MonarchInit/C3PO huggingface dataset:
Compound: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: isoindolin-1-one
SMILES: O=C1NCc2ccccc12
Compound: 1-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol(1-)
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
Compound: 1-octadecanoyl-2-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glycero-3-phospho-D-myo-inositol(1-)
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
Compound: (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: keto-meromycolic acid
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)C(O)=O
Compound: (19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (7Z)-14-hydroxy-10,13-dioxoheptadec-7-enoic acid
SMILES: CCCC(O)C(=O)CCC(=O)C\C=C/CCCCCC(O)=O
Compound: glycerol mono(keto-meromycolate)
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)C(=O)OCC(O)CO
Compound: rhizobactin 1021
SMILES: CCCCCCC\C=C\C(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(C)=O)C(O)=O
Compound: (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: C80 D-glucose mono(keto-meromycolate)
SMILES: CCCCCCCCCCCCCCCCCCCCCCC(C(O)CCCCCCCCCCCCCCC1CC1CCCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 6-deoxy-D-glucos-6-yl corynomycolate
SMILES: CCCCCCCCCCCCCCCC(O)C(CCCCCCCCCCCCCC)C(=O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
Compound: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: NAc-DNP-Cys
SMILES: CC(=O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(O)=O
Compound: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (8Z,11Z,14Z)-icosatrienoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (8Z,11Z,14Z,17Z)-icosatetraenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: N(1)-methylguanosine 5'-monophosphate residue
SMILES: CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)n(C)c2=O
Compound: N(1)-methylguanosine 5'-monophosphate
SMILES: Cn1c(N)nc2n(cnc2c1=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: NAc-FnorLRF-amide
SMILES: CCCCC(NC(=O)C(Cc1ccccc1)NC(C)=O)C(=O)NC(CCCNC(N)=N)C(=O)NC(Cc1ccccc1)C(N)=O
Compound: (R)-3-hydroxydecanoyl-CoA(4-)
SMILES: CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: 4-demethylwyosine 5'-monophosphate
SMILES: Cc1cn2c(nc3n(cnc3c2=O)[C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)[nH]1
Compound: dextromoramide
SMILES: C[C@H](CN1CCOCC1)C(C(=O)N1CCCC1)(c1ccccc1)c1ccccc1
Compound: (R)-3-hydroxylauroyl-CoA(4-)
SMILES: CCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (R)-3-hydroxytetradecanoyl-CoA(4-)
SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (R)-3-hydroxypalmitoyl-CoA(4-)
SMILES: CCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (R)-3-hydroxyoctanoyl-CoA(4-)
SMILES: CCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (R)-3-hydroxyhexanoyl-CoA(4-)
SMILES: CCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: trans-2-hexacosenoyl-CoA(4-)
SMILES: CCCCCCCCCCCCCCCCCCCCCCC\C=C\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: 6-[2-(2,4-dihydroxy-6-methylphenyl)-2-oxoethyl]-4-hydroxy-pyran-2-one
SMILES: Cc1cc(O)cc(O)c1C(=O)Cc1cc(O)cc(=O)o1
Compound: (11E)-octadecenoyl-CoA(4-)
SMILES: CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (9Z,11E)-octadecadienoyl-CoA(4-)
SMILES: CCCCCC\C=C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: geranyllinalool
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\CCC(C)(O)C=C
Compound: pedilstatin
SMILES: [H][C@@]12CC(CO)=C[C@@]3([H])[C@]4([H])C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)\C=C/C=C/CCC)[C@@H](C)[C@]3(O)[C@]1([H])C=C(C)C2=O
