smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
C=CCn1c(CC(F)F)nnc1N1CCC2(CCCCO2)CC1 | 1,340,445,180 | [C][=C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][F][F][=N][N][=C][Ring1][=Branch2][N][C][C][C][Branch1][Branch2][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][O] |
C[C@]1(CO)CCCN(C(=O)C(=O)Nc2ccc(OC(F)F)c3cccnc23)C1 | 1,338,273,966 | [C][C@][Branch1][Ring1][C][O][C][C][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][C][=C][N][=C][Ring1][=C][Ring1][=Branch1][C][Ring2][Ring1][O] |
N#CCCNC(=O)c1ncoc1-c1ccccc1 | 787,620,909 | [N][#C][C][C][N][C][=Branch1][C][=O][C][N][=C][O][C][=Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCCN(CC)c1nnc(-c2ccc(C)o2)n1Cc1nnc2n1CCCCC2 | 1,500,741,025 | [C][C][C][N][Branch1][Ring1][C][C][C][=N][N][=C][Branch1][O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1][N][Ring1][O][C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] |
CCCN(CCC)C(=O)CN1[C@H]2CC[C@@H]1C[C@H]2NC(=O)CCC1CCCC1 | 1,110,253,970 | [C][C][C][N][Branch1][Ring2][C][C][C][C][=Branch1][C][=O][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C][C][C][C][C][Ring1][Branch1] |
O=C(COc1ccc(F)cc1F)N[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1 | 1,601,343,855 | [O][=C][Branch1][#C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
CCN(CCNC(=O)NC[C@H](CO)Cc1cc(F)c(F)c(F)c1)C(C)C | 445,013,460 | [C][C][N][Branch2][Ring1][P][C][C][N][C][=Branch1][C][=O][N][C][C@H1][Branch1][Ring1][C][O][C][C][=C][C][Branch1][C][F][=C][Branch1][C][F][C][Branch1][C][F][=C][Ring1][=Branch2][C][Branch1][C][C][C] |
Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](NC(=O)c3ccc(-c4cnn[nH]4)cc3)C2)o1 | 1,577,357,389 | [C][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C@@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][N][=N][NH1][Ring1][Branch1][C][=C][Ring1][O][C][Ring2][Ring1][Ring2][O][Ring2][Ring1][O] |
CC[C@H](C)n1ncc(C(=O)N2C[C@@H](C(=O)NC)[C@H](c3cnn(C)c3)C2)c1C1CC1 | 1,548,481,918 | [C][C][C@H1][Branch1][C][C][N][N][=C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C@@H1][Branch1][#Branch1][C][=Branch1][C][=O][N][C][C@H1][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][#C][=C][Ring2][Ring1][=Branch1][C][C][C][Ring1][Ring1] |
O=C(CCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 | 31,449,974 | [O][=C][Branch2][Ring2][#Branch1][C][C][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][Ring2][Ring1][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
COCCN(C[C@@H]1CC=CCC1)c1nnc(-c2cccn2C)n1C[C@H]1CCOC1 | 461,713,176 | [C][O][C][C][N][Branch1][#Branch2][C][C@@H1][C][C][=C][C][C][Ring1][=Branch1][C][=N][N][=C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][N][Ring1][O][C][C@H1][C][C][O][C][Ring1][Branch1] |
CS(=O)(=O)c1ccc(C(=O)NCCCOc2ccc3ccccc3c2)cc1 | 135,607,677 | [C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][O][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][#Branch1] |
C=CC(C)(C)CC(=O)N1CC[C@@H](NC(=O)c2cnc(C)[nH]2)[C@@H](CC)C1 | 1,298,964,444 | [C][=C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][S][N][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][C][NH1][Ring1][=Branch1][C@@H1][Branch1][Ring1][C][C][C][Ring1][P] |
CC1(C)Cc2cccc(C(=O)Nc3ccc(C4(NC(=O)c5cnn(C(C)(C)C)c5)CCC4)cc3)c2O1 | 1,788,497,044 | [C][C][Branch1][C][C][C][C][=C][C][=C][C][Branch2][Ring2][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=Ring1][=Branch2][C][C][C][Ring1][S][C][=C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#C][O][Ring2][Ring2][Ring1] |
