1-AMINO-PROPAN-2-OL	C[C@@H](O)C[N+]
1-CARBOXYVINYL-CARBOXYPHOSPHONATE	C=C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]
1-CHLORO-24-DINITROBENZENE	C1(\C=C(Cl)C(\[N+]([O-])=O)=C/C(\[N+]([O-])=O)=1)
1-KESTOTRIOSE	C(O)[C@]3(OC[C@]2(O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))([C@@H](O)[C@H](O)[C@@H](CO)O2))([C@@H](O)[C@H](O)[C@@H](CO)O3)
1-KETO-2-METHYLVALERATE	CC[C@](O)(C)[C@H](C([O-])=O)O
1-L-MYO-INOSITOL-1-P	[C@H]1(O)([C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)1)
1-PALMITOYLGLYCEROL-3-PHOSPHATE	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])[O-]
11-DEOXYCORTICOSTERONE	C[C@]34([C@@H]2(CC[C@@]1(C)([C@@H](CC[C@H](C(=O)CO)1)[C@@H]2CCC/3=C/C(=O)CC4)))
12-DEHYDROTETRACYCLINE	C[C@@]1(C4(\C=CC=C(O)C(/C(=O)C2(C([C@]3(C(=O)C(/C(=O)N)=C([C@H]([C@H](CC1=2)3)[N+](C)C)/[O-])O)=O))=4))O
12-DICHLOROETHANE	C(CCl)Cl
13-HYDROXY-MAGNESIUM-PROTOPORP	C=CC4(/C(\C)=C3(C=C8(C(\C)=C(CCC(=O)[O-])/C7(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C(C(/N56)=C/7)/C(O)CC(=O)OC))))8))))
131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M	C=CC4(/C(\C)=C3(C=C8(C(\C)=C(CCC(=O)[O-])/C7(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C(C(/N56)=C/7)/C(=O)CC(=O)OC))))8))))
15-ANHYDRO-D-FRUCTOSE	C([C@H]1([C@H]([C@@H](C(CO1)=O)O)O))O
15-ANHYDRO-D-GLUCITOL	C(O)[C@@H]1(OC[C@H](O)[C@@H](O)[C@H](O)1)
1516-DIHYDROBILIVERDIN	C=CC1(/C(/NC(C(\C)=1)=O)=C/C4(/NC(\C=C2(C(\CCC(=O)[O-])=C(C)/C(=N2)C[C@H]3(C(\C)=C(C=C)/C(=O)N3)))=C(CCC(=O)[O-])/C(\C)=4))
17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O	C[C@]34([C@@H]2([C@H]([C@@H]1([C@@](C)([C@@H](O)CC1)CC2))CC[C@H]3CC(=O)CC4))
2-2-METHYLTHIOETHYLMALIC-ACID	CSCCC(CC([O-])=O)(O)C(=O)[O-]
2-3-DIHYDROXYBENZOATE	C(C1(/C(/O)=C(C=CC=1)/O))([O-])=O
2-3-DIHYDROXYPHENYL-PROPIONATE	C(CCC1(/C(/O)=C(C=CC=1)/O))([O-])=O
2-5-DIHYDROXYPYRIDINE	C1(C(\O)=C/C=C(O)N=1)
2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-	CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]2([C@@H](O)[C@@H](O[C@H]1([C@H](O)[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O)O1))[C@@H](O2)N3(C=NC4(C(N)=NC=NC3=4))))[C@@H](O)C(=O)NCCC(=O)NCCS
2-ACETO-2-HYDROXY-BUTYRATE	CC[C@@](O)(C(=O)[O-])C(C)=O
2-ACETO-LACTATE	CC(=O)[C@](C)(O)C(=O)[O-]
2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI	C(=O)([O-])C(/C=C[CH]=O)=C(C([O-])=O)/N
2-AMINO-MUCONATE	C([O-])(=O)C=CC=C([N+])C(=O)[O-]
2-AMINOACRYLATE	C=C([N+])C(=O)[O-]
2-AMINOBENZOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C1(/C(\N)=C/C=CC=1))=O)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
2-AMINOMUCONATE_SEMIALDEHYDE	C(\C=C(C([O-])=O)N)=C/[CH]=O
