smiles
large_stringlengths 5
271
| zinc_id
int64 213
2.38B
| SELFIES
stringlengths 13
1.1k
|
|---|---|---|
Cc1cccn2ncc(C(=O)NC[C@@H]3CCN(C(=O)c4cccc([C@H](C)C#N)c4)[C@@H]3c3cccnc3)c12 | 1,812,272,855 | [C][C][=C][C][=C][N][N][=C][C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][C@@H1][C][C][N][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#Branch1][C@H1][Branch1][C][C][C][#N][=C][Ring1][#Branch2][C@@H1][Ring1][P][C][=C][C][=C][N][=C][Ring1][=Branch1][=C][Ring2][Ring2][Ring2][Ring2][Ring1][S] |
COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccs3)nc2C)c1 | 515,449,567 | [C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Branch2][C][=C][C][=C][S][Ring1][Branch1][N][=C][Ring1][O][C][=C][Ring2][Ring1][Branch1] |
C[C@@H](C1CC1)N(C)S(=O)(=O)N[C@H](C)c1ccc(Oc2cccnc2)cc1 | 558,090,661 | [C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@H1][Branch1][C][C][C][=C][C][=C][Branch1][#Branch2][O][C][=C][C][=C][N][=C][Ring1][=Branch1][C][=C][Ring1][=N] |
CCn1ncc2ccc(NC(=O)N3CCC[C@H]3c3ccc(N(C)C)nn3)cc21 | 644,331,214 | [C][C][N][N][=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][Branch1][=Branch1][N][Branch1][C][C][C][N][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][#Branch1][Ring2][Ring1][#Branch2] |
C[C@H](NC(=O)COC(=O)COCc1ccncc1)c1cccc2ccccc12 | 1,346,229,442 | [C][C@H1][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][C][O][C][=Branch1][C][=O][C][O][C][C][=C][C][=N][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1] |
O=C(CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O)NCCc1cccnc1 | 107,547,255 | [O][=C][Branch2][Ring1][O][C][C][C@H1][N][C][=Branch1][C][=O][N][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring1][=N][=O][N][C][C][C][=C][C][=C][N][=C][Ring1][=Branch1] |
O=C1CC[C@@H](C(=O)NC[C@H]2CCN(C(=O)c3ccc(O)nn3)[C@H]2c2cccnc2)N1 | 1,806,635,925 | [O][=C][C][C][C@@H1][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C@H1][C][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][O][N][=N][Ring1][#Branch1][C@H1][Ring1][=C][C][=C][C][=C][N][=C][Ring1][=Branch1][N][Ring2][Ring1][=N] |
COc1cc(C)ccc1C(=O)N1CCC([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccc(C)cc23)CC1 | 1,825,097,776 | [C][O][C][=C][C][Branch1][C][C][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][=C][C@@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][C][=C][NH1][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring2][Ring1][=Branch2] |
O=C1CCCN1CCCc1nnc(N2CC[C@@H](C3CC3)C2)n1Cc1cccs1 | 1,122,925,646 | [O][=C][C][C][C][N][Ring1][Branch1][C][C][C][C][=N][N][=C][Branch1][#C][N][C][C][C@@H1][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][Ring1][Branch2][N][Ring1][=N][C][C][=C][C][=C][S][Ring1][Branch1] |
CC1CCN(Cc2cccc(CNCc3cccc(NC(=O)c4ccccc4Cl)c3)c2)CC1 | 591,712,705 | [C][C][C][C][N][Branch2][Ring2][=Branch2][C][C][=C][C][=C][C][Branch2][Ring1][N][C][N][C][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring1][S][=C][Ring2][Ring1][=Branch2][C][C][Ring2][Ring1][S] |
COc1ccc(CCCC(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(F)F)cc1 | 493,219,256 | [C][O][C][=C][C][=C][Branch2][Ring1][=C][C][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@H1][Branch1][C][O][C][Branch1][C][F][F][C][=C][Ring2][Ring1][=Branch2] |