C=C1C[C@H]1CNC(=O)c1cc(N)c(C)c(F)c1 | 1,996,737,713 | [C][=C][C][C@H1][Ring1][Ring1][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][N][=C][Branch1][C][C][C][Branch1][C][F][=C][Ring1][=Branch2] |
CCCC(=O)Nc1ccc(CNC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)cc1 | 611,904,825 | [C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][N][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][#Branch2][C][=Ring1][#C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][N] |
CC[C@H](C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)OC)CCC2)cc1)c1ccccc1 | 1,787,644,456 | [C][C][C@H1][Branch2][Ring2][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=N][C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C@H1][C][C][=C][C][C@@H1][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1(C)CN(C[C@@H]2CCCO2)CC[C@H]1C#N | 259,231,225 | [C][C][Branch1][C][C][C][N][Branch1][=Branch2][C][C@@H1][C][C][C][O][Ring1][Branch1][C][C][C@H1][Ring1][=N][C][#N] |
Cc1cc(C#N)cc(C)c1CC(=O)N(C)CCNC(=O)OC(C)(C)C | 909,570,352 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][C][=C][Ring1][=Branch2][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
Cc1cc(C)cc(OCc2nnc(N3CCO[C@]4(C[C@H]5CC[C@H]4C5)C3)n2C)c1 | 508,579,041 | [C][C][=C][C][Branch1][C][C][=C][C][Branch2][Ring2][C][O][C][C][=N][N][=C][Branch2][Ring1][Branch1][N][C][C][O][C@][Branch1][O][C][C@H1][C][C][C@H1][Ring1][=Branch1][C][Ring1][Branch1][C][Ring1][N][N][Ring1][P][C][=C][Ring2][Ring1][O] |
CC[C@H](NC(=O)c1c[nH]nc1-c1cccc(Cl)c1)C(=O)N1CCOCC1 | 132,416,183 | [C][C][C@H1][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][NH1][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1] |
C[C@H](Br)C(=O)N1CCCC[C@H]1c1cc(NC(=O)CC[C@@H]2CNc3ccccc3C2)n[nH]1 | 1,817,376,235 | [C][C@H1][Branch1][C][Br][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C@@H1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][Ring2] |
CN(C(=O)c1ccc(-n2cccn2)c(F)c1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 | 174,713,904 | [C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][C][Branch1][C][F][=C][Ring1][N][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][N] |
CC1(C)CCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)Nc2cn[nH]c2)cc1 | 576,052,394 | [C][C][Branch1][C][C][C][C][C][C@H1][Ring1][=Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=N][NH1][C][=Ring1][Branch1][C][=C][Ring1][#C] |
CC(=O)Nc1ccc(NC(=O)N2CCN(C)[C@H](C(C)C)C2)c(C(F)(F)F)c1 | 486,167,819 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C][N][Branch1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][#Branch2][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring2][Ring1][#Branch1] |
C[C@H](Sc1nnc(-c2ccco2)n1C)c1nc(N)nc(Nc2ccccc2)n1 | 24,913,209 | [C][C@H1][Branch2][Ring1][Ring1][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][=N][C][Branch1][C][N][=N][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][Ring1][=C] |
C[C@@H](C(=O)Nc1cccc(F)c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 | 249,714,986 | [C][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][C][C@@H1][Branch1][#C][C][=N][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1][C][Ring1][S] |
CCN(C[C@@H](C)C#N)C(=O)CCCSC | 134,623,378 | [C][C][N][Branch1][Branch2][C][C@@H1][Branch1][C][C][C][#N][C][=Branch1][C][=O][C][C][C][S][C] |
CCO[C@@]1(c2nnc(N(C)C[C@@H]3CC=CCC3)n2CC(=O)N2CCOCC2)CCOC1 | 1,314,091,337 | [C][C][O][C@@][Branch2][Ring2][Ring2][C][=N][N][=C][Branch1][=C][N][Branch1][C][C][C][C@@H1][C][C][=C][C][C][Ring1][=Branch1][N][Ring1][=C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][C][O][C][Ring2][Ring1][N] |