2-AMINOPHENOL	C1(/C=C(N)C(\O)=C/C=1)
2-BROMOPORPHOBILINOGEN	C(C1(/NC(\Br)=C(CCC(=O)[O-])/C(\CC(=O)[O-])=1))[N+]
2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE	C[C@](O)(CO)[C@H](O)COP([O-])([O-])=O
2-CARBOXYMUCONATE	C(\C=C(C(=O)[O-])C(=O)[O-])=C/C(=O)[O-]
2-CHLOROETHANOL	C(Cl)CO
2-CHLOROMALEYLACETATE	C([O-])(=O)C(\Cl)=C/C(=O)CC(=O)[O-]
2-CL-5-OXO-2-5-DIH-FURAN-2-ACETATE	C([O-])(=O)C[C@]1(Cl)(OC(=O)C=C1)
2-CL-MUCONATE	C([O-])(=O)C=CC=C(C([O-])=O)Cl
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE	CC(C)[C@H](C([O-])=O)[C@H](C([O-])=O)O
2-DEHYDRO-3-DEOXY-D-GALACTONATE	C(O)[C@@H](O)[C@H](O)CC(C(=O)[O-])=O
2-DEHYDRO-3-DEOXY-D-GLUCONATE	C(=O)([O-])C(=O)C[C@H](O)[C@H](O)CO
2-DEHYDROPANTOATE	CC(C(=O)C([O-])=O)(CO)C
2-DEOXY-D-GLUCOSE-6-PHOSPHATE	C(OP([O-])(=O)[O-])[C@@H]1(OC(O)C[C@@H](O)[C@H](O)1)
2-DH-3-DO-D-ARABINONATE	C(O)[C@@H](O)CC(=O)C(=O)[O-]
2-FUROATE	C(C1(/OC=CC=1))([O-])=O
2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP	CSCCC(C(/[O-])=C/OP([O-])(=O)[O-])=O
2-KETO-3-DEOXY-6-P-GLUCONATE	C(=O)([O-])C(=O)C[C@H](O)[C@H](O)COP([O-])(=O)[O-]
2-KETO-3-METHYL-VALERATE	CC[C@H](C)C(=O)C([O-])=O
2-KETO-6-AMINO-CAPROATE	C(CC(=O)C(=O)[O-])CC[N+]
2-KETO-GLUTARAMATE	C(CC(N)=O)C(=O)C(=O)[O-]
2-KETO-ISOVALERATE	CC(C(C([O-])=O)=O)C
2-KETOGLUTARATE	C(CC([O-])=O)C(=O)C([O-])=O
2-MERCAPTOETHANOL	C(O)CS
2-METHYL-6-SOLANYL-14-BENZOQUINONE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C=C(O)C=C(C)C(\O)=1)
2-METHYL-BUTYRYL-COA	CCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
2-O-ALPHA-MANNOSYL-D-GLYCERATE	C(O)[C@@H]1(O[C@H](O[C@H](CO)C(=O)[O-])[C@@H](O)[C@@H](O)[C@H](O)1)
2-OCTAPRENYL-6-HYDROXYPHENOL	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(/C(/O)=C(C=CC=1)/O)
2-OCTAPRENYL-6-METHOXYPHENOL	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(/C(/O)=C(C=CC=1)/OC)
2-OCTAPRENYLPHENOL	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(/C(\O)=C/C=CC=1)
2-OXO-5-METHYLTHIOPENTANOIC-ACID	CSCCCC(=O)C(=O)[O-]
2-OXOBUTANOATE	CCC(=O)C(=O)[O-]
2-PG	C(=O)([O-])[C@H](OP(=O)([O-])[O-])CO
2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET	C[C@](OP([O-])([O-])=O)(CO)[C@H](O)COP(OP([O-])(=O)OC[C@H]2([C@H]([C@@H](O)[C@H](N1(C(N=C(C=C1)N)=O))O2)O))([O-])=O
2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA	C(C2(\C(\OC(C1(/C=CC(/O)=C(C=1)/O))=O)=C/C(\O)=C/C(/O)=2))([O-])=O
2-TRANS6-TRANS-FARNESAL	CC(C)=CCCC(/C)=C/CCC(/C)=C/[CH]=O
2-TRANS6-TRANS-FARNESOL	CC(C)=CCCC(/C)=C/CCC(/C)=C/CO
24-DICHLOROPHENOL	C1(\C=C(O)C(\Cl)=C/C(\Cl)=1)
245-DNOL	C1(\[C@@H](Cl)C(\Cl)=C/[C@@H](C(\Cl)=1)O)