CCC(CC)[C@@H](CCn1c(-c2ccccn2)nnc1N1CCN(c2ccccc2C#N)CC1)OC | 1,613,504,359 | [C][C][C][Branch1][Ring1][C][C][C@@H1][Branch2][Ring2][Branch2][C][C][N][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][=N][N][=C][Ring1][O][N][C][C][N][Branch1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][#N][C][C][Ring1][=C][O][C] |
CC[C@]1(C)NC(=O)N(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)C1=O | 784,847,440 | [C][C][C@][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=C][C][Ring2][Ring1][Branch2][=O] |
NS(=O)(=O)N1CCC(C(=O)Nc2cc(Cl)ncc2I)CC1 | 1,852,002,160 | [N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][I][C][C][Ring1][P] |
C[C@@H]1CCS(=O)(=O)CCN1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1 | 432,308,954 | [C][C@@H1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][N][Ring1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][Ring1][N] |
Cc1cc(CNC(=O)c2cn(CC3(C)COC3)nn2)ccc1Br | 564,178,845 | [C][C][=C][C][Branch2][Ring1][#Branch2][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][O][C][C][Branch1][C][C][C][O][C][Ring1][Branch1][N][=N][Ring1][O][=C][C][=C][Ring2][Ring1][Branch1][Br] |
CCCCCn1nc(C(=O)N2CCC(NCC3CC3)CC2)c2ccccc2c1=O | 236,699,158 | [C][C][C][C][C][N][N][=C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch1][Branch2][N][C][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O] |
CC[C@H](C#N)N(CC)C(=O)CC1CCC(C(C)(C)CC)CC1 | 1,289,299,947 | [C][C][C@H1][Branch1][Ring1][C][#N][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][C][Branch1][#Branch2][C][Branch1][C][C][Branch1][C][C][C][C][C][C][Ring1][O] |
CCn1ncnc1CNC(=O)C(=O)Nc1cccc(COC2CCCCC2)c1 | 485,013,047 | [C][C][N][N][=C][N][=C][Ring1][Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][O][C][O][C][C][C][C][C][C][Ring1][=Branch1][=C][Ring1][=C] |
C[C@H](C#N)OCCN1C[C@H]2[C@H]3CC[C@H](C3)[C@@]2(C)C1 | 1,654,946,925 | [C][C@H1][Branch1][Ring1][C][#N][O][C][C][N][C][C@H1][C@H1][C][C][C@H1][Branch1][Ring2][C][Ring1][Branch1][C@@][Ring1][#Branch1][Branch1][C][C][C][Ring1][O] |
NC(=O)CC1(CNC(=O)Nc2nc(-c3ccccc3)c(CC(=O)O)s2)CC1 | 1,601,146,437 | [N][C][=Branch1][C][=O][C][C][Branch2][Ring1][P][C][N][C][=Branch1][C][=O][N][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][S][Ring1][#C][C][C][Ring2][Ring1][#Branch1] |
COC(=O)c1cn([C@@H]2CCCN(S(=O)(=O)c3ccc(C(=O)OC)c(Cl)c3)C2)nn1 | 547,280,970 | [C][O][C][=Branch1][C][=O][C][=C][N][Branch2][Ring2][#Branch1][C@@H1][C][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][=C][Ring1][O][C][Ring2][Ring1][Ring2][N][=N][Ring2][Ring1][=Branch2] |
CCn1c(C)nnc1CN1CCCCC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 | 969,041,899 | [C][C][N][C][Branch1][C][C][=N][N][=C][Ring1][=Branch1][C][N][C][C][C][C][C][C@H1][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C@@H1][C][C@H1][C][C][C@@H1][Ring1][=Branch1][O][Ring1][Branch1] |
O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)Nc1cccc(-n2cccc2)c1 | 527,178,949 | [O][=C][Branch2][Ring1][Branch2][C][C][N][C][C][N][Branch1][N][C][=Branch1][C][=O][C@@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][=N][N][C][=C][C][=C][C][Branch1][Branch2][N][C][=C][C][=C][Ring1][Branch1][=C][Ring1][O] |
O=C(c1ccc(C(F)(F)F)[nH]1)N1CCC([C@H]2CCCCN2C(=O)c2ccc3occc3c2)CC1 | 1,828,257,920 | [O][=C][Branch2][Ring1][C][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][NH1][Ring1][=Branch2][N][C][C][C][Branch2][Ring1][#Branch2][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][C][=C][O][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][C][Ring2][Ring1][#Branch1] |