Compound: wybutosine 5'-monophosphate
SMILES: COC(=O)N[C@@H](CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(=O)OC
Compound: O-heptanoylcarnitine
SMILES: CCCCCCC(=O)OC(CC([O-])=O)C[N+](C)(C)C
Compound: (6Z,9Z,12Z,15Z,18Z,21Z)-3-oxotetracosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: heptadecanoyl-CoA(4-)
SMILES: CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (9Z)-heptadecenoyl-CoA(4-)
SMILES: CCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: pentadecanoyl-CoA(4-)
SMILES: CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (9Z)-pentadecenoyl-CoA(4-)
SMILES: CCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: 7-(alpha-D-glucosyl)-N(6)-isopentenyladenine
SMILES: CC(C)=CCNc1ncnc2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c12
Compound: 4,8,12-trimethyltrideca 1,3,7,11-tetraene
SMILES: CC(C)=CCC\C(C)=C\CC\C(C)=C\C=C
Compound: Leu-FMDP
SMILES: COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: L-glyceric acid
SMILES: OC[C@H](O)C(O)=O
Compound: 2-[1-(p-chlorophenyl)ethyl]-4,6-dinitrophenol
SMILES: CC(c1ccc(Cl)cc1)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
Compound: Ile-Tyr
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
Compound: Ile-Val
SMILES: CC[C@H](C)[C@H](N)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: (11Z,14Z,17Z)-icosatrienoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: lysophosphatidic acid 0:0/18:2(9Z,12Z)
SMILES: CCCCC\C=C/C\C=C/CCCCCCCC(=O)O[C@H](CO)COP(O)(O)=O
Compound: Leu-Asp
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(O)=O)C(O)=O
Compound: (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: D-asparagine zwitterion
SMILES: NC(=O)C[C@@H]([NH3+])C([O-])=O
Compound: D-valine zwitterion
SMILES: CC(C)[C@@H]([NH3+])C([O-])=O
Compound: (6Z)-hexadecenoyl-CoA(4-)
SMILES: CCCCCCCCC\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: 1-heptadecanoyl-sn-glycero-3-phosphocholine
SMILES: C(C[N+](C)(C)C)OP(=O)([O-])OC[C@H](O)COC(CCCCCCCCCCCCCCCC)=O
Compound: 1-meadoyl-sn-glycero-3-phosphocholine
SMILES: [H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
Compound: 1-arachidonoyl-sn-glycero-3-phosphocholine
SMILES: [H][C@@](O)(COC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C
Compound: 1-(5-hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea
SMILES: NC(=O)Nc1[nH]c(=O)[nH]c1O
Compound: FMN-L-threonine
SMILES: C[C@@H](OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)Cn1c2cc(C)c(C)cc2nc2c1nc(=O)[nH]c2=O)[C@H](N)C(O)=O
Compound: 1-[(4Z,7Z,10Z,13Z,16Z)-docosapentaenoyl]-sn-glycero-3-phosphocholine
SMILES: O(C(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCC)C[C@H](COP(OCC[N+](C)(C)C)(=O)[O-])O
Compound: N-diazoacetylnorleucine methyl ester
SMILES: CCCC[C@H](N\C([O-])=C\[N+]#N)C(=O)OC
Compound: aclacinomycin T
SMILES: C1=CC=C(C2=C1C(C=3C=C4[C@H]([C@](C[C@@H](C4=C(C3C2=O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N(C)C)(CC)O)C(=O)OC)=O)O
Compound: aclacinomycin A(1+)
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Compound: 15-demethylaclacinomycin T zwitterion
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)[NH+](C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C([O-])=O
Compound: 3-oxotriacontanoyl-CoA
SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Met-FMDP
SMILES: COC(=O)\C=C\C(=O)NCC(NC(=O)[C@@H](N)CCSC)C(O)=O
Compound: S-methyl methanethiosulfonate
SMILES: CSS(C)(=O)=O
Compound: (11Z,14Z,17Z,20Z,23Z)-hexacosapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: L-alpha-aminobutyrate zwitterion