25-DDOL	C1(\[C@@H](C(\Cl)=C/[C@H](O)C(\Cl)=1)O)
25-DICHLORO-CISCIS-MUCONATE	C([O-])(=O)C(\Cl)=C/C=C(C(=O)[O-])Cl
25-DICHLOROHYDROQUINONE	C1(\C(/O)=C(C=C(C(\Cl)=1)O)/Cl)
25-DICHLOROPHENOL	C1(/C(\Cl)=C/C(/[O-])=C(C=1)/Cl)
25-DIDEHYDRO-D-GLUCONATE	C(C([C@H]([C@@H](C(C([O-])=O)=O)O)O)=O)O
26-DICHLORO-P-HYDROQUINONE	C1(\C(\O)=C/C(/Cl)=C(C(\Cl)=1)/[O-])
2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE	C[C@@]1(CO)(OP(=O)([O-])OP(=O)([O-])OC[C@@H](O)1)
2K-4CH3-PENTANOATE	CC(C)CC(C([O-])=O)=O
2K-ADIPATE	C(CC(=O)C(=O)[O-])CC(=O)[O-]
3-4-DIHYDROXYBENZOATE	C(C1(/C=C(C(\O)=C/C=1)O))(=O)[O-]
3-5-ADP	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)OP(=O)([O-])[O-]))OP([O-])([O-])=O
3-BETA-D-GLUCOSYLGLUCOSE	C(O)[C@H]2([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@H]1([C@@H](O)C(O)O[C@H](CO)[C@@H](O)1))O2)
3-BETA-HYDROXYANDROST-5-EN-17-ONE	C[C@]13(CC[C@H](O)CC/1=C/C[C@@H]2([C@H]4(CCC(=O)[C@](CC[C@@H]23)(C)4)))
3-BROMOPYRUVATE	C(Br)C(=O)C(=O)[O-]
3-CARBOXY-3-HYDROXY-ISOCAPROATE	CC(C)[C@@](O)(CC(=O)[O-])C([O-])=O
3-DEHYDRO-SHIKIMATE	C([O-])(=O)C1(/C[C@@H](O)[C@H](O)C(=O)C=1)
3-DEMETHYLSTAUROSPORINE	C[C@]15(O[C@H](C[C@@H]([N+]C)[C@@H](O)1)N2(C8(\C=CC=CC(/C3(C7(/C(=O)NCC(\C4(C6(\C=CC=CC(/N(C(C2=3)=4)5)=6)))=7)))=8)))
3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P	C(=O)([O-])C(=O)C[C@@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
3-ENOLPYRUVYL-SHIKIMATE-5P	C=C(C(=O)[O-])O[C@H]1(CC(\C(=O)[O-])=C/[C@@H](OP(=O)([O-])[O-])[C@@H](O)1)
3-HYDROHYDROXYPHOSPHORYLPYRUVATE	C([O-])(=O)C(=O)C[PH]([O-])=O
3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA	CC(C)=CCCC(O)(CC([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-HYDROXY-3-METHYL-GLUTARYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@](C)(O)CC(=O)[O-])COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-HYDROXY-5917-TRIOXO-45910-DISECOA	CC(\C(=O)CCC1(C(=O)CC[C@]2(C)(C(=O)CC[C@@H]12)))=C/C=C(O)C(=O)[O-]
3-HYDROXY-ANTHRANILATE	C1(/C=C(C(/N)=C(C=1)/O)C([O-])=O)
3-HYDROXY-L-KYNURENINE	C([O-])(=O)[C@@H]([N+])CC(=O)C1(\C=CC=C(O)C(/N)=1)
3-HYDROXY-PROPIONATE	C(CO)C([O-])=O
3-HYDROXY-PROPIONYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCO)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-HYDROXYADIPYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C[C@H](CCC(=O)[O-])O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-HYDROXYAMINOPHENOL	C1(/C=C(O)C=C(C=1)NO)
3-HYDROXYBENZOATE	C([O-])(=O)C1(/C=CC=C(O)C=1)
3-HYDROXYPHENYL-PROPIONATE	C(CCC1(/C=C(O)C=CC=1))(=O)[O-]
3-HYDROXYPIMELYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-KETO-ADIPATE	C(=O)([O-])CC(=O)CCC(=O)[O-]
