smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
CN=[S@@](C)(=O)c1cccc(NC(=O)NCCN2C(=O)Cc3ccccc32)c1 | 879,841,790 | [C][N][=S@@][Branch1][C][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#Branch2][=C][Ring2][Ring1][=Branch1] |
COc1cscc1C(=O)N1CC2(CCCN2C(=O)[C@H](C)Cc2ccco2)C1 | 1,846,640,303 | [C][O][C][=C][S][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][#Branch1][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring2][Ring1][C] |
CCO[C@@H]1C[C@@H](NCC(=O)N(C)Cc2ccc(OC(F)F)cc2)C12CCC2 | 451,473,536 | [C][C][O][C@@H1][C][C@@H1][Branch2][Ring1][N][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2][C][Ring2][Ring1][Branch1][C][C][C][Ring1][Ring2] |
Cc1nc(CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)CC[C@H]2CCCCO2)sc1C | 1,111,082,588 | [C][C][N][=C][Branch2][Ring1][N][C][N][C@H1][C][C][C@@H1][Ring1][Branch1][C][C@H1][Ring1][=Branch1][N][C][=Branch1][C][=O][C][C][C@H1][C][C][C][C][O][Ring1][=Branch1][S][C][=Ring2][Ring1][Branch2][C] |
CC#CCCCC(=O)N[C@@H]1CCC[C@H](NC(=O)CC(C)(F)F)C1 | 1,509,771,540 | [C][C][#C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][C@H1][Branch1][#C][N][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][F][F][C][Ring1][=C] |
COc1cc(CNC(=O)[C@@H]2CCc3cnn(C)c3C2)ccc1OCCC(C)C | 281,371,995 | [C][O][C][=C][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][#Branch2][=C][C][=C][Ring2][Ring1][Ring2][O][C][C][C][Branch1][C][C][C] |
CC[C@H](C)[C@@](C)(O)Cn1c(CC2CC2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 | 1,693,955,294 | [C][C][C@H1][Branch1][C][C][C@@][Branch1][C][C][Branch1][C][O][C][N][C][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][=N][N][=C][Ring1][=Branch2][N][C][C][C][C@H1][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Ring1][#Branch2] |
CC(C)[C@@H]1N(C)C[C@]12C[C@H](O)[C@H](NC(=O)C[C@@H]1CCC[C@H](C(F)(F)F)O1)C2 | 1,550,617,212 | [C][C][Branch1][C][C][C@@H1][N][Branch1][C][C][C][C@][Ring1][Branch1][C][C@H1][Branch1][C][O][C@H1][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][C@@H1][C][C][C][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][O][Ring1][#Branch2][C][Ring2][Ring1][Ring2] |
CCN(C[C@H]1CCCO1)c1nnc(-c2cccc([N+](=O)[O-])c2)n1C[C@@](C)(O)CC | 1,295,721,551 | [C][C][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][=N][N][=C][Branch1][S][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][Ring1][=C][C][C@@][Branch1][C][C][Branch1][C][O][C][C] |
C=C[C@H](C)N(C)C1(CN)C[C@H]2[C@H](C1)C2(C)C | 1,994,478,131 | [C][=C][C@H1][Branch1][C][C][N][Branch1][C][C][C][Branch1][Ring1][C][N][C][C@H1][C@H1][Branch1][Ring2][C][Ring1][#Branch1][C][Ring1][Ring2][Branch1][C][C][C] |
Cc1nccn1CCCN(C)C(=O)C(=O)N(C)Cc1ccc(OC(F)F)cc1 | 297,803,796 | [C][C][=N][C][=C][N][Ring1][Branch1][C][C][C][N][Branch1][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][Ring1][#Branch2] |
Cc1cnc([C@H](C)CNC(=O)c2ccc(S[C@H]3CCOC3=O)cc2)s1 | 186,371,723 | [C][C][=C][N][=C][Branch2][Ring1][=C][C@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][S][C@H1][C][C][O][C][Ring1][Branch1][=O][C][=C][Ring1][=N][S][Ring2][Ring1][Branch2] |
COCCN(C)CCCn1c(-c2ccccc2F)nnc1N1CC[C@]2(CNC(=O)C2)C1 | 1,771,077,216 | [C][O][C][C][N][Branch1][C][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][#Branch2][C][N][C][=Branch1][C][=O][C][Ring1][=Branch1][C][Ring1][#Branch2] |
