smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(O)CCOCC2)C[C@@H](C)C1(F)F | 1,620,317,569 | [C][C@H1][C][N][Branch2][Ring2][Ring1][C][=N][N][=C][Branch1][=C][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][Ring1][#Branch1][N][Ring1][N][C][C][Branch1][C][O][C][C][O][C][C][Ring1][#Branch1][C][C@@H1][Branch1][C][C][C][Ring2][Ring1][O][Branch1][C][F][F] |
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)[C@H]1CCS(=O)(=O)c2ccccc21 | 284,078,431 | [C][O][C][=Branch1][C][=O][C@H1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][Ring1][#Branch2][C][=Branch1][C][=O][C@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][N] |
C[C@@](NC(=O)CCC(=O)Nc1c(F)cccc1F)(C(N)=O)c1ccccc1 | 1,545,510,756 | [C][C@@][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][=C][Ring1][=Branch1] |
Nc1ccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccccc4)C3)n2)cc1[N+](=O)[O-] | 545,550,265 | [N][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][O][C][Branch2][Ring1][Branch2][C@H1][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1] |
C=C1C[C@@H]1[C@H](NC)c1ccc(F)cn1 | 1,890,938,718 | [C][=C][C][C@@H1][Ring1][Ring1][C@H1][Branch1][Ring1][N][C][C][=C][C][=C][Branch1][C][F][C][=N][Ring1][#Branch1] |
CNc1ccc(-c2nn[nH]n2)cc1NC(=O)CCCCC(=O)c1ccc(F)cc1 | 1,591,221,305 | [C][N][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][C][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
C[C@H]1C[C@@H]1c1ccc(CNC(=O)Nc2cccc(N3C(=O)CN(C)C3=O)c2)o1 | 613,071,051 | [C][C@H1][C][C@@H1][Ring1][Ring1][C][=C][C][=C][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][Ring1][#Branch1][=O][=C][Ring1][=C][O][Ring2][Ring1][Branch2] |
O=C(OCc1coc(-c2cccs2)n1)c1cnn(-c2ncccc2Cl)c1C(F)(F)F | 730,652,312 | [O][=C][Branch2][Ring1][Ring1][O][C][C][=C][O][C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][=N][Ring1][#Branch2][C][C][=N][N][Branch1][#Branch2][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][N][C][Branch1][C][F][Branch1][C][F][F] |
COC(=O)c1sc2nc(C)nc(NCCCOC3CCOCC3)c2c1C | 266,213,710 | [C][O][C][=Branch1][C][=O][C][S][C][=N][C][Branch1][C][C][=N][C][Branch1][=C][N][C][C][C][O][C][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][C][C][=Ring2][Ring1][Branch1][C] |
C[C@H](NC[C@H](N1CCNCC1)C(F)(F)F)c1cc(Cl)c(N)c(Cl)c1 | 817,972,554 | [C][C@H1][Branch2][Ring1][=Branch1][N][C][C@H1][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][C][Branch1][C][Cl][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][=Branch2] |
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Br)cc2)c1 | 8,424,876 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][Branch2][Ring2][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][#Branch2][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][=C][Ring2][Ring1][N] |
O[C@@]1(Cc2cn(Cc3nc(-c4ccc(Cl)cc4)no3)nn2)CCSC1 | 640,857,649 | [O][C@@][Branch2][Ring2][C][C][C][=C][N][Branch2][Ring1][=Branch1][C][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][O][Ring1][N][N][=N][Ring2][Ring1][C][C][C][S][C][Ring2][Ring1][Branch2] |
O=C1C[C@H](C(=O)N2CCOc3ccc([N+](=O)[O-])cc3C2)CN1CC(F)(F)F | 461,395,349 | [O][=C][C][C@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring1][=C][C][N][Ring2][Ring1][Branch1][C][C][Branch1][C][F][Branch1][C][F][F] |
COC(=O)COc1cccc(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)c1 | 609,679,478 | [C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][O][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][N][=C][Ring2][Ring1][=Branch1] |
CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)c2cc(OC)cc(OC)c2)c1 | 276,401,841 | [C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][Branch1][Ring1][O][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][=C][Ring2][Ring1][Branch1] |
O=C(NCc1cccc(F)c1)NCc1cccc(NC(=O)c2ccncc2)c1 | 57,251,432 | [O][=C][Branch1][=C][N][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][C][C][=C][C][=C][C][Branch1][=C][N][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring1][#C] |
COC1(C(F)(F)F)CCN([C@H]2CCN(C(=O)[C@@H]3CCc4c(ncn4C)C3)C2=O)CC1 | 1,857,016,243 | [C][O][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][C][N][Branch2][Ring1][S][C@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C@@H1][C][C][C][=C][Branch1][#Branch1][N][=C][N][Ring1][Branch1][C][C][Ring1][#Branch2][C][Ring1][P][=O][C][C][Ring2][Ring1][N] |
C=CCSc1nccc(OC)c1C[C@H](C)N | 2,243,172,052 | [C][=C][C][S][C][=N][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][C][C@H1][Branch1][C][C][N] |
CCCN(C(=O)NCCc1cnccn1)[C@H]1CCCN(Cc2ccccc2)C1 | 527,175,835 | [C][C][C][N][Branch1][S][C][=Branch1][C][=O][N][C][C][C][=C][N][=C][C][=N][Ring1][=Branch1][C@H1][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][=N] |
O=C(Cc1cccc(Cl)c1)N1CCC(n2cnc3ccccc3c2=O)CC1 | 1,263,978,200 | [O][=C][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][N][C][C][C][Branch1][S][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring1][P] |
CNC(=O)CCn1c(Cc2ccccc2C)nnc1N(C)Cc1ccccn1 | 1,503,816,282 | [C][N][C][=Branch1][C][=O][C][C][N][C][Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=C][Ring1][=N][N][Branch1][C][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1] |
CC(C)c1nnc(N2CC[C@H]3OCCC[C@H]3C2)n1CC1CCS(=O)(=O)CC1 | 1,287,206,300 | [C][C][Branch1][C][C][C][=N][N][=C][Branch1][#C][N][C][C][C@H1][O][C][C][C][C@H1][Ring1][=Branch1][C][Ring1][#Branch2][N][Ring1][#C][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2] |
CC(=O)Nc1cc(Cl)ccc1NS(=O)(=O)c1cc(C(=O)O)oc1Cl | 1,776,205,025 | [C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][C][=Ring1][Branch2][Cl] |
CCCCC[C@H](O)c1nnc(N(C)CC(=O)N(C)[C@@H](C)c2ccccc2)n1C | 1,338,715,700 | [C][C][C][C][C][C@H1][Branch1][C][O][C][=N][N][=C][Branch2][Ring1][#Branch2][N][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring2][C] |
O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)C(=O)N[C@@H]1CCCOc2ccccc21 | 285,230,350 | [O][=C][Branch2][Ring1][Ring2][N][C@@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][C][C][C][O][Ring1][Branch1][C][=Branch1][C][=O][N][C@@H1][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O] |
CC[C@H](C(=O)N1CCCN(Cc2ccccc2)CC1)N(C)C(=O)OC(C)(C)C | 1,440,727,503 | [C][C][C@H1][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][N][Branch1][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
CCCCn1ccnc1-c1cccc(NC(=O)NCCNS(=O)(=O)CC)c1 | 477,962,544 | [C][C][C][C][N][C][=C][N][=C][Ring1][Branch1][C][=C][C][=C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][Ring2][Ring1][C] |
CC(C)(C)C[C@H](CO)NC(=O)c1ccn(-c2ccc(Br)cc2)n1 | 484,805,334 | [C][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][C][C][=C][N][Branch1][N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][N][=Ring1][N] |
Cc1ccccc1CCC(=O)N1CCCC12CN(C(=O)[C@@H]1[C@H]3C=CS[C@H]31)C2 | 1,846,052,546 | [C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][C][N][Branch1][#C][C][=Branch1][C][=O][C@@H1][C@H1][C][=C][S][C@H1][Ring1][Branch1][Ring1][=Branch1][C][Ring1][N] |