SMILES: CC[C@H]([NH3+])C([O-])=O
Compound: (13Z,16Z,19Z,22Z,25Z)-3-oxooctacosapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 5-oxo-delta-bilirubin(2-)
SMILES: CC1=C(CCC([O-])=O)\C(NC1=O)=C\c1[nH]c(C(=O)c2[nH]c(\C=C3NC(=O)C(C)=C/3C=C)c(C)c2C=C)c(C)c1CCC([O-])=O
Compound: 15-oxo-beta-bilirubin(2-)
SMILES: CC1=C(CCC([O-])=O)\C(NC1=O)=C\c1[nH]c(C(=O)c2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C=C)c2C)c(C)c1CCC([O-])=O
Compound: Ala-Asp(1-)
SMILES: C[C@H]([NH3+])C(=O)N[C@@H](CC([O-])=O)C([O-])=O
Compound: NIK250
SMILES: CC1=C(C(C2=C(C)SCCS2)C(C(=O)OCc2ccncc2)=C(C)N1)C(=O)OCc1ccncc1
Compound: N-methylformamide
SMILES: [H]C(=O)NC
Compound: Ala-Gln zwitterion
SMILES: C[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C([O-])=O
Compound: Ala-His zwitterion
SMILES: C[C@H]([NH3+])C(=O)N[C@@H](Cc1cnc[nH]1)C([O-])=O
Compound: Ala-Leu zwitterion
SMILES: CC(C)C[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O
Compound: Ala-Thr zwitterion
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](C)[NH3+])C([O-])=O
Compound: Gly-Asn zwitterion
SMILES: NC(=O)C[C@H](NC(=O)C[NH3+])C([O-])=O
Compound: Gly-Gln zwitterion
SMILES: NC(=O)CC[C@H](NC(=O)C[NH3+])C([O-])=O
Compound: Gly-Met zwitterion
SMILES: CSCC[C@H](NC(=O)C[NH3+])C([O-])=O
Compound: Met-Ala zwitterion
SMILES: CSCC[C@H]([NH3+])C(=O)N[C@@H](C)C([O-])=O
Compound: (11E)-octadecenoyl-CoA
SMILES: CCCCCC\C=C\CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (9Z,11E)-octadecadienoyl-CoA
SMILES: CCCCCC\C=C\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: heptadecanoyl-CoA
SMILES: CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (9Z)-heptadecenoyl-CoA
SMILES: CCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (15Z,18Z,21Z,24Z,27Z)-3-oxotriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 16-hydroxyphorbol 13-decanoate 12-palmitate
SMILES: [H][C@@]12C=C(CO)C[C@]3(O)C(=O)C(C)=C[C@@]3([H])[C@@]1(O)[C@H](C)[C@@H](OC(=O)CCCCCCCCCCCCCCC)[C@]1(OC(C)=O)[C@@]2([H])[C@@]1(C)CO
Compound: NOP
SMILES: CC(Oc1ccc2ccccc2c1)C(O)=O
Compound: (15Z,18Z,21Z,24Z,27Z)-triacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (S)-2-hydroxy-3-methylbutyrate
SMILES: CC(C)[C@H](O)C([O-])=O
Compound: (17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: N-(3-aminopropyl)-N-hydroxyacetamide
SMILES: CC(=O)N(O)CCCN
Compound: N-(octanoyl)-L-homoserine
SMILES: CCCCCCCC(=O)N[C@@H](CCO)C(O)=O
Compound: (R)-3-hydroxydecanoyl-CoA
SMILES: CCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 3-vinylbacteriochlorophyllide a(1-)
SMILES: CC[C@@H]1[C@@H](C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC([O-])=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31
Compound: N(3)-(4-methoxyfumaroyl)-2,3-diaminopropionic acid
SMILES: COC(=O)\C=C\C(=O)NC[C@H](N)C(O)=O
Compound: 3-dimethylallyl-4-hydroxyphenylpyruvate(1-)
SMILES: CC(C)=CCc1cc(CC(=O)C([O-])=O)ccc1O
Compound: (17Z,20Z,23Z,26Z,29Z)-dotriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: NOPM
SMILES: COC(=O)C(C)Oc1ccc2ccccc2c1
Compound: N-acetylcysteamine
SMILES: CC(=O)NCCS
Compound: (13Z,16Z,19Z,22Z,25Z)-octacosapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 3-ureidoisobutyrate(1-)
SMILES: CC(CNC(N)=O)C([O-])=O
Compound: 4'-demethylepipodophyllotoxin
SMILES: [H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(O)c(OC)c1)c1cc3OCOc3cc1[C@H]2O
Compound: (10Z,13Z,16Z)-docosatrienoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA(4-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (19Z,22Z,25Z,28Z,31Z)-tetratriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: nabumetone