CCn1nc(NC(=O)C(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)cc1C1CC1 | 284,212,889 | [C][C][N][N][=C][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][Branch1][#Branch1][C][N][Branch1][C][C][C][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][=C][Ring2][Ring1][Branch2][C][C][C][Ring1][Ring1] |
Cc1sc2[nH]c(CCC(=O)N[C@@H]3CCCO[C@H]3CC(C)C)nc(=O)c2c1C | 187,328,261 | [C][C][S][C][NH1][C][Branch2][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][O][C@H1][Ring1][=Branch1][C][C][Branch1][C][C][C][=N][C][=Branch1][C][=O][C][=Ring2][Ring1][=Branch1][C][=Ring2][Ring1][=Branch2][C] |
C=CCC1(C(=O)N2CC(NC(=O)CO[C@H]3CCC[C@@H](C)C3)C2)CCC1 | 1,704,552,899 | [C][=C][C][C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C@H1][C][C][C][C@@H1][Branch1][C][C][C][Ring1][#Branch1][C][Ring1][S][C][C][C][Ring2][Ring1][=Branch1] |
CCOC(=O)c1oc2ccccc2c1CNC(=O)c1cccc(CC(=O)O)c1 | 1,596,755,110 | [C][C][O][C][=Branch1][C][=O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][=Branch2][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][Ring1][#Branch2] |
CCOC(=O)c1c(NC(=O)C2CCN(C(=O)COC)CC2)sc(C(=O)N(C)C)c1C | 1,860,630,151 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][C][N][Branch1][Branch2][C][=Branch1][C][=O][C][O][C][C][C][Ring1][O][S][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][Ring2][Ring1][Branch2][C] |
COCCN1C(=O)CCc2cc(NC(=O)C(=O)N(C)[C@@H](C)C3CCC3)ccc21 | 442,095,312 | [C][O][C][C][N][C][=Branch1][C][=O][C][C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][C][C][C][Ring1][Ring2][=C][C][=C][Ring2][Ring1][Ring1][Ring2][Ring1][Branch2] |
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1ccnc(N2CCN(C(=O)OC(C)(C)C)CC2)c1 | 1,626,024,545 | [C][C@H1][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][N][Ring1][=Branch2][C][=Branch1][C][=O][C][=C][C][=N][C][Branch2][Ring1][Branch2][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][Ring1] |
COc1cncc(CCC(=O)Nc2ccc(C3(NC(=O)c4cccc5cc(C)[nH]c45)CCC3)cc2)c1 | 1,786,841,936 | [C][O][C][=C][N][=C][C][Branch2][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#C][C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][C][=C][Branch1][C][C][NH1][C][Ring1][#Branch2][=Ring1][=Branch1][C][C][C][Ring1][P][C][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][C] |
C=C(C[C@H](NC)[C@H](O)[C@@H]1CC(C)(C)CN1C(=O)OC(C)(C)C)OC | 2,004,208,505 | [C][=C][Branch2][Ring2][Branch1][C][C@H1][Branch1][Ring1][N][C][C@H1][Branch1][C][O][C@@H1][C][C][Branch1][C][C][Branch1][C][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][O][C] |
CCC[C@@H](NC(C)C)C(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 | 483,194,284 | [C][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][P][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=N][Ring1][#Branch1][C][Ring1][S] |
Cc1cc(CC(=O)Nc2ncn(Cc3cccc(Br)c3)n2)n[nH]1 | 130,377,032 | [C][C][=C][C][Branch2][Ring1][N][C][C][=Branch1][C][=O][N][C][N][=C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][=Ring1][=N][=N][NH1][Ring2][Ring1][=Branch1] |