C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)N1CCC([C@@H]2NC(=O)C2(C)C)CC1 | 571,871,506 | [C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][N][C][C][C][Branch1][=C][C@@H1][N][C][=Branch1][C][=O][C][Ring1][Branch1][Branch1][C][C][C][C][C][Ring1][=N] |
O=C1NCCN(C(=O)c2coc(-c3ccccc3Cl)n2)[C@@H]1c1cccs1 | 537,361,004 | [O][=C][N][C][C][N][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][C][=C][O][C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=N][Ring1][N][C@@H1][Ring2][Ring1][Ring2][C][=C][C][=C][S][Ring1][Branch1] |
CCN(CC)CCN(CCOC)S(=O)(=O)c1cc(Cl)ccc1OC | 486,248,313 | [C][C][N][Branch1][Ring1][C][C][C][C][N][Branch1][Branch1][C][C][O][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C] |
C(#CC1CCCC1)COCCCC1CNC1 | 2,245,364,190 | [C][#Branch1][=Branch2][#C][C][C][C][C][C][Ring1][Branch1][C][O][C][C][C][C][C][N][C][Ring1][Ring2] |
COC(=O)Cc1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1F | 421,116,226 | [C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][#Branch1][F] |
Cc1cc(C(=O)NC2CCN(C(=O)NC3CCC(C)(O)CC3)CC2)c(C)o1 | 749,607,666 | [C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][C][C][Branch1][C][O][C][C][Ring1][Branch2][C][C][Ring1][P][=C][Branch1][C][C][O][Ring2][Ring1][#Branch2] |
O=C(O)[C@H]1CCN(CCOC[C@H]2CCCO2)c2ccc(Br)cc21 | 1,594,933,115 | [O][=C][Branch1][C][O][C@H1][C][C][N][Branch1][N][C][C][O][C][C@H1][C][C][C][O][Ring1][Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring2] |
COc1ncc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)CN2CCN(C)CC2)cc1F | 1,797,835,329 | [C][O][C][=N][C][=C][Branch2][Ring2][Ring2][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][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][Ring2][Ring1][O][F] |
C#CCOc1ccc(C(=O)N2CC[C@H](NCCC=C)[C@H](C)C2)cc1 | 1,271,439,256 | [C][#C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=Branch1][N][C][C][C][=C][C@H1][Branch1][C][C][C][Ring1][N][C][=C][Ring2][Ring1][Ring2] |
C[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@]2(C)CN(C)C2=O)CCCO1 | 1,693,907,375 | [C][C@H1][C][N][Branch2][Ring2][Branch1][C][=N][N][=C][Branch1][=C][C][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][N][Ring1][=C][C][C@][Branch1][C][C][C][N][Branch1][C][C][C][Ring1][=Branch1][=O][C][C][C][O][Ring2][Ring1][=N] |
C[C@H]1C(=O)N(C)CCN1c1nnc(CCc2ccccc2)n1CC1(S(C)(=O)=O)CC1 | 1,707,954,944 | [C][C@H1][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][Ring1][Branch2][C][=N][N][=C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring1][=N][C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch1] |
CN[C@](C#N)(COc1cccc(Br)c1[N+](=O)[O-])C(C)C | 2,240,857,179 | [C][N][C@][Branch1][Ring1][C][#N][Branch2][Ring1][Ring1][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][C][C] |
CCN(C)[C@H](C)C(=O)Nc1cc([C@@H]2CCCCN2C(=O)c2cncnc2C)[nH]n1 | 1,821,623,879 | [C][C][N][Branch1][C][C][C@H1][Branch1][C][C][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][=C][N][=C][N][=C][Ring1][=Branch1][C][NH1][N][=Ring2][Ring1][Ring2] |
Cc1cccc(-c2nnc3n2C[C@@H](C(=O)NCc2ccc4c(c2)CCO4)CC3)c1 | 648,902,163 | [C][C][=C][C][=C][C][Branch2][Ring2][#Branch1][C][=N][N][=C][N][Ring1][Branch1][C][C@@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1][=C][Ring2][Ring1][N] |
CC(C)(C)OC(=O)[C@H]1CC[C@@H](C(=O)N2CCC(c3nncn3C3CC3)CC2)O1 | 578,054,817 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C@H1][C][C][C@@H1][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][=N][N][=C][N][Ring1][Branch1][C][C][C][Ring1][Ring1][C][C][Ring1][=C][O][Ring2][Ring1][Branch1] |
CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC2(O)CC2)C[C@H]1C | 1,313,859,388 | [C][C][N][C][C@@H1][Branch1][C][C][N][Branch2][Ring2][=Branch1][C][=N][N][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][#Branch2][N][Ring1][#C][C][C][Branch1][C][O][C][C][Ring1][Ring2][C][C@H1][Ring2][Ring1][O][C] |
COc1ccccc1C(=O)COC(=O)c1ccc(-n2cnc3ccccc32)nc1 | 769,080,126 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][N][=C][Ring1][#C] |
CC(F)(F)C(C)(C)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(=O)n2[nH]nnc2n1 | 1,847,877,192 | [C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][C][C@H1][C@@H1][Ring1][Branch1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=Branch1][C][=O][N][NH1][N][=N][C][Ring1][Branch1][=N][Ring1][#Branch2] |
CCN(CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(OC)cc1Br | 589,233,937 | [C][C][N][Branch1][Ring1][C][C][C][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][Br] |
C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1NC(=O)CC[C@@H]1C[C@H](C(=O)O)CO1 | 1,594,406,096 | [C][C@@H1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C@H1][Branch1][C][C][C@@H1][Ring1][=C][N][C][=Branch1][C][=O][C][C][C@@H1][C][C@H1][Branch1][=Branch1][C][=Branch1][C][=O][O][C][O][Ring1][Branch2] |
Cc1ccc(C#N)c(NC2(C(F)F)CC2)n1 | 697,422,089 | [C][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=C][N][C][Branch1][=Branch1][C][Branch1][C][F][F][C][C][Ring1][=Branch1][=N][Ring1][#C] |
O=C(NC1(c2ccc(NC(=O)C(F)(F)Cl)cc2)CCC1)c1ncccn1 | 1,791,721,302 | [O][=C][Branch2][Ring2][C][N][C][Branch2][Ring1][Branch2][C][=C][C][=C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][Cl][C][=C][Ring1][=N][C][C][C][Ring1][P][C][=N][C][=C][C][=N][Ring1][=Branch1] |
O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1C[C@@H](CCBr)C1 | 1,906,434,783 | [O][=C][Branch1][S][C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][N][C@H1][C][C@@H1][Branch1][Ring2][C][C][Br][C][Ring1][#Branch1] |
CCOc1cc2c(cc1NC(=O)C(=O)N1CCCO[C@@H](CC)C1)O[C@H](C)C2 | 440,116,765 | [C][C][O][C][=C][C][=C][Branch2][Ring1][O][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][O][C@@H1][Branch1][Ring1][C][C][C][Ring1][=Branch2][O][C@H1][Branch1][C][C][C][Ring2][Ring1][=Branch1] |
C=C(C(=O)[C@@H]1[C@@H](OC)[C@@H](OC)CN1C(=O)OC(C)(C)C)C(C)(C)C | 2,025,207,406 | [C][=C][Branch2][Ring1][P][C][=Branch1][C][=O][C@@H1][C@@H1][Branch1][Ring1][O][C][C@@H1][Branch1][Ring1][O][C][C][N][Ring1][=Branch2][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C] |
O=C(Nc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1C[C@H](c2ccccc2F)C1 | 1,609,566,358 | [O][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][Ring1][O][C][=Branch1][C][=O][N][C@H1][C][C@H1][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][C][Ring1][O] |
COCCOc1cncc(C(=O)Nc2c(SC)cnn2-c2ccccc2)c1 | 510,227,619 | [C][O][C][C][O][C][=C][N][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][=C][Branch1][Ring1][S][C][C][=N][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] |
Cc1c(CC(=O)Nc2ccc(NC(=O)CN(C)C)cc2)nnn1-c1ccccc1 | 465,363,858 | [C][C][=C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][N][N][C][=Branch1][C][=O][C][N][Branch1][C][C][C][C][=C][Ring1][=N][N][=N][N][Ring2][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CNC(=O)c1ccc(NCC2(N(C)Cc3ccccc3)CCOCC2)c([N+](=O)[O-])c1 | 1,458,583,040 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][Branch1][=C][N][Branch1][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][O][C][C][Ring1][#C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][#Branch2] |