SMILES: COc1ccc2cc(CCC(C)=O)ccc2c1
Compound: N-decanoylglycine
SMILES: CCCCCCCCCC(=O)NCC(O)=O
Compound: (21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: N-heptanoylglycine
SMILES: CCCCCCC(=O)NCC(O)=O
Compound: N(2),N(2),N(7)-trimethylguanosine 5'-phosphate(1-)
SMILES: CN(C)c1nc2n(c[n+](C)c2c(=O)[nH]1)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O
Compound: N-vinylacetylglycine
SMILES: OC(=O)CNC(=O)CC=C
Compound: (21Z,24Z,27Z,30Z,33Z)-hexatriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: N-tridecanoylglycine
SMILES: CCCCCCCCCCCCC(=O)NCC(O)=O
Compound: N-undecanoylglycine
SMILES: CCCCCCCCCCC(=O)NCC(O)=O
Compound: N-nonanoylglycine
SMILES: CCCCCCCCC(=O)NCC(O)=O
Compound: N-dodecanoylglycine
SMILES: CCCCCCCCCCCC(=O)NCC(O)=O
Compound: (23Z,26Z,29Z,32Z,35Z)-3-oxooctatriacontapentaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 7-[(3S)-(3-amino-3-methoxycarbonyl)propyl]wyosine 5'-phosphate
SMILES: COC(=O)[C@@H](N)CCc1c(C)nc2n(C)c3n(cnc3c(=O)n12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: senegasaponin b
SMILES: [H]C(=CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O[C@]3([H])OC[C@@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H]1O)c1ccc(OC)cc1
Compound: nafarelin
SMILES: CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Compound: N-(15Z)-tetracosenoylsphingosine
SMILES: CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
Compound: (R)-3-hydroxylauroyl-CoA
SMILES: CCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: NMNH
SMILES: NC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: senegasaponin a
SMILES: [H]C(=CC(=O)O[C@H]1[C@@H](C)O[C@@H](OC(=O)[C@]23CCC(C)(C)C[C@@]2([H])C2=CC[C@]4([H])[C@@]5(C)C[C@H](O)[C@H](O[C@]6([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@](C)(C(O)=O)[C@]5([H])CC[C@@]4(C)[C@]2(CO)CC3)[C@H](O[C@]2([H])O[C@@H](C)[C@H](O[C@]3([H])OC[C@@H](O[C@]4([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O[C@]3([H])OC[C@](O)(CO)[C@H]3O)[C@H]2O)[C@H]1O)c1ccc(OC)cc1
Compound: 4-hydroxy-5-methyl-3-furanone
SMILES: CC1=C(O)C(=O)CO1
Compound: (R)-3-hydroxytetradecanoyl-CoA
SMILES: CCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (R)-3-hydroxypalmitoyl-CoA
SMILES: CCCCCCCCCCCCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: nafarelin acetate hydrate
SMILES: O.CC(O)=O.CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CNC=N1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
Compound: 5-chloro-7-iodoquinolin-8-ol
SMILES: Oc1c(I)cc(Cl)c2cccnc12
Compound: nafcillin
SMILES: [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C(O)=O
Compound: (R)-3-hydroxyhexanoyl-CoA
SMILES: CCC[C@@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: hexadecanamide
SMILES: NC(CCCCCCCCCCCCCCC)=O
Compound: (11Z,14Z,17Z,20Z)-hexacosatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-(9Z)-hexadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphocholine
SMILES: [H][C@@](COC(=O)CCCCCCC\C=C/CCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC
Compound: nafcillin sodium
SMILES: [Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)c1c(OCC)ccc2ccccc12)C([O-])=O
Compound: 1-octadecyl-2-icosanoyl-sn-glycero-3-phosphocholine
SMILES: [H][C@@](COCCCCCCCCCCCCCCCCCC)(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCC
Compound: 1-octadecanoyl-2-(7Z,10Z,13Z,16Z)-docosatetraenoyl-sn-glycero-3-phosphoethanolamine