Cc1csc(CN[C@@H](CC#N)C(F)(F)F)n1 | 922,648,098 | [C][C][=C][S][C][Branch1][P][C][N][C@@H1][Branch1][Ring2][C][C][#N][C][Branch1][C][F][Branch1][C][F][F][=N][Ring1][#C] |
Cc1cccc(NC(=O)N2CC[C@H](NC(=O)NC3CC3)C2)c1C(=O)N1CCCC1 | 273,952,546 | [C][C][=C][C][=C][C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][N][N][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][Ring1][N][=C][Ring2][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Branch1] |
CCC(CC)(CNC(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1)c1ccc(F)cc1 | 662,191,878 | [C][C][C][Branch1][Ring1][C][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C][C][C@@H1][O][C][C][=Branch1][C][=O][N][C@H1][Ring1][#Branch1][C][Ring1][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
COC1CCC(CC(=O)N2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)CC1 | 814,149,320 | [C][O][C][C][C][C][Branch2][Ring2][Ring1][C][C][=Branch1][C][=O][N][C][C][C@@H1][C@H1][Branch2][Ring1][Ring1][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][S][C][C][Ring2][Ring1][=Branch2] |
C[C@@](NC(=O)CNc1ccccc1Cl)(C(N)=O)c1cccc(C(F)(F)F)c1 | 674,119,337 | [C][C@@][Branch1][P][N][C][=Branch1][C][=O][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2] |
O=C(O)c1c(F)ccc(NC(=O)N2CC[C@H](Oc3cccc(F)c3)C2)c1F | 1,602,224,097 | [O][=C][Branch1][C][O][C][=C][Branch1][C][F][C][=C][C][Branch2][Ring1][O][N][C][=Branch1][C][=O][N][C][C][C@H1][Branch1][=N][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring1][=N][=C][Ring2][Ring1][#Branch1][F] |
Cn1ccnc1[C@@H](CC(=O)NCCN1CCN(S(C)(=O)=O)CC1)C(F)(F)F | 1,543,905,705 | [C][N][C][=C][N][=C][Ring1][Branch1][C@@H1][Branch2][Ring1][O][C][C][=Branch1][C][=O][N][C][C][N][C][C][N][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][#Branch2][C][Branch1][C][F][Branch1][C][F][F] |
COCC1(CNC(=O)c2ccc(Cl)nc2)CCN(C(=O)OC(C)(C)C)CC1 | 791,431,233 | [C][O][C][C][Branch2][Ring1][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Branch2] |
COc1cccc2cc3c(nc12)[C@@H](C1=Cc2cc(Br)ccc2OC1)NCC3 | 963,044,127 | [C][O][C][=C][C][=C][C][=C][C][=C][Branch1][#Branch1][N][=C][Ring1][#Branch2][Ring1][=Branch1][C@@H1][Branch2][Ring1][C][C][=C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][C][Ring1][O][N][C][C][Ring2][Ring1][Ring1] |
CNC(=O)CCCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1C[C@@H]1CC1(C)C | 1,554,460,933 | [C][N][C][=Branch1][C][=O][C][C][C][N][Branch1][C][C][C][=N][N][=C][Branch1][=C][C@H1][Branch1][C][C][N][S][Branch1][C][C][=Branch1][C][=O][=O][N][Ring1][N][C][C@@H1][C][C][Ring1][Ring1][Branch1][C][C][C] |
O=C(Nc1c(Br)cnn1C1CC1)c1ccc2c(c1[N+](=O)[O-])OCCCO2 | 1,135,098,727 | [O][=C][Branch1][P][N][C][=C][Branch1][C][Br][C][=N][N][Ring1][=Branch1][C][C][C][Ring1][Ring1][C][=C][C][=C][C][=Branch1][=Branch2][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][O][C][C][C][O][Ring1][O] |
CNC(=O)c1cc(Oc2ccccc2NC(=O)c2ccc3nn[nH]c3n2)ccn1 | 1,137,055,551 | [C][N][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][N][O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][N][=N][NH1][C][Ring1][Branch1][=N][Ring1][=Branch2][=C][C][=N][Ring2][Ring1][=Branch2] |