Cc1csc(C(=O)N2CCC[C@H](C)[C@H]2CCl)c1Br | 2,039,337,553 | [C][C][=C][S][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][C][C@H1][Branch1][C][C][C@H1][Ring1][#Branch1][C][Cl][=C][Ring1][S][Br] |
Cc1nnc(Cc2nnc(N3CCC(c4ccncn4)CC3)n2CC(C)C)o1 | 1,344,835,639 | [C][C][=N][N][=C][Branch2][Ring2][Ring2][C][C][=N][N][=C][Branch2][Ring1][Ring1][N][C][C][C][Branch1][=Branch2][C][=C][C][=N][C][=N][Ring1][=Branch1][C][C][Ring1][N][N][Ring1][P][C][C][Branch1][C][C][C][O][Ring2][Ring1][O] |
O=C(C1=COCC1)N1CCOC[C@@]2(C1)CN(C(=O)c1cccc(=O)n1O)CCO2 | 1,833,479,295 | [O][=C][Branch1][Branch2][C][=C][O][C][C][Ring1][Branch1][N][C][C][O][C][C@@][Branch1][Ring2][C][Ring1][#Branch1][C][N][Branch1][P][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Ring1][#Branch1][O][C][C][O][Ring1][P] |
CN(CC(=O)N(C)C1CCCCC1)C(=O)NCc1cccc(-n2cncn2)c1 | 605,179,665 | [C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][Ring1][O] |
C[C@@H]1C[C@@H]1c1cc(NC(=O)C(=O)Nc2ccccc2OCC(F)(F)F)[nH]n1 | 191,000,359 | [C][C@@H1][C][C@@H1][Ring1][Ring1][C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Branch1][C][F][Branch1][C][F][F][NH1][N][=Ring2][Ring1][#Branch1] |
COC(=O)c1cc(S(=O)(=O)Nc2cnc(C(F)(F)F)cc2C)ccc1C | 589,557,629 | [C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Branch1][C] |
COC(=O)[C@H](C)CN(CN1C[C@@H]2CN(Cc3ccccc3)CC[C@@H]2C1=O)C1CC1 | 844,690,868 | [C][O][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][N][Branch2][Ring1][O][C][N][C][C@@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C@@H1][Ring1][=N][C][Ring1][S][=O][C][C][C][Ring1][Ring1] |
C[C@@H](CNC(=O)C(=O)N1CC[C@H](Cc2ccc(F)cc2)C1)Cc1cccs1 | 565,619,939 | [C][C@@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Ring1][=N][C][C][=C][C][=C][S][Ring1][Branch1] |
C=CCO[C@@H](C)C(=O)N[C@H](C)CN(C)C(=O)c1coc2ccccc12 | 1,738,829,109 | [C][=C][C][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][O][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1] |
CNC(=O)CCN(C)C(=O)Nc1ccnn1Cc1ccc(OC(F)(F)F)cc1 | 189,614,757 | [C][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=N][N][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O] |
CO[C@H](CNC(=O)C(=O)NCc1ccc(Oc2ccccc2)nc1)C(F)(F)F | 1,322,622,218 | [C][O][C@H1][Branch2][Ring1][S][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][=N][C][Branch1][C][F][Branch1][C][F][F] |
C[C@H](NC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12)c1ccc(N2CCNC2=O)cc1 | 823,494,759 | [C][C@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C@H1][C][C@@][Ring1][Ring1][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][Ring1][Branch1][=O][C][=C][Ring1][N] |
CC[C@H](OC)C(=O)N(CCN(C)c1cccc(F)c1-c1nn[nH]n1)C(C)C | 1,577,001,688 | [C][C][C@H1][Branch1][Ring1][O][C][C][=Branch1][C][=O][N][Branch2][Ring1][=Branch2][C][C][N][Branch1][C][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][Branch1][C][C][C] |
Cc1csc([C@@H](NC(=O)COc2cccc(N3CCCC3=O)c2)C2CC2)n1 | 173,401,184 | [C][C][=C][S][C][Branch2][Ring2][Ring1][C@@H1][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][=C][Ring1][N][C][C][C][Ring1][Ring1][=N][Ring2][Ring1][#Branch2] |
CC(=O)Nc1cccc([C@@H](C)NC(=O)NC[C@@H](O)Cc2cccc(Cl)c2)c1 | 875,057,002 | [C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][N][C@@H1][Branch1][C][C][N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][=C][Ring2][Ring1][#Branch1] |