Cc1c(C)n(C[C@@H]2CCCO2)c2ncnc(NC(=O)c3ccc4cncn4c3)c12 | 283,820,941 | [C][C][=C][Branch1][C][C][N][Branch1][=Branch2][C][C@@H1][C][C][C][O][Ring1][Branch1][C][=N][C][=N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][=C][C][=C][N][=C][N][Ring1][Branch1][C][=Ring1][=Branch2][=C][Ring2][Ring1][N][Ring2][Ring1][C] |
CC(C)NC(=O)c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC1(N(C)C)Cc2ccccc2C1 | 1,723,561,659 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=N][N][=C][Branch1][#C][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][Branch1][C][N][=O][N][Ring1][=N][C][C][Branch1][=Branch1][N][Branch1][C][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
COCCCn1cc(C(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)cn1 | 528,364,232 | [C][O][C][C][C][N][C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][O][Ring1][O][C][C][Ring1][P][C][=N][Ring2][Ring1][Branch2] |
CCOC(=O)O[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)Cc1cc(C)[nH]n1)C2 | 1,800,232,047 | [C][C][O][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C@H1][C][O][C][C@@H1][Ring1][=Branch1][C][N][Branch1][S][C][=Branch1][C][=O][C][C][C][=C][Branch1][C][C][NH1][N][=Ring1][=Branch1][C][Ring1][P] |
Cc1cccc(-c2nnc(-c3ccc(C(=O)OCCc4ncnn4C)cc3)o2)c1 | 1,514,743,219 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch1][C][=N][N][=C][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][C][=Branch1][C][=O][O][C][C][C][=N][C][=N][N][Ring1][Branch1][C][C][=C][Ring1][P][O][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][N] |
Cc1cccc(OC[C@@]2(O)COCCN(Cc3ccc(OCCN4CCOCC4)cc3)C2)c1 | 585,271,732 | [C][C][=C][C][=C][C][Branch2][Ring2][=Branch2][O][C][C@@][Branch1][C][O][C][O][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][N][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][#C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][S] |
CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2cc(NC(=O)c3ccc4occ(Cl)c4c3)n[nH]2)c[nH]1 | 1,820,228,728 | [C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][O][C][=C][Branch1][C][Cl][C][Ring1][=Branch1][=C][Ring1][#Branch2][=N][NH1][Ring2][Ring1][C][=C][NH1][Ring2][Ring1][#C] |
COCCn1cc(C(=O)NCCOCc2ccc(Cl)cc2Cl)c(C)n1 | 542,084,942 | [C][O][C][C][N][C][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][Branch1][C][C][=N][Ring2][Ring1][Branch1] |
Cc1ccc(N2CCN(C(=O)CN3C(=O)[C@H]4CCCC[C@@H]4C3=O)CC2)c(C)c1 | 1,347,879,965 | [C][C][=C][C][=C][Branch2][Ring2][Ring1][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C@@H1][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring2][C][Branch1][C][C][=C][Ring2][Ring1][O] |
C=CC[C@H](O)[C@@H]1CCN1[C@H](CC)C(F)(F)F | 1,899,666,418 | [C][=C][C][C@H1][Branch1][C][O][C@@H1][C][C][N][Ring1][Ring2][C@H1][Branch1][Ring1][C][C][C][Branch1][C][F][Branch1][C][F][F] |
Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)Nc3cc(C)c([N+](=O)[O-])cc3C)C2)nc1 | 475,565,798 | [C][C][=C][C][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C@H1][C][C][C][N][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][C][C][Ring2][Ring1][Ring2][N][=C][Ring2][Ring1][=N] |
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)c1csc(-c2nc[nH]n2)n1 | 504,581,751 | [C][C][O][C][=Branch1][C][=O][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][N][=C][NH1][N][=Ring1][Branch1][=N][Ring1][#Branch2] |
CC(=O)C(C)(C)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1n[nH]c3c1CS(=O)(=O)C3)C2 | 1,793,412,216 | [C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][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][=N][NH1][C][=C][Ring1][Branch1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][C][Ring2][Ring1][Ring2] |