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(O)(=O)OCCN)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Compound: (13Z,16Z,19Z,22Z)-3-oxooctacosatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-(11Z)-octadecenoyl-2-(13Z,16Z)-docosadienoyl-sn-glycero-3-phosphoethanolamine
SMILES: [H][C@@](COC(=O)CCCCCCCCC\C=C/CCCCCC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCC\C=C/C\C=C/CCCCC
Compound: (13Z,16Z,19Z,22Z)-octacosatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-(6Z,9Z,12Z,15Z)-octadecatetraenoyl-2(15Z)-tetracosenoyl-sn-glycero-3-phosphoethanolamine
SMILES: [H][C@@](COC(=O)CCCC\C=C/C\C=C/C\C=C/C\C=C/CC)(COP(O)(=O)OCCN)OC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
Compound: Phe-FMDP
SMILES: COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Compound: (15Z,18Z,21Z,24Z)-3-oxotriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (15Z,18Z,21Z,24Z)-triacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Nafenopin glucuronide
SMILES: CC(C)(Oc1ccc(cc1)C1CCCc2ccccc12)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
Compound: chlorquinaldol
SMILES: Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
Compound: Tyr-FMDP
SMILES: COC(=O)\C=C\C(=O)NCC(NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(O)=O
Compound: (17Z,20Z,23Z,26Z)-3-oxodotriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Val-FMDP
SMILES: COC(=O)\C=C\C(=O)NCC(N)C(=O)N[C@@H](C(C)C)C(O)=O
Compound: naftifine
SMILES: CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Compound: (17Z,20Z,23Z,26Z)-dotriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 6-aminonicotinamide
SMILES: NC(=O)c1ccc(N)nc1
Compound: (19Z,22Z,25Z,28Z)-3-oxotetratriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: propionyl adenylate
SMILES: CCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12
Compound: (19Z,22Z,25Z,28Z)-tetratriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Naftifine hydrochloride
SMILES: Cl.CN(C\C=C\c1ccccc1)Cc1cccc2ccccc12
Compound: AcNADH
SMILES: CC(=O)C1=CN(C=CC1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCC2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O
Compound: (21Z,24Z,27Z,30Z)-3-oxohexatriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 5-oxotetrahydrofuran-2-carboxylic acid
SMILES: OC(=O)C1CCC(=O)O1
Compound: (21Z,24Z,27Z,30Z)-hexatriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: Leu-beta-Ala
SMILES: CC(C)C[C@H](N)C(=O)NCCC(O)=O
Compound: Leu-D-Leu
SMILES: CC(C)C[C@H](N)C(=O)N[C@H](CC(C)C)C(O)=O
Compound: Nagilactone C
SMILES: CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@]3(C)[C@H]1[C@]2(C)[C@H]1O[C@H]1[C@@H]3O
Compound: Leu-Glu
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: N-docosanoylsphingosine-1-phosphocholine
SMILES: C(CCCCCCCCCC)CC\C=C\[C@@H](O)[C@@H](NC(=O)CCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
Compound: N-[(13Z)-docosenoyl]sphing-4-enine-1-phosphocholine
SMILES: [H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCC\C=C/CCCCCCCC
Compound: Leu-Gly
SMILES: CC(C)C[C@H](N)C(=O)NCC(O)=O
Compound: N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine
SMILES: [H][C@@](O)(\C=C\CCCCCCCCCCCCC)[C@]([H])(COP([O-])(=O)OCC[N+](C)(C)C)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC
Compound: monothioglycerol
SMILES: OCC(O)CS
Compound: Leu-Gly-Gly
SMILES: CC(C)C[C@H](N)C(=O)NCC(=O)NCC(O)=O
Compound: Leu-His
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(O)=O
Compound: nalbuphine
SMILES: O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
Compound: Leu-Ile
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(O)=O