Cn1cncc1C(=O)N1CCCC2(CCN(C(=O)C(=O)c3ccccc3)CC2)C1 | 1,808,534,942 | [C][N][C][=N][C][=C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][C][Branch2][Ring1][#Branch2][C][C][N][Branch1][P][C][=Branch1][C][=O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S][C][Ring2][Ring1][Branch1] |
C#CCC1(C(=O)NC2CCN(C(=O)c3ccoc3C)CC2)CCC1 | 1,703,487,714 | [C][#C][C][C][Branch2][Ring1][N][C][=Branch1][C][=O][N][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][C][=C][O][C][=Ring1][Branch1][C][C][C][Ring1][=C][C][C][C][Ring2][Ring1][Branch1] |
COCCC[C@@H](Cc1ccccc1)NC(=O)c1cccc(N2C(=O)CCC2=O)c1 | 471,328,832 | [C][O][C][C][C][C@@H1][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][N][N][C][=Branch1][C][=O][C][C][C][Ring1][=Branch1][=O][=C][Ring1][=N] |
CC1(C)CN(c2nnc(C3CCC3)n2Cc2ccc(C(N)=O)cc2)CC(C)(C)O1 | 1,542,009,272 | [C][C][Branch1][C][C][C][N][Branch2][Ring1][S][C][=N][N][=C][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][N][Ring1][=Branch2][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][N][=O][C][=C][Ring1][=Branch2][C][C][Branch1][C][C][Branch1][C][C][O][Ring2][Ring1][N] |
Cc1cc(-n2cncn2)ccc1C(=O)Nc1cccc(C(=O)Nc2ccccn2)c1 | 173,393,319 | [C][C][=C][C][Branch1][Branch2][N][C][=N][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][=Branch1][C][=O][N][C][=C][C][=C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][Ring1][=Branch1][=C][Ring1][#C] |
C#CCCCCCC(=O)N[C@@]12CCC[C@H]1N(C(=O)c1cnco1)CC2 | 1,718,712,015 | [C][#C][C][C][C][C][C][C][=Branch1][C][=O][N][C@@][C][C][C][C@H1][Ring1][Branch1][N][Branch1][N][C][=Branch1][C][=O][C][=C][N][=C][O][Ring1][Branch1][C][C][Ring1][#C] |
Cc1ccc(C2=NO[C@H](CNS(=O)(=O)Cc3cccc(Cl)c3)C2)cc1 | 808,313,361 | [C][C][=C][C][=C][Branch2][Ring1][P][C][=N][O][C@H1][Branch2][Ring1][=Branch1][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][Ring2][Ring1][C][C][=C][Ring2][Ring1][Branch2] |
O=C(CCCOc1cccc(Br)c1)N[C@@H](CO)Cc1ccccc1 | 501,488,051 | [O][=C][Branch1][S][C][C][C][O][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][N][C@@H1][Branch1][Ring1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCn1cnc(S(=O)(=O)N2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)c1 | 776,790,122 | [C][C][N][C][=N][C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][C@@H1][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][=O][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][N] |
Cc1nc(Cc2nnc(N3CCC[C@H](C(N)=O)C3)n2CCNC(=O)c2ccco2)cs1 | 1,290,430,534 | [C][C][=N][C][Branch2][Ring2][Branch2][C][C][=N][N][=C][Branch1][S][N][C][C][C][C@H1][Branch1][=Branch1][C][Branch1][C][N][=O][C][Ring1][=Branch2][N][Ring1][=C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][O][Ring1][Branch1][=C][S][Ring2][Ring1][=C] |
C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@@H]1CNCC[C@@H]1c1ccc(F)cc1 | 423,461,381 | [C][C@H1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C@@H1][Ring1][=N][N][C][C@@H1][C][N][C][C][C@@H1][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1] |
C=CCO[C@H](C)C(=O)Nc1ccc(C2(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)CCC2)cc1 | 1,786,368,289 | [C][=C][C][O][C@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Branch2][C][Branch2][Ring1][=C][N][C][=Branch1][C][=O][C@H1][C][C][=Branch1][C][=O][N][Branch1][=N][C][=C][Branch1][C][C][C][=C][C][=C][Ring1][#Branch1][C][C][Ring1][=C][C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O] |