O=C(c1ccc(Cl)c(-c2nn[nH]n2)c1)N1CCN[C@@H](c2ccc(O)cc2)C1 | 1,582,702,606 | [O][=C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][N][N][C][C][N][C@@H1][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][Ring1][=N] |
CSCC[C@@H](NS(=O)(=O)/C=C\c1ccccc1)C(=O)NCc1cocn1 | 730,802,614 | [C][S][C][C][C@@H1][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][/C][=C][\C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][O][C][=N][Ring1][Branch1] |
COc1cc(C=NNC(=O)C2CCCC2)c([N+](=O)[O-])cc1OC | 914,836,213 | [C][O][C][=C][C][Branch1][#C][C][=N][N][C][=Branch1][C][=O][C][C][C][C][C][Ring1][Branch1][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][Ring1][O][C] |
Cc1ccccc1C[C@H](C)NC(=O)COC(=O)[C@@H](c1ccccc1)n1cccn1 | 138,518,159 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=N][Ring1][Branch1] |
CCOC(=O)Cc1cnc(N(C)C(=O)c2ccc(CN3CCCC3)cc2)s1 | 457,101,079 | [C][C][O][C][=Branch1][C][=O][C][C][=C][N][=C][Branch2][Ring1][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch2][C][N][C][C][C][C][Ring1][Branch1][C][=C][Ring1][N][S][Ring2][Ring1][Branch1] |
C#CCN(c1nnc(CC2CC2)n1C[C@@H]1CCCO[C@H]1C(C)(C)C)[C@@H]1CCS(=O)(=O)C1 | 1,507,635,258 | [C][#C][C][N][Branch2][Ring1][P][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][N][Ring1][=Branch2][C][C@@H1][C][C][C][O][C@H1][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1] |
COc1ccc(OC)c([C@@H](N)[C@H](C#N)C(C)C)c1 | 259,429,511 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][#C][C@@H1][Branch1][C][N][C@H1][Branch1][Ring1][C][#N][C][Branch1][C][C][C][=C][Ring1][S] |
O=C(NC[C@@H]1CCN(C(=O)Cc2ccccc2)[C@H]1c1cccnc1)c1c(F)cc(Cl)cc1Cl | 1,811,459,903 | [O][=C][Branch2][Ring1][P][N][C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Branch1][C][F][C][=C][Branch1][C][Cl][C][=C][Ring1][Branch2][Cl] |
CC(C)CC1(C(=O)N2CCC(C)(CNC(=O)[C@@H](C)C#N)CC2)CC1 | 1,454,000,900 | [C][C][Branch1][C][C][C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][N][C][C][C][Branch1][C][C][Branch1][=N][C][N][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][#N][C][C][Ring1][#C][C][C][Ring2][Ring1][Ring2] |
C#C[C@H](C)NS(=O)(=O)c1ccc(C#N)cc1C | 193,511,755 | [C][#C][C@H1][Branch1][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][C] |
Cc1ccc(C(=O)N2CCO[C@]3(COCCN(C(=O)[C@@]4(C)C[C@@H]4C)C3)C2)s1 | 1,833,959,331 | [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][C][C][C@@H1][Ring1][Ring2][C][C][Ring1][=C][C][Ring2][Ring1][Ring1][S][Ring2][Ring1][#Branch2] |
CCN1CCN(CCCCn2c(-c3ccccc3F)nnc2N2CC[C@@](F)(C#N)C2)CC1 | 1,296,197,144 | [C][C][N][C][C][N][Branch2][Ring2][Branch1][C][C][C][C][N][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][=N][N][=C][Ring1][N][N][C][C][C@@][Branch1][C][F][Branch1][Ring1][C][#N][C][Ring1][Branch2][C][C][Ring2][Ring1][=C] |
CCOC(=O)c1cn(C)nc1NC(=O)C(=O)NCc1ccccc1Cn1cncn1 | 508,731,935 | [C][C][O][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][N][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=N][C][=N][Ring1][Branch1] |
Cc1cnoc1C(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)ncn3)C2)C1 | 1,838,391,635 | [C][C][C][=N][O][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][O][C@][Branch2][Ring1][#Branch2][C][O][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][Branch1][C][O][=N][C][=N][Ring1][#Branch1][C][Ring1][S][C][Ring2][Ring1][Branch1] |
CCc1ccccc1CCN1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 | 444,679,227 | [C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][C][C][Branch2][Ring1][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][S] |