Compound: Leu-Leu-Leu
SMILES: CC(C)C[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(O)=O
Compound: trichloroethyl beta-D-glucoside
SMILES: OC[C@H]1O[C@@H](OCC(Cl)(Cl)Cl)[C@H](O)[C@@H](O)[C@@H]1O
Compound: 1-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: acivicin
SMILES: [H][C@]1(CC(Cl)=NO1)[C@H](N)C(O)=O
Compound: 1,2-dioleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: 1-linoleoyl-sn-glycero-3-phosphate(2-)
SMILES: O(C[C@H](COP(=O)([O-])[O-])O)C(=O)CCCCCCC/C=C\C/C=C\CCCCC
Compound: 1-linoleoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])([O-])=O
Compound: 1-linolenoyl-sn-glycero-3-phosphate(2-)
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: nalbuphine hydrochloride
SMILES: [H+].[Cl-].O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
Compound: 1-linolenoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC)COP([O-])([O-])=O
Compound: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O
Compound: 1-oleoyl-2-stearoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O
Compound: Lys-Arg
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Compound: 1-heptadecanoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: TuMP
SMILES: Nc1ncnc2n(ccc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: 1-heptadecanoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: Lys-Glu
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
Compound: 1-oleoyl-2-heptadecanoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O
Compound: Lys-Ile
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Compound: 1-stearoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: Lys-Leu
SMILES: CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Compound: valpromide
SMILES: CCCC(CCC)C(N)=O
Compound: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
Compound: Lys-Lys
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CCCCN)C(O)=O
Compound: 1-stearoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: Lys-Met
SMILES: CSCC[C@H](NC(=O)[C@@H](N)CCCCN)C(O)=O
Compound: Lys-Pro
SMILES: NCCCC[C@H](N)C(=O)N1CCC[C@H]1C(O)=O
Compound: Lys-Ser
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](CO)C(O)=O
Compound: Lys-Trp
SMILES: NCCCC[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Compound: Nalmefene
SMILES: Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=C)CC[C@@]35O
Compound: (23Z,26Z,29Z,32Z)-3-oxooctatriacontatetraenoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: pentadecanoyl-CoA
SMILES: CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (9Z)-pentadecenoyl-CoA
SMILES: CCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-oleoyl-2-pentadecanoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O
Compound: 1-oleoyl-2-myristoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])([O-])=O
Compound: Nalorphine
SMILES: O[C@H]1C=C[C@H]2[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC=C)c45
Compound: gamma-linolenoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: 1-(gamma-linolenoyl)-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCC\C=C/C\C=C/C\C=C/CCCCC)COP([O-])([O-])=O
Compound: 1-icosanoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
Compound: 1-icosanoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: (8Z,11Z,14Z,17Z,20Z,23Z)-3-oxohexacosahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-myristoyl-2-oleoyl-sn-glycero-3-phosphate(2-)
SMILES: CCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: (8Z,11Z,14Z,17Z,20Z,23Z)-hexacosahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z,19Z,22Z,25Z)-3-oxooctacosahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: naloxone