Cc1cc(NC(=O)NCc2nc(C(F)(F)F)cs2)n(-c2ccccn2)n1 | 172,591,313 | [C][C][C][=C][Branch2][Ring1][=Branch2][N][C][=Branch1][C][=O][N][C][C][=N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][S][Ring1][=Branch2][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][N][=Ring2][Ring1][=Branch2] |
C=CCCCCONC(=N)c1cccnc1 | 842,024,661 | [C][=C][C][C][C][C][O][N][C][=Branch1][C][=N][C][=C][C][=C][N][=C][Ring1][=Branch1] |
Cc1ccc(NC(=O)C(F)(F)c2ncccc2C)cc1NC(=O)CCN(C)C | 192,839,037 | [C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=N][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][N][Branch1][C][C][C] |
Cc1nn(C)c2ncc(NC(=O)C(=O)NC[C@H]3CCC4(CCCCC4)O3)cc12 | 683,036,977 | [C][C][=N][N][Branch1][C][C][C][=N][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C@H1][C][C][C][Branch1][Branch2][C][C][C][C][C][Ring1][=Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][O][Ring2][Ring1][#Branch1] |
COC(=O)[C@@H](CS(=O)(=O)N[C@@H]1CCN(C(C)(C)C)C1)NC(=O)OCc1ccccc1 | 2,286,035,257 | [C][O][C][=Branch1][C][=O][C@@H1][Branch2][Ring1][O][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C@@H1][C][C][N][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][=Branch2][N][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CC1(C)C[C@@H](NC(=O)C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2)CCO1 | 559,592,747 | [C][C][Branch1][C][C][C][C@@H1][Branch2][Ring1][S][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][O][Ring2][Ring1][#Branch2] |
Cn1cc(C(=O)NNC(=O)c2cc([N+](=O)[O-])c[nH]2)nn1 | 808,376,857 | [C][N][C][=C][Branch2][Ring1][=Branch2][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][NH1][Ring1][Branch2][N][=N][Ring2][Ring1][Ring1] |
C[C@H]1CN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC[C@@H]1CCC(=O)O | 578,853,020 | [C][C@H1][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][C][C@@H1][Ring2][Ring1][Ring2][C][C][C][=Branch1][C][=O][O] |
C[C@H](c1ccccc1)N1CCN(C(=O)C(=O)Nc2cccc3nccnc23)CC1 | 890,973,581 | [C][C@H1][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][N][Branch2][Ring1][Branch2][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][=C][C][=C][C][=N][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][Ring2][Ring1][Branch1] |
O=C(CN1CCN(Cc2cccc(Cl)c2)C(=O)C1)NCc1ccccc1F | 468,121,138 | [O][=C][Branch2][Ring1][O][C][N][C][C][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Ring1][#C][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][F] |
Cc1[nH]nc(C(=O)NCCCNc2cc(-c3nn[nH]n3)ccc2[N+](=O)[O-])c1C | 1,591,793,270 | [C][C][NH1][N][=C][Branch2][Ring1][S][C][=Branch1][C][=O][N][C][C][C][N][C][=C][C][Branch1][Branch2][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1][C][=Ring2][Ring1][#Branch2][C] |
CCCN(CC1CC1)c1nnc([C@@H]2CCCNC2)n1C[C@H](C)N1CCOCC1 | 1,577,513,327 | [C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=N][N][=C][Branch1][=Branch2][C@@H1][C][C][C][N][C][Ring1][=Branch1][N][Ring1][O][C][C@H1][Branch1][C][C][N][C][C][O][C][C][Ring1][=Branch1] |
CC[C@@H](C)c1nnc(N2CCN(CC)[C@@H](C)C2)n1CC1(SC)CCOCC1 | 1,305,538,736 | [C][C][C@@H1][Branch1][C][C][C][=N][N][=C][Branch1][S][N][C][C][N][Branch1][Ring1][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch2][N][Ring1][=C][C][C][Branch1][Ring1][S][C][C][C][O][C][C][Ring1][Branch2] |
Cc1cc(C(=O)N2CCOC[C@H]2c2nn[nH]n2)ccc1NC(=O)OC(C)(C)C | 1,635,091,345 | [C][C][=C][C][Branch2][Ring1][Ring2][C][=Branch1][C][=O][N][C][C][O][C][C@H1][Ring1][=Branch1][C][N][=N][NH1][N][=Ring1][Branch1][=C][C][=C][Ring2][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C] |