FC1(C#Cc2sccc2C2CC2)CNC1 | 1,961,737,078 | [F][C][Branch1][#C][C][#C][C][S][C][=C][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][C][N][C][Ring1][=C] |
COCc1nc([C@H]2COCCN2C(=O)NCC2(N3CCC(OC)CC3)CCCC2)no1 | 508,470,818 | [C][O][C][C][=N][C][Branch2][Ring2][Ring2][C@H1][C][O][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][Branch1][=N][N][C][C][C][Branch1][Ring1][O][C][C][C][Ring1][Branch2][C][C][C][C][Ring1][=N][=N][O][Ring2][Ring1][N] |
Cn1c(=O)c2ccccc2n2c(COC(=O)CCCC3CCCCC3)nnc12 | 917,835,950 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Branch2][Ring1][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][=N][N][=C][Ring2][Ring1][O][Ring2][Ring1][C] |
C[C@H](NC(=O)NC[C@@H]1COC(C)(C)O1)c1cccc(OCc2ccccn2)c1 | 783,184,610 | [C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C@@H1][C][O][C][Branch1][C][C][Branch1][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][=C] |
CCCOc1ccc(CNC(=O)c2cn(Cc3cccc(F)c3)nn2)cc1OC | 120,496,300 | [C][C][C][O][C][=C][C][=C][Branch2][Ring1][N][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][=N][Ring1][=N][C][=C][Ring2][Ring1][#Branch1][O][C] |
CC(C)Cc1noc(CN2CCCN(C(=O)[C@@H]3OC[C@@H]4CCC[C@@H]43)CC2)n1 | 981,641,946 | [C][C][Branch1][C][C][C][C][=N][O][C][Branch2][Ring1][=N][C][N][C][C][C][N][Branch1][P][C][=Branch1][C][=O][C@@H1][O][C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][Ring1][Branch2][C][C][Ring1][P][=N][Ring2][Ring1][#Branch1] |
CC(C)(C)OC(=O)N1CC(C)(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)C1 | 1,441,225,130 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][C][Ring2][Ring1][Branch1] |
COC(=O)C(C)(C)[C@H](NC(=O)N1CC[C@@H](N2CCCC2)[C@H]1C)c1ccccc1 | 588,633,861 | [C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][Branch2][N][C][C][C][C][Ring1][Branch1][C@H1][Ring1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
COc1ccc(S(=O)(=O)N2C[C@H](OC(=O)[C@@H](F)CC(F)(F)F)CO2)cc1OC | 1,854,612,367 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C@H1][Branch2][Ring1][Ring1][O][C][=Branch1][C][=O][C@@H1][Branch1][C][F][C][C][Branch1][C][F][Branch1][C][F][F][C][O][Ring1][#C][C][=C][Ring2][Ring1][Branch2][O][C] |
CCc1cc(C(=O)OC)c(NC(=O)C(=O)N[C@@H](c2nccn2C)C2CC2)s1 | 425,789,587 | [C][C][C][=C][C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][=C][Branch2][Ring1][O][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][=N][C][=C][N][Ring1][Branch1][C][C][C][C][Ring1][Ring1][S][Ring2][Ring1][=Branch2] |
Cc1n[nH]c(C)c1CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CC1CCN(C)CC1 | 1,792,605,423 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][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][N][Branch1][C][C][C][C][Ring1][#Branch1] |
CO[C@@H]1CCN(C(=O)NCC2(c3cccc(C)c3)CCCCC2)[C@@H](C(=O)O)C1 | 516,904,632 | [C][O][C@@H1][C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][Branch1][N][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][C][C][C][C][C][Ring1][=N][C@@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Ring2][Ring1][#Branch2] |
CC(C)[C@H]1CN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 | 684,496,939 | [C][C][Branch1][C][C][C@H1][C][N][Branch2][Ring1][S][C][=Branch1][C][=O][C@][Branch1][C][C][Branch1][C][O][C][N][C][=Branch1][C][=O][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Branch1][C][Ring1][#Branch2][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch2] |
O=C(Nc1ncc(Cc2ccccc2Cl)s1)C(=O)N[C@H]1CCCNC1 | 415,312,636 | [O][=C][Branch2][Ring1][Branch1][N][C][=N][C][=C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][S][Ring1][=N][C][=Branch1][C][=O][N][C@H1][C][C][C][N][C][Ring1][=Branch1] |