COC(=O)[C@H](OC(=O)CNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1 | 791,265,607 | [C][O][C][=Branch1][C][=O][C@H1][Branch2][Ring1][Ring2][O][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2] |
CC[S@](=O)CCn1c(CC(C)C)nnc1N1CC[C@H](Cc2ccccc2)C1 | 1,747,465,335 | [C][C][S@][=Branch1][C][=O][C][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=Branch2][N][C][C][C@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
Cn1c(=O)c2ccc(C(=O)NC3(c4ccc(Cl)cc4)CCC3)nc2n(C)c1=O | 108,907,711 | [C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C][Ring1][O][N][=C][Ring2][Ring1][Ring2][N][Branch1][C][C][C][Ring2][Ring1][#Branch2][=O] |
Cc1cn(-c2ccccc2)nc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 | 106,724,524 | [C][C][=C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][=C][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][C][O][Ring1][Branch2] |
O[C@@H](CNC[C@H](O)c1ccccc1C(F)(F)F)COc1ccccc1Cl | 843,069,912 | [O][C@@H1][Branch2][Ring1][Branch2][C][N][C][C@H1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
O=S1(=O)CC[C@H](CN[C@H]2CCCc3nc(-c4ccccc4F)sc32)C1 | 268,759,549 | [O][=S][=Branch1][C][=O][C][C][C@H1][Branch2][Ring1][O][C][N][C@H1][C][C][C][C][N][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][F][S][C][=Ring1][N][Ring1][S][C][Ring2][Ring1][Branch2] |
O=C(CCCS(=O)(=O)N1CCCC1)Nc1ccc(NC(=O)C2CC2)cc1 | 298,746,834 | [O][=C][Branch2][Ring1][C][C][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1][N][C][=C][C][=C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][C][=C][Ring1][N] |
CCOc1ccsc1C(=O)N1CC2(CCCN2C(=O)CCc2ccco2)C1 | 1,842,068,287 | [C][C][O][C][C][=C][S][C][=Ring1][Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][=C][C][=C][O][Ring1][Branch1][C][Ring1][P] |
Cc1cc2ncc(C(=O)N3CCC[C@@H](Cn4cnc5ccccc54)C3)c(C)n2n1 | 684,752,454 | [C][C][C][=C][N][=C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Branch1][#C][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Ring1][S][=C][Branch1][C][C][N][Ring2][Ring1][=Branch2][N][=Ring2][Ring1][N] |
CCc1cc(C(=O)N2CCCC[C@@H]2c2cc(NC(=O)/C=C/c3ccc(C)s3)n[nH]2)cc(C)n1 | 1,822,732,954 | [C][C][C][=C][C][Branch2][Ring2][Branch2][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch2][Ring1][C][N][C][=Branch1][C][=O][/C][=C][/C][=C][C][=C][Branch1][C][C][S][Ring1][=Branch1][=N][NH1][Ring1][S][=C][C][Branch1][C][C][=N][Ring2][Ring1][#C] |
Cc1ccc(NCCC(=O)N2CCC3(CCCN(C(=O)C45CC(C(F)(F)F)(C4)C5)C3)CC2)c(C)c1 | 1,806,194,438 | [C][C][=C][C][=C][Branch2][Branch1][#Branch1][N][C][C][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring2][Ring2][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][Branch1][Ring2][C][Ring1][Branch2][C][Ring1][=Branch2][C][Ring1][P][C][C][Ring2][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring2][C] |
C#CC(C)(C)CO[C@](C)(C(=O)O)[C@H]1C[C@H]1C | 1,978,841,050 | [C][#C][C][Branch1][C][C][Branch1][C][C][C][O][C@][Branch1][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C@H1][C][C@H1][Ring1][Ring1][C] |
O=C(c1ccc2nc[nH]c2c1)N1CC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2 | 1,778,507,861 | [O][=C][Branch1][=C][C][=C][C][=C][N][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2][N][C][C][C@@][Branch1][Ring2][C][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][S][Ring1][Branch1][C][C][O][Ring1][=C] |