SMILES: Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC=C
Compound: (10Z,13Z,16Z,19Z,22Z,25Z)-octacosahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: dithiophosphate(2-)
SMILES: OP([O-])([S-])=S
Compound: (12Z,15Z,18Z,21Z,24Z,27Z)-3-oxotriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z,24Z,27Z)-triacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (14Z,17Z,20Z,23Z,26Z,29Z)-3-oxodotriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (14Z,17Z,20Z,23Z,26Z,29Z)-dotriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (16Z,19Z,22Z,25Z,28Z,31Z)-3-oxotetratriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (16Z,19Z,22Z,25Z,28Z,31Z)-tetratriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (18Z,21Z,24Z,27Z,30Z,33Z)-3-oxohexatriacontahexaenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: guanosine 2'-monophosphate(2-)
SMILES: Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP([O-])([O-])=O
Compound: (11Z,14Z,17Z)-icosatrienoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (13Z,16Z,19Z)-3-oxodocosatrienoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/CCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z,19Z)-3-oxodocosatetraenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (6Z)-hexadecenoyl-CoA
SMILES: CCCCCCCCC\C=C/CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: methyl (R)-lactate
SMILES: COC(=O)[C@@H](C)O
Compound: 1-oleoyl-sn-glycero-3-phosphoserine(1-)
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OC[C@H]([NH3+])C([O-])=O
Compound: aclacinomycin A
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Compound: 15-demethylaclacinomycin T
SMILES: CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O)[C@H](C)O2)N(C)C)c2c(O)c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(O)=O
Compound: 5-oxo-delta-bilirubin
SMILES: CC1=C(CCC(O)=O)\C(NC1=O)=C\c1[nH]c(C(=O)c2[nH]c(\C=C3NC(=O)C(C)=C/3C=C)c(C)c2C=C)c(C)c1CCC(O)=O
Compound: 15-oxo-beta-bilirubin
SMILES: CC1=C(CCC(O)=O)\C(NC1=O)=C\c1[nH]c(C(=O)c2[nH]c(\C=C3NC(=O)C(C=C)=C/3C)c(C=C)c2C)c(C)c1CCC(O)=O
Compound: 3-vinylbacteriochlorophyllide a
SMILES: CC[C@@H]1[C@@H](C)C2=Cc3c(C=C)c(C)c4C=C5[C@@H](C)[C@H](CCC(O)=O)C6=[N+]5[Mg--]5(n34)n3c(=CC1=[N+]25)c(C)c1C(=O)[C@H](C(=O)OC)C6=c31
Compound: cysteamine S-phosphate(2-)
SMILES: [NH3+]CCSP([O-])([O-])=O
Compound: tanghinigenin
SMILES: C1[C@H](O)C[C@@]2([C@@](C1)(C)[C@]3(CC[C@@]4(C)[C@@]([C@]35[C@H](C2)O5)(CC[C@@H]4C6=CC(=O)OC6)O)[H])[H]
Compound: N(4)-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-beta-D-GlcNAc}-L-Asn residue
SMILES: [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)O[C@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2OC[C@H]2O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@@H](O[C@@H]3CO)O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@H](NC(=O)C[C@H](NC)C(=O)OC)O[C@@H]3CO)[C@@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO[C@@]5(C[C@H](O)[C@@H](NC(C)=O)[C@@]([H])(O5)[C@H](O)[C@H](O)CO)C(O)=O)[C@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)C(O)=O)[C@H](O)[C@H](O)CO
Compound: N(6)-L-threonylcarbamoyladenine 5'-monophosphate
SMILES: C[C@@H](O)[C@H](NC(=O)Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Compound: N(6)-dimethylallyladenine 5'-monophosphate residue
SMILES: CO[C@@H]1[C@@H](COP(C)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCC=C(C)C)ncnc12
Compound: N-acetyl-L-tryptophan