CCn1cc(S(=O)(=O)Nc2cccc(-n3cc(C)nc3O)c2)c([N+](=O)[O-])n1 | 478,682,440 | [C][C][N][C][=C][Branch2][Ring1][=C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][N][C][=C][Branch1][C][C][N][=C][Ring1][=Branch1][O][=C][Ring1][=N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring2][Ring1][=Branch2] |
Cc1nc2cc(C(=O)N3CC[C@H](CNC(=O)C4CCC(F)(F)CC4)[C@H]3c3cccnc3)ccc2s1 | 1,803,327,444 | [C][C][=N][C][=C][C][Branch2][Ring2][O][C][=Branch1][C][=O][N][C][C][C@H1][Branch2][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][C][C][C][Branch1][C][F][Branch1][C][F][C][C][Ring1][Branch2][C@H1][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][#C][S][Ring2][Ring2][C] |
CCN1CCN(c2ccc(CNC(=O)N[C@H](CO)C[C@@H](O)c3ccccc3)cn2)CC1 | 754,552,825 | [C][C][N][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][C][N][C][=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][=N][Ring2][Ring1][#Branch1][C][C][Ring2][Ring1][=N] |
C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(-c3ccccc3)n3ccccc23)C1)c1ccc(Cl)cc1 | 1,844,626,020 | [C][C@@H1][Branch2][Ring2][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1] |
CCN1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)SC)C[C@@H]1C | 1,728,618,232 | [C][C][N][C][C][N][Branch2][Ring1][N][C][=N][N][=C][Branch1][=Branch2][C][=C][N][=C][C][=N][Ring1][=Branch1][N][Ring1][O][C][C][Branch1][C][C][Branch1][C][C][S][C][C][C@@H1][Ring2][Ring1][#Branch1][C] |
C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]3CC[C@@H]32)n1Cc1ncccc1N(C)C | 1,510,205,919 | [C][C@@H1][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][=N][N][=C][Branch1][=N][N][C][C][C][C@@H1][C][C][C@@H1][Ring1][Ring2][Ring1][Branch2][N][Ring1][=N][C][C][=N][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][C] |
CC(C)OC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O | 1,168,555,301 | [C][C][Branch1][C][C][O][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C@@H1][Ring1][N][O] |
CCN1CCC(NC(=O)C(=O)Nc2ncc(Cc3cccc(F)c3)s2)CC1 | 297,929,862 | [C][C][N][C][C][C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=N][C][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][S][Ring1][=N][C][C][Ring2][Ring1][=Branch2] |
CC[C@@H](NC(=O)C(=O)N(Cc1ccccc1F)C(C)C)c1c(C)noc1C | 568,447,565 | [C][C][C@@H1][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Branch1][C][C][C][C][C][Branch1][C][C][=N][O][C][=Ring1][=Branch1][C] |
COc1ccc(C(=O)O)cc1S(=O)(=O)NCc1ccnc(OC(C)C)c1 | 273,797,689 | [C][O][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][C][=N][C][Branch1][#Branch1][O][C][Branch1][C][C][C][=C][Ring1][#Branch2] |
Cc1nnc(N2CCC[C@H](Oc3ccccc3)C2)n1CCn1cc(Cl)cn1 | 1,762,587,879 | [C][C][=N][N][=C][Branch2][Ring1][Ring2][N][C][C][C][C@H1][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][N][Ring2][Ring1][C][C][C][N][C][=C][Branch1][C][Cl][C][=N][Ring1][=Branch1] |
CC(=O)NCCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CCc3cccnc3)[C@H]2C1 | 1,787,110,024 | [C][C][=Branch1][C][=O][N][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C][O][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1][C@H1][Ring1][P][C][Ring2][Ring1][Branch1] |
Cc1cc(F)ccc1C1CCN(C(=O)N[C@H]2CCO[C@@H]2c2ccnn2C)CC1 | 293,388,625 | [C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C@H1][C][C][O][C@@H1][Ring1][Branch1][C][=C][C][=N][N][Ring1][Branch1][C][C][C][Ring2][Ring1][Ring2] |
C=C[C@](C)(O)CC(=O)N1CCC(N(C/C=C\Cl)CC2CC2)CC1 | 1,269,621,793 | [C][=C][C@][Branch1][C][C][Branch1][C][O][C][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][N][Branch1][Branch1][C][/C][=C][\Cl][C][C][C][C][Ring1][Ring1][C][C][Ring1][#C] |