COc1ccc2cc([C@@]3(C)NC(=O)N(CC(=O)c4cnn(C)c4)C3=O)ccc2c1 | 741,165,507 | [C][O][C][=C][C][=C][C][=C][Branch2][Ring1][S][C@@][Branch1][C][C][N][C][=Branch1][C][=O][N][Branch1][S][C][C][=Branch1][C][=O][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][Ring1][S][=O][C][=C][C][Ring2][Ring1][#Branch1][=C][Ring2][Ring1][O] |
COCCOc1ccccc1CNC(=O)C(=O)N1CCN(C[C@H]2CCCO2)CC1 | 671,369,109 | [C][O][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][N][Branch1][=Branch2][C][C@H1][C][C][C][O][Ring1][Branch1][C][C][Ring1][N] |
CS(=O)(=O)N1CCc2c(NC(=O)C(=O)N3CCO[C@H](C(F)(F)F)C3)cccc21 | 680,432,685 | [C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][=C][Branch2][Ring1][N][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][O][C@H1][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Ring1][#Branch2][C][=C][C][=C][Ring2][Ring1][Branch1][Ring2][Ring1][Branch2] |
O=C(COc1cccc(NC(=O)N2CCC[C@H]2Cc2ccccc2Cl)c1)Nc1ccccc1 | 510,626,879 | [O][=C][Branch2][Ring2][Branch1][C][O][C][=C][C][=C][C][Branch2][Ring1][#Branch1][N][C][=Branch1][C][=O][N][C][C][C][C@H1][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl][=C][Ring2][Ring1][=Branch1][N][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCN(CC)CCn1c(NC(=O)c2occ3c2CCOC3)nc2ccccc21 | 375,616,608 | [C][C][N][Branch1][Ring1][C][C][C][C][N][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][O][C][=C][C][=Ring1][Branch1][C][C][O][C][Ring1][=Branch1][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch1] |
COc1ccncc1Cn1c(C(=O)NC(C)C)nnc1N1CC[C@@](C)(N2CCOCC2)C1 | 1,712,024,499 | [C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][C][N][C][Branch1][O][C][=Branch1][C][=O][N][C][Branch1][C][C][C][=N][N][=C][Ring1][O][N][C][C][C@@][Branch1][C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][C][Ring1][N] |
CCc1nnc(Sc2ncc([N+](=O)[O-])s2)[nH]1 | 195,507,481 | [C][C][C][=N][N][=C][Branch1][S][S][C][=N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][S][Ring1][Branch2][NH1][Ring1][=C] |
C[C@@H]1C[C@H](c2ccc(C(F)(F)F)cc2)N(C(=O)C(=O)N[C@H]2CCCOCC2)C1 | 512,032,450 | [C][C@@H1][C][C@H1][Branch2][Ring1][Ring1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C@H1][C][C][C][O][C][C][Ring1][#Branch1][C][Ring2][Ring1][O] |
COCCn1c(N2CC[C@H]3NC(=O)CC[C@H]3C2)nnc1C12CCC(CC1)CC2 | 1,343,133,163 | [C][O][C][C][N][C][Branch2][Ring1][C][N][C][C][C@H1][N][C][=Branch1][C][=O][C][C][C@H1][Ring1][#Branch1][C][Ring1][O][=N][N][=C][Ring1][S][C][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][C][Ring1][Branch2] |
CCC[C@@H](NC(C)=O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc[n+]([O-])cc3)CCO2)C1 | 1,785,446,984 | [C][C][C][C@@H1][Branch1][#Branch1][N][C][Branch1][C][C][=O][C][=Branch1][C][=O][N][C][C][C@@][Branch2][Ring1][=Branch2][C][N][Branch1][S][C][=Branch1][C][=O][C][=C][C][=N+1][Branch1][C][O-1][C][=C][Ring1][#Branch1][C][C][O][Ring1][#C][C][Ring2][Ring1][Ring1] |
C[C@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)NC(c1ccccc1)c1ccccc1 | 16,335,494 | [C][C@H1][Branch2][Ring1][Branch2][S][C][=N][N][=C][Branch1][=C][N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][Ring1][=C][C][=Branch1][C][=O][N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1] |