Cc1cccc(CCNC(=O)C(=O)NCc2cccc(Cn3cccn3)c2)c1 | 477,388,309 | [C][C][=C][C][=C][C][Branch2][Ring1][S][C][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][Branch1][=Branch2][C][N][C][=C][C][=N][Ring1][Branch1][=C][Ring1][N][=C][Ring2][Ring1][O] |
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1nccn1)c1cnn(-c2cccnc2)c1 | 1,800,243,031 | [O][=C][Branch2][Ring1][N][N][C@@H1][C][C@@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][#Branch1][N][Ring1][=Branch1][C][=Branch1][C][=O][C][N][N][=C][C][=N][Ring1][Branch1][C][C][=N][N][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=Ring1][O] |
Cc1nc(-c2ccc(CCNC(=O)NCCCO[C@H]3CCOC3)cc2)cs1 | 464,751,817 | [C][C][=N][C][Branch2][Ring1][S][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][N][C][=Branch1][C][=O][N][C][C][C][O][C@H1][C][C][O][C][Ring1][Branch1][C][=C][Ring2][Ring1][Branch1][=C][S][Ring2][Ring1][#Branch2] |
CSc1cccc(C(=O)N2CC3(CCCN3C(=O)c3c(-c4ccccc4)cn4ccccc34)C2)c1O | 1,844,675,621 | [C][S][C][=C][C][=C][C][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][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][C][=C][C][=C][C][=Ring1][#C][Ring1][=Branch1][C][Ring2][Ring1][=Branch2][=C][Ring2][Ring1][P][O] |
Cc1c(Br)cnn1CC(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 | 1,566,287,607 | [C][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][C][Ring1][=N] |
CN(C)c1c(CNc2ccc(C(=O)NCCC(N)=O)cc2)ccc(F)c1F | 623,545,926 | [C][N][Branch1][C][C][C][=C][Branch2][Ring1][=Branch2][C][N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][=O][C][=C][Ring1][=C][C][=C][C][Branch1][C][F][=C][Ring2][Ring1][#Branch1][F] |
C#CCCCn1c(-c2cc(Br)cn2C)nnc1N1CCO[C@@]2(CCO[C@@H]2C)C1 | 1,760,147,950 | [C][#C][C][C][C][N][C][Branch1][N][C][=C][C][Branch1][C][Br][=C][N][Ring1][=Branch1][C][=N][N][=C][Ring1][N][N][C][C][O][C@@][Branch1][Branch2][C][C][O][C@@H1][Ring1][Branch1][C][C][Ring1][O] |
CCc1ccc([C@H](C)NC(=O)[C@H](C)Sc2nncn2CCCOC)cc1 | 124,569,672 | [C][C][C][=C][C][=C][Branch2][Ring1][O][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][=N][N][=C][N][Ring1][Branch1][C][C][C][O][C][C][=C][Ring2][Ring1][Branch2] |
C#CCC[C@@H](N)CNC[C@@H]1CCCC(F)(F)C1 | 2,000,055,086 | [C][#C][C][C][C@@H1][Branch1][C][N][C][N][C][C@@H1][C][C][C][C][Branch1][C][F][Branch1][C][F][C][Ring1][Branch2] |
COc1ccc(C[C@H](CO)CNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cc1O | 268,629,315 | [C][O][C][=C][C][=C][Branch2][Ring1][=N][C][C@H1][Branch1][Ring1][C][O][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C][C@H1][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring2][Ring1][Branch2][O] |
C=C(C)Cn1c(-c2cccn2C)nnc1N1C[C@@H]2CCCN2C[C@@H]1C | 292,781,405 | [C][=C][Branch1][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][N][Ring1][Branch1][C][=N][N][=C][Ring1][O][N][C][C@@H1][C][C][C][N][Ring1][Branch1][C][C@@H1][Ring1][=Branch2][C] |
CC(C)(C#N)CCn1ccnc1[N+](=O)[O-] | 702,698,628 | [C][C][Branch1][C][C][Branch1][Ring1][C][#N][C][C][N][C][=C][N][=C][Ring1][Branch1][N+1][=Branch1][C][=O][O-1] |
N#C[C@@H]1CCC[C@@H]1NC(=O)CC1C[C@@H]2C[C@H]2C1 | 1,950,081,443 | [N][#C][C@@H1][C][C][C][C@@H1][Ring1][Branch1][N][C][=Branch1][C][=O][C][C][C][C@@H1][C][C@H1][Ring1][Ring1][C][Ring1][=Branch1] |