CCS(=O)(=O)c1ccc(O)c(NC(=O)COCCOc2ccccc2)c1 | 44,944,406 | [C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][Branch1] |
COc1c(F)cc(NC(=O)c2ncnc(O)c2Br)c(OC)c1F | 1,627,933,933 | [C][O][C][=C][Branch1][C][F][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=N][C][=N][C][Branch1][C][O][=C][Ring1][#Branch1][Br][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][Ring2][F] |
C[C@@H]1C(=O)CC[C@H](C(=O)N2[C@H]3CC[C@H]2CN(C(=O)OC(C)(C)C)C3)C1(C)C | 856,466,391 | [C][C@@H1][C][=Branch1][C][=O][C][C][C@H1][Branch2][Ring1][S][C][=Branch1][C][=O][N][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][Ring2][Ring1][Branch2][Branch1][C][C][C] |
CC(C)[C@H]1CN(C(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2ccccc21 | 446,572,108 | [C][C][Branch1][C][C][C@H1][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][N][C][=Branch1][C][=O][C][N][C][Ring1][=Branch1][=O][C][=C][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][=Branch2] |
Cc1cncc(NC(=O)CCNC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)c1 | 1,148,778,995 | [C][C][=C][N][=C][C][Branch2][Ring2][Ring1][N][C][=Branch1][C][=O][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][Ring2][Ring1][#Branch2] |
Nc1cccc(Cl)c1[C@@H]1CNC[C@@H]1CS | 396,745,924 | [N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C@@H1][C][N][C][C@@H1][Ring1][Branch1][C][S] |
COc1cc(C(=O)NC[C@H]2CCCN(Cc3ccccc3)C2)cc(OC)c1OC | 62,231,577 | [C][O][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=Branch2][O][C] |
N#C[C@]1(N2CCCCC2)C[C@H]2C[C@H]1[C@H]1C[C@@H]12 | 1,917,636,058 | [N][#C][C@][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C@H1][C][C@H1][Ring1][O][C@H1][C][C@@H1][Ring1][Ring1][Ring1][=Branch1] |
COC(=O)[C@]1(NC(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[C@@H](C)c2ccccc21 | 1,181,102,824 | [C][O][C][=Branch1][C][=O][C@][Branch2][Ring1][N][N][C][=Branch1][C][=O][C@@H1][C][C][=Branch1][C][=O][N][Branch1][O][C][C][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][=C][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][N] |
Cn1cc(-c2ccc3c(c2)C(C)(C)CN3CC2CN(C(=O)c3csc(-c4cccs4)n3)C2)cn1 | 576,053,984 | [C][N][C][=C][Branch2][Branch1][Ring2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][Branch2][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][S][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][Ring1][S][C][=N][Ring2][Ring1][P] |
COc1cccc(OC)c1C(=O)OCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 | 29,275,201 | [C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][=Branch1][C][=O][O][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
CSCC#CC(=O)c1cc(C)co1 | 1,887,036,455 | [C][S][C][C][#C][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][O][Ring1][=Branch1] |
COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)Nc1cc(C#N)ccc1OC | 454,648,629 | [C][O][C][=Branch1][C][=O][C@@H1][C][C][C][C][C][C@@H1][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][O][C] |
COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)N2CC3(CCN3Cc3ccccc3)C2)c1 | 910,781,625 | [C][O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch2][Ring1][S][C@H1][C][C@@H1][Ring1][Ring1][C][=Branch1][C][=O][N][C][C][Branch1][#C][C][C][N][Ring1][Ring2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][O] |
CCc1c(C(=O)Nc2ccc(C)cc2Br)cnn1-c1ccc(Br)cc1 | 516,469,323 | [C][C][C][=C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][Br][C][=N][N][Ring1][S][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1] |