CCOc1cc(C=O)c(Cl)cc1C#N | 2,054,848,565 | [C][C][O][C][=C][C][Branch1][Ring1][C][=O][=C][Branch1][C][Cl][C][=C][Ring1][=Branch2][C][#N] |
O=C(O)[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccccc3)CC2)[C@@H]2CCCC[C@@H]12 | 659,193,632 | [O][=C][Branch1][C][O][C@@H1][C][C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][C][C][N][Branch1][=N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=C][C@@H1][C][C][C][C][C@@H1][Ring2][Ring1][#Branch2][Ring1][=Branch1] |
C[Si](C)(C)C#CCCCC(=O)N[C@@H]1CCc2nc(NC(=O)c3ccc4cccnc4n3)sc2C1 | 1,818,975,869 | [C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][C][C][C][=Branch1][C][=O][N][C@@H1][C][C][C][N][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=N][Ring1][#Branch2][S][C][=Ring2][Ring1][C][C][Ring2][Ring1][=Branch1] |
C#Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)c2cscc2C)cc1 | 1,734,760,161 | [C][#C][C][=C][C][=C][Branch2][Ring1][O][C][=Branch1][C][=O][N][Branch1][C][C][C@@H1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][S][C][=C][Ring1][Branch1][C][C][=C][Ring2][Ring1][=Branch1] |
CCOc1ccc(NC(=O)C(=O)N2CCCC[C@H]2CCC(=O)NC)cc1F | 508,656,280 | [C][C][O][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][C][=Branch1][C][=O][N][C][C][C][C][C@H1][Ring1][=Branch1][C][C][C][=Branch1][C][=O][N][C][C][=C][Ring2][Ring1][#Branch1][F] |
C#CCN(C(=O)[C@@H]1CCC(=O)[C@@H](C)C1)C1CC1 | 491,809,745 | [C][#C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C@@H1][C][C][C][=Branch1][C][=O][C@@H1][Branch1][C][C][C][Ring1][Branch2][C][C][C][Ring1][Ring1] |
CCC(CC)n1nc(C)cc1C(=O)Oc1ccc([C@@]2(CC)NC(=O)NC2=O)cc1 | 776,092,505 | [C][C][C][Branch1][Ring1][C][C][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][C][=C][Branch1][S][C@@][Branch1][Ring1][C][C][N][C][=Branch1][C][=O][N][C][Ring1][Branch2][=O][C][=C][Ring1][#C] |
CC[C@@H](Cc1ccc(C)cc1)N(CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O | 1,595,205,234 | [C][C][C@@H1][Branch1][=N][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C@@H1][Branch1][C][C][C][=Branch1][C][=O][O] |
O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CC[C@@H](c3cccnc3)C2)C1 | 515,385,982 | [O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][C][C][C@H1][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C@@H1][Branch1][=Branch2][C][=C][C][=C][N][=C][Ring1][=Branch1][C][Ring1][O][C][Ring2][Ring1][Ring1] |
C[C@H](C(=O)Nc1ccc(N[C@H]2CCC[C@H]2Cc2cnn(C)c2)cc1)n1cncn1 | 925,922,424 | [C][C@H1][Branch2][Ring2][Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][N][C@H1][C][C][C][C@H1][Ring1][Branch1][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][=C][Ring2][Ring1][Ring1][N][C][=N][C][=N][Ring1][Branch1] |
COc1ccc(NC(=O)CN(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(OC)c1 | 15,822,224 | [C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O][C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][O][Ring1][#Branch2][C][Branch1][Ring1][O][C][=C][Ring2][Ring1][=N] |
COCCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)ccn1 | 777,179,743 | [C][O][C][C][O][C][=C][C][Branch2][Ring1][=C][C][=Branch1][C][=O][O][C@@H1][Branch1][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=Branch1][N][Branch1][C][C][C][C][=C][Ring1][=Branch2][=C][C][=N][Ring2][Ring1][#Branch1] |