COC[C@@H](C)Cn1c(-c2ccccc2)nnc1N1CCC[C@@H](c2ccnn2C)C1 | 1,769,204,654 | [C][O][C][C@@H1][Branch1][C][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][C][C@@H1][Branch1][=Branch2][C][=C][C][=N][N][Ring1][Branch1][C][C][Ring1][N] |
CCC[C@@H]1CN(S(=O)(=O)Cc2ccccc2[N+](=O)[O-])CCN1CCOC | 184,781,792 | [C][C][C][C@@H1][C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][N][Ring2][Ring1][Ring1][C][C][O][C] |
CCOC(=O)Cn1nc(-c2ccccc2)cc1NC(=O)c1cc([N+](=O)[O-])n[nH]1 | 503,702,536 | [C][C][O][C][=Branch1][C][=O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][NH1][Ring1][Branch2] |
C=CC[C@@]1(COCCc2ccncc2)CCCN1 | 2,259,592,732 | [C][=C][C][C@@][Branch1][=N][C][O][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][C][C][N][Ring1][#C] |
CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)cc1 | 21,338,591 | [C][C][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][C][C][=Branch1][C][=O][C@H1][Branch1][C][C][S][C][=N][N][=C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][=C][Ring2][Ring1][O] |
CC(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H](O)C(C)C)cc1 | 1,793,234,882 | [C][C][Branch1][C][C][C][C][=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@@H1][Branch1][C][O][C][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2] |
CN1CCN(c2cccc(C(=O)N3CCCN4c5ccccc5C[C@@H]4C3)n2)CC1 | 427,026,689 | [C][N][C][C][N][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C@@H1][Ring1][=Branch2][C][Ring1][=C][=N][Ring2][Ring1][=Branch1][C][C][Ring2][Ring1][N] |
CCCC(=O)NC[C@@H]1CCCN(C(=O)Nc2cc(C)n(-c3ccccc3)n2)C1 | 536,825,838 | [C][C][C][C][=Branch1][C][=O][N][C][C@@H1][C][C][C][N][Branch2][Ring1][#Branch2][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][Ring2][Ring1][Branch1] |
CCn1cc(O[C@@H]2CN([C@H](C)C(=O)Nc3ccc(Cl)cc3C)C[C@@H]2O)cn1 | 1,549,593,842 | [C][C][N][C][=C][Branch2][Ring2][Ring1][O][C@@H1][C][N][Branch2][Ring1][=Branch1][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][C@@H1][Ring2][Ring1][C][O][C][=N][Ring2][Ring1][=Branch2] |
COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CCc2c(nnn2C)C1)OC(C)C | 654,533,056 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][=C][Branch1][#Branch1][N][=N][N][Ring1][Branch1][C][C][Ring1][#Branch2][O][C][Branch1][C][C][C] |
CN(C(=O)c1cc(B(O)O)n[nH]1)[C@H]1CCN(Cc2ccccc2)C1 | 2,247,782,928 | [C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=N][NH1][Ring1][Branch2][C@H1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N] |
CC#CCCCC(=O)N(C)CCNC(=O)[C@H](C)c1cccc(OC)c1 | 1,284,537,180 | [C][C][#C][C][C][C][C][=Branch1][C][=O][N][Branch1][C][C][C][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][C][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2] |
C=CCC(C)(C)C(=O)N1[C@H]2CC[C@H]1CN(C(=O)[C@H](CC)SC)C2 | 1,578,322,829 | [C][=C][C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C@H1][Ring1][Branch1][C][N][Branch1][N][C][=Branch1][C][=O][C@H1][Branch1][Ring1][C][C][S][C][C][Ring1][=C] |
CN(Cc1nc(O)c2sccc2n1)[C@H](c1cccc(F)c1)c1cnn(C)c1 | 533,428,482 | [C][N][Branch2][Ring1][C][C][C][=N][C][Branch1][C][O][=C][S][C][=C][C][Ring1][Branch1][=N][Ring1][#Branch2][C@H1][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1] |