3-KETO-ADIPYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CC(CCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-KETOBUTYRATE	CC(=O)CC([O-])=O
3-MERCAPTO-PYRUVATE	C(C(C(=O)[O-])=O)S
3-METHYLBENZYL-ALCOHOL	CC1(/C=C(C=CC=1)CO)
3-Methyl-Adenines	CN2(C1(=NC=NC/1=C(N)/N=C2))
3-OCTAPRENYL-4-HYDROXYBENZOATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C=C(C(=O)[O-])C=CC(\O)=1)
3-OXO-5-BETA-CHOLANATE	C[C@@H]([C@@H]3(CC[C@@H]4([C@H]2(CC[C@H]1(CC(=O)CC[C@@](C)1[C@H]2CC[C@](C)34)))))CCC(=O)[O-]
3-OXO-CHOLYL-COA	CC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7([C@H](O)C[C@H]4(CC(=O)CC[C@@](C)4[C@@H](C[C@H](O)[C@](C)56)7))))
3-OXO-DELTA4-CHOLYL-COA	CC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7([C@H](O)CC4(/[C@](C)(CCC(=O)C=4)[C@@H](C[C@H](O)[C@](C)56)7))))
3-OXO-DELTA4-DEOXYCHOLYL-COA	C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7(CCC4(/[C@](C)(CCC(=O)C=4)[C@@H](C[C@H](O)[C@](C)56)7))))
3-OXO-DELTA46-CHOLYL-COA	CC(CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7(C=CC4(/[C@](C)(CCC(=O)C=4)[C@@H](C[C@H](O)[C@](C)56)7))))
3-OXO-DEOXYCHOLYL-COA	C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7(CC[C@H]4(CC(=O)CC[C@@](C)4[C@@H](C[C@H](O)[C@](C)56)7))))
3-OXOADIPATE-ENOL-LACTONE	C(=O)(CC1(/OC(=O)CC=1))[O-]
3-OXOPIMELOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CC(CCCC([O-])=O)=O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
3-P-HYDROXYPYRUVATE	C(OP([O-])(=O)[O-])C(=O)C(=O)[O-]
3-P-SERINE	C(OP([O-])([O-])=O)[C@H]([N+])C(=O)[O-]
3-UREIDO-ISOBUTYRATE	C[C@H](CNC(N)=O)C(=O)[O-]
3-UREIDO-PROPIONATE	C(NC(=O)N)CC([O-])=O
34-DICHLOROANILINE	C1(/C(\N)=C/C(/Cl)=C(C=1)/Cl)
34-DIHYDROXYPHENYLACETALDEHYDE	C1(/C(\C[CH]=O)=C/C(/O)=C(C=1)/O)
34-DIHYDROXYPHENYLPYRUVATE	C(C(CC1(/C=CC(/O)=C(C=1)/O))=O)(=O)[O-]
35-DICHLOROCATECHOL	C1(\C(\Cl)=C/C(/O)=C(C(\Cl)=1)/O)
36-DICHLOROCATECHOL	C1(/C(/Cl)=C(C(/O)=C(C=1)/Cl)/O)
3Z-PHYCOCYANOBILIN	CC=C1([C@@H](C)C(NC\1=C/C4(/NC(\C=C2(C(\CCC([O-])=O)=C(C)/C(=N2)C=C3(C(\C)=C(CC)/C(=O)N3)))=C(CCC([O-])=O)/C(\C)=4))=O)
3Z-PHYCOERYTHROBILIN	CC=C1([C@@H](C)C(NC\1=C/C4(/NC(\C=C2(C(\CCC([O-])=O)=C(C)/C(=N2)C[C@H]3(C(\C)=C(C=C)/C(=O)N3)))=C(CCC([O-])=O)/C(\C)=4))=O)
4-ALPHA-METHYL-5-ALPHA	CC(C)CCC[C@H]([C@H]4([C@]1(C)([C@H](C2([C@H](CC1)[C@]3(C)([C@@H](CC=2)[C@H](C)[C@@H](O)CC3)))CC4)))C
4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON	CC(C)CCC[C@@H](C)[C@@H]3(CC[C@@H]4(C1([C@@H]([C@]2(CCC(=O)[C@@H](C)[C@H](CC=1)2)(C))CC[C@](C)34)))
4-AMINO-4-DEOXYCHORISMATE	C=C(C(=O)[O-])O[C@@H]1([C@H]([N+])C=CC(\C([O-])=O)=C/1)