O=[N+]([O-])c1ccccc1/C=C\CN1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 | 512,696,699 | [O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][/C][=C][\C][N][C][C][C][C@H1][Branch2][Ring1][Ring2][C][N][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][Ring2][Ring1][Ring1] |
CCCNC(=O)CCCN1CCC2(CC1)CN(C(=O)OC(C)(C)C)CCO2 | 933,463,096 | [C][C][C][N][C][=Branch1][C][=O][C][C][C][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][O][Ring1][#C] |
C[C@@H]1CC[C@@H](CNc2ccc(C#N)nc2)OC1 | 2,005,797,045 | [C][C@@H1][C][C][C@@H1][Branch1][#C][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][N][=C][Ring1][Branch2][O][C][Ring1][S] |
Cc1ccc(COC(=O)Cc2cccc(NS(C)(=O)=O)c2)cc1C(=O)O | 1,607,784,528 | [C][C][=C][C][=C][Branch2][Ring1][O][C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][#Branch2][N][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring1][O][C][=C][Ring2][Ring1][=Branch1][C][=Branch1][C][=O][O] |
Cc1n[nH]c(C)c1C(=O)N1CCC(N2CCC(NC(=O)Cn3ccnn3)CC2)CC1 | 1,834,896,955 | [C][C][=N][NH1][C][Branch1][C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][Branch2][Ring1][Branch2][N][C][C][C][Branch1][=C][N][C][=Branch1][C][=O][C][N][C][=C][N][=N][Ring1][Branch1][C][C][Ring1][#C][C][C][Ring2][Ring1][Branch1] |
CC[C@@H](CNC(=O)N1CCC[C@@H]1c1nncn1C)Oc1ccccc1Cl | 152,611,167 | [C][C][C@@H1][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][N][C][C][C][C@@H1][Ring1][Branch1][C][=N][N][=C][N][Ring1][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][Cl] |
COc1ccc(Br)c(CNC(=O)N[C@@H]2CCC(=O)NC23CCC3)c1 | 573,627,110 | [C][O][C][=C][C][=C][Branch1][C][Br][C][Branch2][Ring1][Branch2][C][N][C][=Branch1][C][=O][N][C@@H1][C][C][C][=Branch1][C][=O][N][C][Ring1][#Branch1][C][C][C][Ring1][Ring2][=C][Ring2][Ring1][=Branch1] |
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)Cc1csc(-c2ccc(Cl)s2)n1 | 512,957,892 | [C][N][Branch2][Ring1][Ring1][C][C][=Branch1][C][=O][N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][C][C][=C][S][C][Branch1][O][C][=C][C][=C][Branch1][C][Cl][S][Ring1][=Branch1][=N][Ring1][O] |
COc1ccc(Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](C)C2)cn1 | 1,619,288,972 | [C][O][C][=C][C][=C][Branch2][Ring1][#C][C][N][C][Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][N][=C][Ring1][=N][N][C][C][C@@H1][Branch1][C][C][C][Ring1][=Branch1][C][=N][Ring2][Ring1][#Branch2] |
Cn1cc(/C=C/C(=O)N2CCc3cc(C(=O)O)ccc32)cn1 | 314,167,516 | [C][N][C][=C][Branch2][Ring1][O][/C][=C][/C][=Branch1][C][=O][N][C][C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][=C][Ring1][=Branch2][Ring1][N][C][=N][Ring2][Ring1][Branch1] |
C#CC[C@@H](CCOC)NC(=O)[C@H](F)CC | 1,337,324,815 | [C][#C][C][C@@H1][Branch1][Branch1][C][C][O][C][N][C][=Branch1][C][=O][C@H1][Branch1][C][F][C][C] |
COCCN1CC[C@H](NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)C1 | 605,878,693 | [C][O][C][C][N][C][C][C@H1][Branch2][Ring2][C][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][C][=Branch1][C][=O][N][C@H1][C][C][C][C@H1][Branch1][C][C][C][Ring1][#Branch1][C][C][Ring1][P][C][Ring2][Ring1][=Branch2] |
CCC(CC)[C@H]1C[C@H](NS(=O)(=O)c2cccc(F)c2-c2nn[nH]n2)CCO1 | 825,106,598 | [C][C][C][Branch1][Ring1][C][C][C@H1][C][C@H1][Branch2][Ring1][O][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][N][=N][NH1][N][=Ring1][Branch1][C][C][O][Ring2][Ring1][=Branch1] |
C=C[C@H]1CCCCN1C(=O)NCCC#N | 335,321,042 | [C][=C][C@H1][C][C][C][C][N][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][#N] |