COc1ccc(CCC2CCN(C(=O)c3nc(N)nc(N4CCOCC4)n3)CC2)cc1 | 1,587,733,799 | [C][O][C][=C][C][=C][Branch2][Ring2][Branch2][C][C][C][C][C][N][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=N][C][Branch1][C][N][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][=N][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][=N] |
CS(=O)(=O)N1CCC[C@@H]1C(=O)N1CCn2c(cc3c(Cl)cccc32)C1 | 683,636,105 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][N][C][=Branch1][#C][=C][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][Ring1][=C] |
CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2ccncc2)c1 | 504,005,384 | [C][N][C][=Branch1][C][=O][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][=C][Ring2][Ring1][=Branch1] |
CC[C@H](C)[C@@H](N)C(=O)N1CCCC[C@@H]1c1cc(NC(=O)c2cccc(C)c2)n[nH]1 | 1,820,530,420 | [C][C][C@H1][Branch1][C][C][C@@H1][Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C][=C][C][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][C][=C][Ring1][#Branch1][=N][NH1][Ring1][#C] |
CN1CCC/C1=N/S(=O)(=O)c1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)cc1 | 743,115,313 | [C][N][C][C][C][/C][Ring1][Branch1][=N][/S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C@@H1][C][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][#Branch1][C][C][=C][Ring2][Ring1][Ring2] |
C[C@@H]1CN(Cc2csc(NC(=O)N3CC[C@H]4CC[C@@H](C3)N4)n2)C[C@@H](C)O1 | 333,146,548 | [C][C@@H1][C][N][Branch2][Ring1][S][C][C][=C][S][C][Branch2][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][C@H1][C][C][C@@H1][Branch1][Ring2][C][Ring1][Branch2][N][Ring1][=Branch1][=N][Ring1][P][C][C@@H1][Branch1][C][C][O][Ring2][Ring1][=Branch2] |
CO[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)[C@@H]1CCc2ccccc21)C(C)C | 1,769,650,893 | [C][O][C@H1][Branch2][Ring2][=Branch1][C][N][C][Branch1][O][C@@H1][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][=N][N][=C][Ring1][O][N][Branch1][C][C][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][Branch1][C][C][C] |
C#Cc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)NC(=O)C#CC2CC2)cc1 | 1,577,428,507 | [C][#C][C][=C][C][=C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][C][C][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][C][N][C][=Branch1][C][=O][C][#C][C][C][C][Ring1][Ring1][C][=C][Ring2][Ring1][Branch2] |
C#CC[C@H](NC)[C@@H]1CCC[C@@H]2C[C@@H]21 | 691,788,984 | [C][#C][C][C@H1][Branch1][Ring1][N][C][C@@H1][C][C][C][C@@H1][C][C@@H1][Ring1][Ring1][Ring1][#Branch1] |
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2cn[nH]c2)CC1 | 678,121,729 | [O][=S][=Branch1][C][=O][Branch1][=N][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Cl][N][C][C][N][Branch1][=Branch2][C][C][C][=N][NH1][C][=Ring1][Branch1][C][C][Ring1][N] |
CCN1C(=O)C[C@H](C(=O)Nc2cccc(-n3ccnn3)c2)[C@H]1c1cccnc1 | 649,187,950 | [C][C][N][C][=Branch1][C][=O][C][C@H1][Branch2][Ring1][#Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][N][=N][Ring1][Branch1][=C][Ring1][O][C@H1][Ring2][Ring1][Ring2][C][=C][C][=C][N][=C][Ring1][=Branch1] |