4-AMINO-BUTYRALDEHYDE	C(C[N+])C[CH]=O
4-AMINO-BUTYRATE	C(C[N+])CC([O-])=O
4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE	C1(/C(/OC(=O)C=1)=C/C(=O)[O-])
4-CYTIDINE-5-DIPHOSPHO-2-C	C[C@](O)(CO)[C@H](O)COP(OP([O-])(=O)OC[C@H]2([C@H]([C@@H](O)[C@H](N1(C(N=C(C=C1)N)=O))O2)O))([O-])=O
4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-6S	CC(=O)N[C@@H]2(C(O)O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O[C@H]1(OC(\C([O-])=O)=C/[C@H](O)[C@@H](O)1))2)
4-FLUOROBENZOATE	C(=O)([O-])C1(/C=CC(\F)=C/C=1)
4-HYDROXY-2-KETOVALERATE	C[C@H](O)CC(=O)C([O-])=O
4-HYDROXY-BUTYRATE	C(CCC([O-])=O)O
4-HYDROXY-BUTYRYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCO)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
4-HYDROXY-L-PROLINE	C1([N+][C@H](C(=O)[O-])C[C@@H](O)1)
4-HYDROXYBENZALDEHYDE	[CH](C1(/C=CC(\O)=C/C=1))=O
4-HYDROXYPHENYLACETATE	C1(/C=C(O)C=CC(\CC(=O)[O-])=1)
4-IMIDAZOLONE-5-PROPIONATE	C(C1(C(=O)N=CN1))CC(=O)[O-]
4-MALEYL-ACETOACETATE	C([O-])(=O)C=CC(=O)CC(=O)CC([O-])=O
4-METHYL-824-CHOLESTADIENOL	CC(C)=CCC[C@@H](C)[C@@H]2(CC[C@@H]3(C4(/CC[C@@H]1([C@H](C)[C@@H](O)CC[C@@](C)1C(/CC[C@](C)23)=4))))
4-METHYLBENZYL-ALCOHOL	CC1(/C=CC(\CO)=C/C=1)
4-METHYLCATECHOL	CC1(/C=CC(/O)=C(C=1)/O)
4-OH-4-ACETYL-2-OXOGLUTARATE	C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-]
4-OXALOMESACONATE	C(=O)([O-])C=C(CC(C([O-])=O)=O)C([O-])=O
4-P-PANTOTHENATE	CC([C@H](C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C
4-PHOSPHONOOXY-THREONINE	C(=O)([O-])[C@@H]([N+])[C@H](O)COP([O-])(=O)[O-]
4-hydroxybenzoate	C(C1(/C=CC(\O)=C/C=1))(=O)[O-]
44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET	CC(C)CCC[C@@H](C)[C@@H]4(CC[C@H]1([C@](C)(CC[C@@H]3(C1=CC[C@@H]2(C(C)(C)[C@H](CC[C@@](C)23)O)))4))
44-DIMETHYL-824-CHOLESTADIENOL	CC(C)=CCC[C@@H](C)[C@@H]2(CC[C@@H]3(C4(/CC[C@@H]1(C(C)(C)[C@@H](O)CC[C@@](C)1C(/CC[C@](C)23)=4))))
44-DIMETHYL-CHOLESTA-814-24-TRIENOL	CC(C)=CCC[C@H]([C@H]4([C@]2(C)(C(C3(/CC[C@H]1(C(C)(C)[C@@H](O)CC[C@@]1(C(/CC2)=3)C)))=CC4)))C
5-AMINO-LEVULINATE	C(C(C[N+])=O)CC([O-])=O
5-AMINOPENTANOATE	C(CC[N+])CC(=O)[O-]
5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE-	C3(O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](O)[C@@H](O)C(=O)3)
5-DEHYDROGLUCONATE	C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
5-HYDROXY-CTP	C([C@H]2([C@H]([C@@H](O)[C@H](N1(C(N=C(C(\O)=C/1)N)=O))O2)O))OP(OP(OP([O-])([O-])=O)([O-])=O)([O-])=O
5-HYDROXYINDOLE_ACETALDEHYDE	C1(/C(\O)=C/C2(/C(\C[CH]=O)=C/NC(\C=1)=2))
5-HYDROXYINDOLE_ACETATE	C([O-])(=O)CC1(/C2(/C(\NC=1)=C/C=C(O)C=2))
5-HYDROXYISOURATE	C2([C@]1(O)(NC(=O)NC1=NC(=O)N2))(=O)
