C@H]1CCOC1)NC(=O)OC(C)(C)C | 1,325,363,516 | [C][C][C@H1][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C@H1][C][C][O][C][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
O=C(NC[C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)c1cccc2cccnc12 | 983,353,656 | [O][=C][Branch2][Ring1][O][N][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1][C][Ring1][=C][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1] |
COc1cc2c(cc1NC(=O)COC(=O)[C@H]1CCC(=O)C1)oc1ccccc12 | 830,922,716 | [C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@H1][C][C][C][=Branch1][C][=O][C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2] |
COc1ccc(C[C@@](C)(O)CNC(=O)Nc2cccc(F)c2F)cc1OC | 567,798,637 | [C][O][C][=C][C][=C][Branch2][Ring1][N][C][C@@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][C][=C][Ring2][Ring1][#Branch1][O][C] |
Cc1nsc(NC(=O)NCc2ccc(C[S@](C)=O)cc2)c1C#N | 459,574,222 | [C][C][=N][S][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch1][C][S@][Branch1][C][C][=O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Ring2][C][#N] |
Cc1cc2oc(=O)cc(COC(=O)C3CN(C(=O)C4CCCCC4)C3)c2cc1C | 838,351,015 | [C][C][=C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][C][C][C][Ring1][=Branch1][C][Ring1][N][C][=Ring2][Ring1][#Branch1][C][=C][Ring2][Ring1][O][C] |
CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1Cc1nc(C)c(C)s1 | 1,694,115,680 | [C][C][C@H1][Branch1][C][C][C][=N][N][=C][Branch2][Ring1][=Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][C][Ring1][=C][N][Ring2][Ring1][Ring1][C][C][=N][C][Branch1][C][C][=C][Branch1][C][C][S][Ring1][#Branch1] |
COc1cccc(C(=O)NC[C@@H]2OC[C@@H]3CCN(C(=O)CCNC(C)=O)C[C@@H]32)n1 | 1,785,812,375 | [C][O][C][=C][C][=C][C][Branch2][Ring2][C][C][=Branch1][C][=O][N][C][C@@H1][O][C][C@@H1][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][N][C][Branch1][C][C][=O][C][C@@H1][Ring1][=C][Ring1][P][=N][Ring2][Ring1][O] |
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccccc1Oc1cccc2ccccc12)C1=CCCS1 | 1,800,811,415 | [O][=C][Branch2][Ring2][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][C][=C][Ring1][=Branch1][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][=C][C][C][S][Ring1][Branch1] |
CNS(=O)(=O)c1cccc(S(=O)(=O)Nc2cccc(-c3nnnn3C)c2)c1 | 64,475,245 | [C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=Branch2][C][=N][N][=N][N][Ring1][Branch1][C][=C][Ring1][N][=C][Ring2][Ring1][=Branch1] |
O=C(N[C@H](CN1CCCC1)c1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 | 550,692,480 | [O][=C][Branch2][Ring1][Branch1][N][C@H1][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C@@H1][C][C][C][C@H1][Ring1][Branch1][C][Ring1][=Branch2] |
CN(C)[C@H]1CCc2cc(NC(=O)NC3CCN(c4nccs4)CC3)ccc21 | 519,804,705 | [C][N][Branch1][C][C][C@H1][C][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][Branch2][C][=N][C][=C][S][Ring1][Branch1][C][C][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] |
O=C1NCc2cc(C(=O)N3[C@H]4CC[C@@H]3C[C@H](NC(=O)[C@H]3CCCS3)C4)ccc21 | 1,798,223,131 | [O][=C][N][C][C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Branch1][=N][N][C][=Branch1][C][=O][C@H1][C][C][C][S][Ring1][Branch1][C][Ring1][#C][=C][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][O] |
CCc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sc(NC(=O)c2ccc(F)cc2Cl)cc1C | 915,570,242 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][Cl][=C][C][=Ring1][S][C] |
CN(C)c1ccc(CN[C@H](CO)c2ccc(Br)c(F)c2)c(C(F)(F)F)c1 | 814,178,046 | [C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring1][=Branch1][C][N][C@H1][Branch1][Ring1][C][O][C][=C][C][=C][Branch1][C][Br][C][Branch1][C][F][=C][Ring1][Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
CCOC(=O)c1csc(CCNC(=O)C(=O)Nc2ccc(C(N)=O)cc2F)n1 | 471,029,034 | [C][C][O][C][=Branch1][C][=O][C][=C][S][C][Branch2][Ring1][=N][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][F][=N][Ring2][Ring1][#Branch1] |