CCCN1CCCN(c2nnc(C(C)(C)C)n2Cc2cc(C)nn2C)CC1=O | 1,728,144,541 | [C][C][C][N][C][C][C][N][Branch2][Ring1][=C][C][=N][N][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][=Branch2][C][C][=C][C][Branch1][C][C][=N][N][Ring1][=Branch1][C][C][C][Ring2][Ring1][Branch2][=O] |
CCN(CC#N)C(=O)c1ccc(C(=O)OC)o1 | 119,938,266 | [C][C][N][Branch1][Ring2][C][C][#N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][O][Ring1][=Branch2] |
Cc1cn(-c2c(F)cccc2F)nc1C(=O)NC[C@@H](C)CN1CCOCC1 | 191,732,342 | [C][C][=C][N][Branch1][=N][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][F][N][=C][Ring1][=N][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
O=C(NCC1(c2cccc(Cl)c2F)CCCC1)N1CCN2[C@H](CNS2(=O)=O)C1 | 1,564,561,924 | [O][=C][Branch2][Ring1][Branch2][N][C][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][C][C][C][Ring1][=N][N][C][C][N][C@H1][Branch1][#Branch2][C][N][S][Ring1][Branch1][=Branch1][C][=O][=O][C][Ring1][O] |
CN(C)C(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)N[C@@H](c1ccncc1)C1CCC1)C2 | 1,550,211,582 | [C][N][Branch1][C][C][C][=Branch1][C][=O][C][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][N][C@@H1][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][Ring2][C][Ring2][Ring1][=Branch1] |
O=C(NCCCOC1CCCCC1)C(=O)N1CCC(N2CCCCC2)CC1 | 559,494,419 | [O][=C][Branch1][=C][N][C][C][C][O][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch2][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][N] |
O=C(c1ccc(-c2cccnc2)cc1)N1CCC([C@H]2CCCCN2C(=O)c2n[nH]c3ccccc23)CC1 | 1,828,591,951 | [O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][N][N][C][C][C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][#Branch1] |
O=C(Nc1ccc(OC(F)(F)F)cc1)NC1(C(=O)O)Cc2ccccc2C1 | 559,431,663 | [O][=C][Branch2][Ring1][Branch1][N][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
O=C(Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1)N1CCCc2ccccc21 | 506,528,187 | [O][=C][Branch2][Ring2][#Branch2][C][C][=C][C][=C][Branch2][Ring1][=N][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][Ring2][Ring1][Branch2][N][C][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2] |
CCCS(=O)(=O)N1CCC[C@H]1C(=O)Nc1cccc(N2C(=O)COCC2=O)c1 | 477,624,450 | [C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=N][N][C][=Branch1][C][=O][C][O][C][C][Ring1][#Branch1][=O][=C][Ring1][=C] |
CC1(C)CN(C(=O)C(=O)Nc2cccc(OCCc3ccccc3)c2)CCN1 | 415,818,520 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][N][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][C][C][N][Ring2][Ring1][O] |
CCn1cc([C@@H]2CS(=O)(=O)CCN2C[C@H](O)CN2C[C@H](C)O[C@H](C)C2)cn1 | 483,015,063 | [C][C][N][C][=C][Branch2][Ring2][Ring1][C@@H1][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][Branch2][C][C@H1][Branch1][C][O][C][N][C][C@H1][Branch1][C][C][O][C@H1][Branch1][C][C][C][Ring1][Branch2][C][=N][Ring2][Ring1][=Branch2] |
COc1cc(-c2nc(-c3nccc(C)n3)no2)cc(Cl)c1OCC(N)=O | 350,541,966 | [C][O][C][=C][C][Branch2][Ring1][Branch1][C][=N][C][Branch1][N][C][=N][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1][=N][O][Ring1][N][=C][C][Branch1][C][Cl][=C][Ring2][Ring1][Ring1][O][C][C][Branch1][C][N][=O] |
Cc1cccc(C2=CCN(C(=O)c3ccc4c(=O)n(C)c(S)nc4c3)CC2)c1 | 181,256,318 | [C][C][=C][C][=C][C][Branch2][Ring2][Branch2][C][=C][C][N][Branch2][Ring1][N][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][Branch1][C][S][=N][C][Ring1][=Branch2][=C][Ring1][=N][C][C][Ring2][Ring1][Branch1][=C][Ring2][Ring1][O] |