5-IODOPENTAPHOSPHONATE	C(P(O)([O-])=O)CCCI
5-KETO-4-DEOXY-D-GLUCARATE	C(C(C[C@@H]([C@H](C([O-])=O)O)O)=O)([O-])=O
5-METHYL-THF	CN1([C@H](CNC2(\N=C(N)NC(=O)C\1=2))CNC3(/C=CC(\C(=O)N[C@H](C(=O)[O-])CCC([O-])=O)=C/C=3))
5-METHYLTHIOADENOSINE	CSC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N3(C=NC2(/C(=NC=NC(/N)=2)3)))
5-METHYLTHIOINOSINE	CSC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC=NC2=3)))
5-OXOPROLINE	C(=O)([C@@H]1(NC(CC1)=O))[O-]
5-P-BETA-D-RIBOSYL-AMINE	C(OP([O-])(=O)[O-])[C@H]1([C@@H](O)[C@@H](O)[C@H]([N+])O1)
5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE	C(NC=O)C(=O)N[C@@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1)
5-PHOSPHO-RIBOSYL-GLYCINEAMIDE	C([N+])C(=O)N[C@@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1)
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE	C2(/[N+]=CN([C@H]1(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)1))C(\N)=2)
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE	C(NC=O)C(=[N+])N[C@@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1)
6-CARBOXYHEX-2-ENOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC(=O)[O-])COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
6-CHQ	C1(\C(\O)=C/C(/O)=C(C(\Cl)=1)/O)
6-HYDROXY-NICOTINATE	C1(\N=C(O)C=CC(\C(=O)[O-])=1)
6-KESTOSE	C([C@@H]3(O[C@H](O[C@]2(O[C@H](CO[C@]1(O[C@H](CO)[C@H]([C@H](O)1)O)CO)[C@H]([C@H](O)2)O)CO)[C@@H]([C@@H](O)[C@@H]3O)O))O
6-OXO-HEXANOATE	C(CC=O)CCC(=O)[O-]
7-8-DIHYDROPTEROATE	C(NC1(/C=CC(\C(=O)[O-])=C/C=1))C2(CNC3(\N=C(N)NC(=O)C(\N=2)=3))
7-CYANO-7-DEAZAGUANINE	C12(=C(C(NC(=N1)N)=O)C(\C#N)=C/N2)
7-METHYLGUANOSINE-5-PHOSPHATE	C[N+]1(=CN(C2(N=C(N)NC(=O)C1=2))[C@H]3(O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)3))
7-O-PHOSPHOHYGROMYCIN-B	C(OP([O-])([O-])=O)[C@@H]([N+])C4(OC2(O[C@@H]3([C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]1([C@H](O)[C@H](C[C@@H]([N+])[C@H](O)1)[N+]C))[C@@H](O2)3))[C@@H](O)[C@H](O)[C@H](O)4)
ACET	CC([O-])=O
ACETALD	C[CH]=O
ACETAMIDE	CC(=O)N
ACETOACETYL-COA	CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
ACETOL	CC(=O)CO
ACETONE	CC(=O)C
ACETYL-COA	CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
ACETYL-D-GLUCOSAMINYLDIPHOSPHO-UNDECAPRE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)
ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](NC(=O)C)2))O)NC(C)=O)
ACETYL-GLU	CC(=O)N[C@H](C([O-])=O)CCC(=O)[O-]
ACETYL-P	CC(OP([O-])(=O)[O-])=O
ACETYLSERINE	CC(OC[C@H]([N+])C(=O)[O-])=O
ACRYLATE	C=CC([O-])=O
ACRYLYL-COA	C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