COc1ccc(C)cc1-c1csc(NC(=O)CC2(CS(C)(=O)=O)CC2)n1 | 176,795,229 | [C][O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][=C][S][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][C][Branch1][#Branch2][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][Branch2][=N][Ring1][P] |
Cc1ncccc1CCNC(=O)NCc1ccccc1CN1CCC[C@H]1CO | 894,109,531 | [C][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][N][C][=Branch1][C][=O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][C][C@H1][Ring1][Branch1][C][O] |
CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N(C)CC2CCN(C[C@H](C)O)CC2)C1 | 572,549,981 | [C][C][Branch1][C][C][N][C][=Branch1][C][=O][C@H1][C][C][C][C@@H1][Branch2][Ring1][#C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][Branch1][C][C][C][C][C][C][N][Branch1][#Branch1][C][C@H1][Branch1][C][C][O][C][C][Ring1][#Branch2][C][Ring2][Ring1][Branch2] |
O=C(NC[C@H]1CN(Cc2ccccc2)CC12CCOCC2)c1cccc([N+](=O)[O-])c1 | 507,266,385 | [O][=C][Branch2][Ring1][N][N][C][C@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2] |
CC1(C)CN(c2nnc([C@@H]3CCNC(=O)CC3)n2CC2CC2)CC(C)(C)O1 | 1,518,451,586 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][N][C][=N][N][=C][Branch1][=N][C@@H1][C][C][N][C][=Branch1][C][=O][C][C][Ring1][Branch2][N][Ring1][=N][C][C][C][C][Ring1][Ring1][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][#Branch2] |
CCN1CC[C@H](Cn2c(CC(C)C)nnc2N2C[C@@H](C)O[C@]3(CCOC3)C2)C1 | 1,710,233,722 | [C][C][N][C][C][C@H1][Branch2][Ring2][Ring2][C][N][C][Branch1][#Branch1][C][C][Branch1][C][C][C][=N][N][=C][Ring1][=Branch2][N][C][C@@H1][Branch1][C][C][O][C@][Branch1][#Branch1][C][C][O][C][Ring1][Branch1][C][Ring1][O][C][Ring2][Ring1][#Branch2] |
CC(C)OC(=O)C[C@H](NC(=O)[C@@H]1CCCC(=O)N1)c1ccccc1[N+](=O)[O-] | 611,142,884 | [C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C@H1][Branch1][P][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][=Branch1][C][=O][N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1] |
CCc1ccc([C@@H]2CNCCN2C(=O)CCOc2ccc(C(N)=O)cc2)cc1 | 261,627,735 | [C][C][C][=C][C][=C][Branch2][Ring1][#C][C@@H1][C][N][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][O][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch2] |
COc1cc(C)ccc1C(=O)N1CC2(CCCN2C(=O)c2cccc([C@H](F)c3cccc(F)c3)c2)C1 | 1,845,280,373 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][Branch2][Ring2][Ring2][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][S][C@H1][Branch1][C][F][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][=C][Ring1][#C][C][Ring2][Ring1][=Branch2] |
C#CCCCN(C)C[C@]1(F)CC[C@H](CN)CC1 | 2,019,976,621 | [C][#C][C][C][C][N][Branch1][C][C][C][C@][Branch1][C][F][C][C][C@H1][Branch1][Ring1][C][N][C][C][Ring1][=Branch2] |
O=C(NCC(F)(F)F)[C@@H]1CCN(c2nnc([C@H]3CCCO3)n2CCN2CC=CCC2)C1 | 1,731,212,580 | [O][=C][Branch1][O][N][C][C][Branch1][C][F][Branch1][C][F][F][C@@H1][C][C][N][Branch2][Ring1][O][C][=N][N][=C][Branch1][Branch2][C@H1][C][C][C][O][Ring1][Branch1][N][Ring1][#Branch2][C][C][N][C][C][=C][C][C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1] |
COc1ccccc1[C@](N)(C(=O)N1CCN(c2cc(C)nc3ncnn23)CC1)C(F)(F)F | 482,944,583 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C@][Branch1][C][N][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][C][=C][C][Branch1][C][C][=N][C][=N][C][=N][N][Ring1][#Branch2][Ring1][Branch1][C][C][Ring1][S][C][Branch1][C][F][Branch1][C][F][F] |