C#CC(C)(C)N1CCC[C@@H](C)C1 | 685,950,405 | [C][#C][C][Branch1][C][C][Branch1][C][C][N][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1] |
COC[C@H](CNC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1)OC | 512,126,425 | [C][O][C][C@H1][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][C][=C][C][C][Branch1][C][C][=N][N][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][C][=Ring1][=N][S][Ring1][S][O][C] |
CC(C)C[C@@]1(C)CC(=O)N(CN2CCC[C@H](CNC(=O)C(F)(F)F)C2)C1=O | 811,785,285 | [C][C][Branch1][C][C][C][C@@][Branch1][C][C][C][C][=Branch1][C][=O][N][Branch2][Ring1][#Branch2][C][N][C][C][C][C@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][=C][C][Ring2][Ring1][=Branch1][=O] |
CC(C)(C)OC(=O)Nc1cc(C(=O)Nc2ccn(CC(F)(F)F)n2)ccn1 | 1,352,672,597 | [C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][=C][N][Branch1][#Branch2][C][C][Branch1][C][F][Branch1][C][F][F][N][=Ring1][#Branch2][=C][C][=N][Ring2][Ring1][Ring1] |
COc1ccc(/C=C(/C)C(=O)Nc2nn(C(C)(C)C)cc2-c2nn[nH]n2)cc1F | 1,605,270,431 | [C][O][C][=C][C][=C][Branch2][Ring2][Ring1][/C][=C][Branch1][C][/C][C][=Branch1][C][=O][N][C][=N][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][=Branch2][C][N][=N][NH1][N][=Ring1][Branch1][C][=C][Ring2][Ring1][#Branch2][F] |
CC(C)[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)c1cnc2n1CCCCC2 | 862,616,138 | [C][C][Branch1][C][C][C@@H1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][N][Ring1][=N][C][=Branch1][C][=O][C][=C][N][=C][N][Ring1][Branch1][C][C][C][C][C][Ring1][#Branch1] |
CNC(=O)[C@H]1CN(C(=O)NCc2cccc3ccsc23)C[C@H]1c1cnn(C)c1 | 1,554,037,349 | [C][N][C][=Branch1][C][=O][C@H1][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][C][=C][S][C][Ring1][=Branch2][=Ring1][Branch1][C][C@H1][Ring2][Ring1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] |
COC(=O)C[C@H](NC(=O)c1oc(C(=O)O)cc1C)c1ccc(SC)cc1 | 1,598,841,885 | [C][O][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=Ring1][Branch2][C][C][=C][C][=C][Branch1][Ring1][S][C][C][=C][Ring1][Branch2] |
Cc1ccc2c(C(=O)N3[C@H]4CC[C@H]3CC(O)C4)cc(-c3cnn(C)c3)nc2c1C | 933,127,715 | [C][C][=C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][C][Branch1][C][O][C][Ring1][Branch2][=C][C][Branch1][O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][=N][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O][C] |
CC(C)N(C)S(=O)(=O)N1CCC[C@@H](CNC(=O)OCc2ccccc2)C1 | 795,269,927 | [C][C][Branch1][C][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][P][C][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][C] |
CCOC(=O)CC[C@H]1CCCN(C(=O)NCCCN2CCCO[C@@H](C)C2)C1 | 617,918,692 | [C][C][O][C][=Branch1][C][=O][C][C][C@H1][C][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][N][C][C][C][O][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][Ring2][Ring1][Ring2] |
COc1ccc(Br)c2[nH]c(C(=O)NC[C@@H](C)N3CCCC3)cc12 | 516,389,962 | [C][O][C][=C][C][=C][Branch1][C][Br][C][NH1][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C@@H1][Branch1][C][C][N][C][C][C][C][Ring1][Branch1][=C][C][Ring2][Ring1][Branch1][=Ring1][S] |
C[C@@H]1CN(C(=O)c2ccc(Cl)o2)C[C@H]1NCc1ccc(-c2nn[nH]n2)s1 | 1,590,298,148 | [C][C@@H1][C][N][Branch1][#C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][O][Ring1][=Branch1][C][C@H1][Ring1][=N][N][C][C][=C][C][=C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][S][Ring1][#Branch2] |