ACTINOMYCIN-D	CC(C)[C@H]1(C(=O)N7([C@@H](C(N(C)CC(N([C@@H](C(C)C)C(=O)O[C@H](C)[C@@H](C(N1)=O)NC(=O)C6(\C=CC(/C)=C2(C(/N=C3(C(\O2)=C(C)/C(=O)C(/N)=C3/C(=O)N[C@@H]5([C@H](OC([C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]4(CCCN4C([C@@H](C(C)C)NC(=O)5)=O))=O)C)))=6)))C)=O)=O)CCC7))
ADENINE	C2(N)(N=CN=C1(NC=NC/1=2))
ADENOSINE	C(O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(N)=NC=NC2=3)))
ADENOSINE5TRIPHOSPHO5ADENOSINE	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OC[C@H]6([C@H]([C@H]([C@H](N4(C5(N=CN=C(C(N=C4)=5)N)))O6)O)O)
ADENOSINE_DIPHOSPHATE_RIBOSE	C(OP(OP([O-])(=O)OC[C@H]1([C@@H](O)[C@@H](O)C(O1)O))(=O)[O-])[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)O)O)
ADENOSYL-HOMO-CYS	C(SC[C@H]3([C@@H](O)[C@@H](O)[C@H](N1(C2(N=CN=C(N)C(N=C1)=2)))O3))C[C@@H](C([O-])=O)[N+]
ADENOSYL-P4	C([C@H]1([C@H]([C@H]([C@@H](O1)N2(C=NC3(C(=NC=NC2=3)N)))O)O))OP(OP(OP(OP(OC[C@H]4([C@H]([C@H]([C@@H](O4)N5(C=NC6(C(=NC=NC5=6)N)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=O
ADENOSYLCOBALAMIN	CC%15(/C=C%13(C(\N%12([C@@H]%14(O[C@H](CO)[C@@H](OP([O-])(=O)O[C@@H](C)CNC(=O)CC[C@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C6([C@@](CC(=O)N)([C@H](CCC(N)=O)C5(C=C8(C(C)(C)[C@H](CCC(N)=O)C7(C(\C)=C1/N2[Co---]([N+]=34)([N+]=56)([N+]=78)(C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O))[N+](=C%12)%13))))C)))))(C))[C@@H](O)%14)))=C/C(\C)=%15))
ADENOSYLCOBALAMIN-5-P	CC%15(/C=C%13(C(\N%12([C@@H]%14(O[C@H](COP([O-])(=O)[O-])[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C8([C@@](CC(=O)N)([C@H](CCC(N)=O)C7(C=C6(C(C)(C)[C@H](CCC(N)=O)C5(C(\C)=C1/N2[Co---]([N+]=34)([N+]=56)([N+]=78)(C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O))[N+](=C%12)%13))))C)))))(C))[C@@H](O)%14)))=C/C(\C)=%15))
ADENOSYLCOBINAMIDE	C[C@@H](O)CNC(=O)CC[C@]2(C)([C@@H](CC(=O)N)[C@H]4([C@@]%11(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(=[N+]([Co--]35([N+]1(C(\C(C)(C)[C@H](CCC(N)=O)C=1C(\C)=C2/N34)=C/C6([C@@H](CCC(N)=O)[C@](C)(CC(N)=O)C(/[N+]5=6)=C(C)/7)))(C[C@H]8([C@H]([C@@H](O)[C@@H](O8)N9(C=NC%10(C(=NC=NC9=%10)N)))O)))%11))))
ADENOSYLCOBINAMIDE-GDP	C[C@@H](OP([O-])(=O)OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3))))CNC(=O)CC[C@]8(C)([C@@H](CC(=O)N)[C@H]%10([C@@]%14(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C%13(=[N+]([Co--]9%11(C[C@H]6([C@@H](O)[C@H]([C@H](N4(C=NC5(C(N)=NC=NC4=5)))O6)O))([N+]7(C(\C(C)(C)[C@H](CCC(N)=O)C=7C(\C)=C8/N9%10)=C/C%12([C@@H](CCC(N)=O)[C@](C)(CC(N)=O)C(/[N+]%11=%12)=C(C)/%13))))%14))))