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)N1CCN(c2ccccc2)CC1 | 773,909,198 | [C][O][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][Ring1][N][/C][=C][Branch1][Ring1][\C][#N][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N] |
C=C(C)CCC(=O)OCC[C@@H]1CCNC1=O | 1,525,783,450 | [C][=C][Branch1][C][C][C][C][C][=Branch1][C][=O][O][C][C][C@@H1][C][C][N][C][Ring1][Branch1][=O] |
C=CCCC1(C(=O)N2CC=C(CNC(=O)[C@@H]3CCCCO3)CC2)CC1 | 1,718,864,659 | [C][=C][C][C][C][Branch2][Ring1][=N][C][=Branch1][C][=O][N][C][C][=C][Branch1][#C][C][N][C][=Branch1][C][=O][C@@H1][C][C][C][C][O][Ring1][=Branch1][C][C][Ring1][S][C][C][Ring2][Ring1][Branch1] |
Cn1cc2cc(C(=O)N3CC[C@H]4CO[C@@H](CNC(=O)c5ncnn5C)[C@H]4C3)ccc2n1 | 1,785,852,730 | [C][N][C][=C][C][=C][Branch2][Ring2][Ring1][C][=Branch1][C][=O][N][C][C][C@H1][C][O][C@@H1][Branch1][#C][C][N][C][=Branch1][C][=O][C][=N][C][=N][N][Ring1][Branch1][C][C@H1][Ring1][#C][C][Ring2][Ring1][Ring1][C][=C][C][Ring2][Ring1][O][=N][Ring2][Ring1][=C] |
CCOCCN(C(=O)C(=O)Nc1cc(C)cc(C)n1)[C@@H]1CCc2ccccc21 | 627,891,867 | [C][C][O][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][C][=C][C][Branch1][C][C][=N][Ring1][Branch2][C@@H1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2] |
C=C(C[C@H](NN)c1ncsc1C1CC1)OC | 1,980,995,427 | [C][=C][Branch2][Ring1][Ring1][C][C@H1][Branch1][Ring1][N][N][C][N][=C][S][C][=Ring1][Branch1][C][C][C][Ring1][Ring1][O][C] |
CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1c2c(nn1C)CCCC2 | 601,976,548 | [C][C][O][C][=Branch1][C][=O][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=Branch1][=Branch1][=N][N][Ring1][Branch1][C][C][C][C][C][Ring1][=Branch2] |
CCOC(=O)CC(C)(C)CC(=O)C(=O)c1cn(C)cn1 | 819,761,100 | [C][C][O][C][=Branch1][C][=O][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][N][Branch1][C][C][C][=N][Ring1][=Branch1] |
O=C([C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1)N(CCO)CCN1CCOCC1 | 478,015,394 | [O][=C][Branch2][Ring1][=N][C@H1][C][C][=Branch1][C][=O][N][Branch1][P][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][Ring1][S][N][Branch1][Ring2][C][C][O][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
Cc1cc(C#N)ccc1CO[C@@H]1CCN[C@H]1C | 1,908,493,948 | [C][C][=C][C][Branch1][Ring1][C][#N][=C][C][=C][Ring1][Branch2][C][O][C@@H1][C][C][N][C@H1][Ring1][Branch1][C] |
O=C(NC[C@@H]1CCC2(CCC2)CO1)N1CCC(Oc2cncc(Cl)n2)CC1 | 1,333,257,212 | [O][=C][Branch2][Ring1][C][N][C][C@@H1][C][C][C][Branch1][=Branch1][C][C][C][Ring1][Ring2][C][O][Ring1][=Branch2][N][C][C][C][Branch1][=N][O][C][=C][N][=C][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][C][Ring1][=C] |
C=CCCC(=O)N1CCC[C@]2(CCN(Cc3ccc(CO)cc3)C2)C1 | 1,327,527,227 | [C][=C][C][C][C][=Branch1][C][=O][N][C][C][C][C@][Branch2][Ring1][=Branch1][C][C][N][Branch1][=C][C][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2][C][Ring1][=C][C][Ring2][Ring1][Ring1] |
COc1cccc(-c2nnc(N3CCCCCC3)n2C[C@H]2CCOC2)c1OC | 461,692,190 | [C][O][C][=C][C][=C][C][Branch2][Ring1][O][C][=N][N][=C][Branch1][#Branch2][N][C][C][C][C][C][C][Ring1][#Branch1][N][Ring1][N][C][C@H1][C][C][O][C][Ring1][Branch1][=C][Ring2][Ring1][Branch2][O][C] |