SMILES: CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
Compound: 2-thio-N(6)-dimethylallyladenine 5'-monophosphate
SMILES: CC(C)=CCNc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: 2-methylthio-N(6)-dimethylallyladenine 5'-monophosphate
SMILES: N(C1=NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)SC)CC=C(C)C
Compound: 2-thio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate
SMILES: C[C@@H](O)[C@H](NC(=O)Nc1nc(S)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O)C(O)=O
Compound: naltrexone
SMILES: Oc1ccc2C[C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O)CC1CC1
Compound: 2-methylthio-N(6)-L-threonylcarbamoyladenine 5'-monophosphate
SMILES: N(C1=NC(=NC2=C1N=CN2[C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)SC)C(N[C@H](C(O)=O)[C@H](O)C)=O
Compound: 3-thio-L-aspartic acid
SMILES: N[C@@H](C(S)C(O)=O)C(O)=O
Compound: JP-8g
SMILES: CC(=O)n1c(C)nc2Oc3c(c(=O)oc4ccc(F)cc34)[C@]3(C(=O)N(CC=C)c4c(F)cccc34)c2c1=O
Compound: O(4)-phosphonato-D-tyrosine(2-)
SMILES: [NH3+][C@H](Cc1ccc(OP([O-])([O-])=O)cc1)C([O-])=O
Compound: N(2),N(2),N(7)-trimethylguanosine 5'-triphosphate(1+)
SMILES: CN(C)c1nc2n(c[n+](C)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O
Compound: nandrolone
SMILES: [H][C@]12CCC(=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@@H](O)CC[C@@]12[H]
Compound: (10Z,13Z,16Z)-docosatrienoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: parabanic acid
SMILES: O=C1NC(=O)C(=O)N1
Compound: (10Z,13Z,16Z,19Z)-docosatetraenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (11Z,14Z,17Z,20Z,23Z)-3-oxohexacosapentaenoyl-CoA(4-)
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z)-tetracosatetraenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (10Z,13Z,16Z)-3-oxodocosatrienoyl-CoA
SMILES: CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: (12Z,15Z,18Z,21Z)-3-oxotetracosatetraenoyl-CoA
SMILES: CC\C=C/C\C=C/C\C=C/C\C=C/CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12
Compound: 1-oleoyl-2-palmitoyl-sn-glycero-3-phosphocholine
SMILES: CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)OCC[N+](C)(C)C
Compound: N(2),N(2),N(7)-trimethylguanosine 5'-phosphate
SMILES: CN(C)c1nc2n(c[n+](C)c2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)([O-])=O)[C@@H](O)[C@H]1O
Compound: 1,2-dioleoyl-sn-glycero-3-phosphocholine
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCCCCCCC
Compound: Nandrolone decanoate
SMILES: CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
Compound: 1-oleoyl-2-linoleoyl-sn-glycero-3-phosphocholine
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
Compound: 1-oleoyl-2-arachidonoyl-sn-glycero-3-phosphocholine
SMILES: CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Compound: 5,6-dihydrouridine 5'-monophosphate
SMILES: O[C@H]1[C@@H](O)[C@@H](O[C@@H]1COP(O)(O)=O)N1CCC(=O)NC1=O
Compound: N(6)-methyladenosine 5'-monophosphate residue
SMILES: CNc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(C)(O)=O)[C@@H](OC)[C@H]1O
Compound: 5-aminomethyl-2-thiouridine 5'-monophosphate
SMILES: NCc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O
Compound: nandrolone phenpropionate
SMILES: [H][C@]12CCC(=O)C=C1CC[C@]1([H])[C@]2([H])CC[C@]2(C)[C@H](CC[C@@]12[H])OC(=O)CCc1ccccc1
Compound: 5-methylaminomethyl-2-thiouridine 5'-monophosphate
SMILES: CNCc1cn([C@@H]2O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O
Compound: 2-ethylisonicotinic acid
SMILES: CCc1cc(ccn1)C(O)=O
Compound: leukoaminochrome
SMILES: Oc1cc2CCNc2cc1O
Compound: dopaminoquinone
SMILES: NCCC1=CC(=O)C(=O)C=C1