COCC[C@@H]1CCN(c2nnc([C@@H]3CCCNC3)n2CCc2ccncc2)C1 | 1,579,008,817 | [C][O][C][C][C@@H1][C][C][N][Branch2][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C@@H1][C][C][C][N][C][Ring1][=Branch1][N][Ring1][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][Ring2][Ring1][Branch2] |
CC(C)c1nnc(CNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)s1 | 463,794,133 | [C][C][Branch1][C][C][C][=N][N][=C][Branch2][Ring2][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][C][N][C][C][N][C][=Branch1][C][=O][C][Ring1][#Branch1][=C][Ring1][=C][S][Ring2][Ring1][#Branch2] |
Cc1nn(C)c(C)c1C[C@H](C)C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 | 743,313,005 | [C][C][=N][N][Branch1][C][C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][Ring1] |
CCCC[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1nc2nccc(C)n2n1 | 268,128,180 | [C][C][C][C][C@H1][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][C][N][=C][N][=C][C][=C][Branch1][C][C][N][Ring1][#Branch1][N][=Ring1][#Branch2] |
CC(C)C#CC(=O)N[C@@H](CNC(=O)C1(C(F)(F)F)CC1)C(C)(C)C | 1,735,455,115 | [C][C][Branch1][C][C][C][#C][C][=Branch1][C][=O][N][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][#Branch1][C][Branch1][C][C][Branch1][C][C][C] |
COc1ccc(C(=O)N2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@@H]32)cc1C | 998,924,400 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@@H1][Ring1][=Branch1][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][=C][Ring2][Ring1][#Branch2][C] |
CC[C@H](C)n1nc(NC(=O)C(=O)NCC[C@]2(C)CC2(Cl)Cl)cc1C | 835,852,916 | [C][C][C@H1][Branch1][C][C][N][N][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C@][Branch1][C][C][C][C][Ring1][Ring2][Branch1][C][Cl][Cl][C][=C][Ring2][Ring1][Ring1][C] |
COc1cccc(C(=O)N2CCO[C@]3(COCCN(C(=O)C(=O)N(C)C)C3)C2)c1F | 1,840,793,367 | [C][O][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][Branch2][C][O][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][Ring1][=C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][O][F] |
CC(C)NC(=O)C(=O)N1CCN(c2nnc(Cc3ccccn3)n2C[C@H]2C[C@@H]2C)CC1 | 1,360,159,102 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch2][C][=N][N][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][N][Ring1][N][C][C@H1][C][C@@H1][Ring1][Ring1][C][C][C][Ring2][Ring1][#Branch1] |
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)O)cc2)cc1OC | 519,120,549 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][O][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1][O][C] |
C#C[C@H](N[C@H]1CCNC2(CCC2)C1)C1CCC1 | 2,013,449,174 | [C][#C][C@H1][Branch1][P][N][C@H1][C][C][N][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][Ring1][=Branch2][C][C][C][C][Ring1][Ring2] |
C#CCOc1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1 | 1,851,677,391 | [C][#C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][=N] |
CCOC(=O)Nc1ccc(C(=O)Nc2ccc(CS(N)(=O)=O)cc2)cc1 | 44,068,309 | [C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch2][C][S][Branch1][C][N][=Branch1][C][=O][=O][C][=C][Ring1][O][C][=C][Ring2][Ring1][Ring2] |
CN(C[C@H]1CCOC1)c1nnc(CC2CC2)n1C[C@@H](c1cccs1)N(C)C | 1,554,243,896 | [C][N][Branch1][=Branch2][C][C@H1][C][C][O][C][Ring1][Branch1][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][Ring1][=Branch2][C][C@@H1][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][Branch1][C][C][C] |
O=C([C@@H]1OC[C@@H]2CCC[C@@H]21)N1CC[C@@H]2CN(C(=O)c3cc4cnccc4o3)[C@@H]2C1 | 974,629,080 | [O][=C][Branch1][=N][C@@H1][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][N][C][C][C@@H1][C][N][Branch2][Ring1][C][C][=Branch1][C][=O][C][=C][C][=C][N][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][C@@H1][Ring1][#C][C][Ring2][Ring1][Ring1] |
Cc1sc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)c(C(N)=O)c1-c1ccccc1 | 913,193,402 | [C][C][S][C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][S][C][=N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][O][Ring1][N][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=Ring2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1] |