ADENOSYLCOBINAMIDE-P	C[C@@H](OP([O-])(=O)[O-])CNC(=O)CC[C@]2(C)([C@@H](CC(=O)N)[C@H]4([C@@]%11(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(=[N+]([Co--]35([N+]1(C(\C(C)(C)[C@H](CCC(N)=O)C=1C(\C)=C2/N34)=C/C6([C@@H](CCC(N)=O)[C@](C)(CC(N)=O)C(/[N+]5=6)=C(C)/7)))(C[C@H]8([C@H]([C@@H](O)[C@@H](O8)N9(C=NC%10(C(=NC=NC9=%10)N)))O)))%11))))
ADENYLOSUCC	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=NC=NC2=3)NC(CC(=O)[O-])C(=O)[O-])))
ADIPATE	C(CC([O-])=O)CCC(=O)[O-]
ADP	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(OP(=O)([O-])[O-])([O-])=O
ADP-D-GLUCOSE	C([C@H]1([C@H]([C@@H]([C@H]([C@H](O1)OP(OP(OC[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)O)O))(=O)[O-])(=O)[O-])O)O)O))O
ADP-L-GLYCERO-D-MANNO-HEPTOSE	C([C@@H]([C@@H]4(O[C@@H](OP(OP(OC[C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))([O-])=O)(=O)[O-])[C@H]([C@H]([C@@H]4O)O)O))O)O
AEROBACTIN	CC(=O)N(CCCC[C@H](NC(CC(O)(C(=O)[O-])CC(=O)N[C@H](C(=O)[O-])CCCCN(C(C)=O)O)=O)C([O-])=O)O
AG+	[Ag+]
AGMATHINE	C(CCC[N+])NC(=[N+])N
AICAR	C(OP(=O)([O-])[O-])[C@H]1([C@@H](O)[C@@H](O)[C@@H](O1)N2(C=NC(\C(=O)N)=C(N)/2))
ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
ALL-TRANS-HEXAPRENYL-DIPHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
ALL-TRANS-PENTAPRENYL-DIPHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
ALLYSINE	[CH](=O)CCC[C@H]([N+])C(=O)[O-]
ALPHA-D-GALACTOSE	C(O)[C@@H]1(O[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1)
ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE	C(OP([O-])(=O)[O-])[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)1))C(=O)[O-]
ALPHA-GLUCOSE	C(O)[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)
ALPHA-GLUCOSE-16-BISPHOSPHATE	C(OP([O-])(=O)[O-])[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)OP(=O)([O-])[O-])
ALPHA-MALTOSE	C([C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@H](O[C@@H]([C@@H]([C@H]2O)O)O)CO)))O
ALPHA-RIBAZOLE	CC1(/C(\C)=C/C2(/N(C=NC(\C=1)=2)[C@H]3([C@H](O)[C@H](O)[C@@H](CO)O3)))
ALPHA-RIBAZOLE-5-P	CC1(/C(\C)=C/C2(/N(C=NC(\C=1)=2)[C@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
ALPHA-TOCOPHEROL	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)(CCC2(/C(\O1)=C(C)/C(/C)=C(C(\C)=2)/O))
ALPHAALPHA-TREHALOSE-66-BISMYCOLATE	CCCCCCCCCCCCCCCCCCCCCCCCCCC([C@H](O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OC[C@@H]3(O[C@@H]([C@@H]([C@H]([C@@H]3O)O)O)O[C@H]4([C@@H]([C@H]([C@@H]([C@H](O4)CCCCCCCCCCCCCCCCCCCCCCCCCCCC([C@H](O)CCCCCCCCCCCCCCCC6(CC(CCCCCCCCCCC5(CC(CCCCCCCCCCCCCCCCCC)5))6))C(=O)O)O)O)O))
AMIDINOPROCLAVAMINATE	C1(CCN([C@@H]([C@@H](CCNC(N)=[N+])O)C(=O)[O-])1)=O
AMINO-HYDROXYMETHYL-METHYL-PYR-P	CC1(N=CC(\COP(=O)([O-])[O-])=C(N)/N=1)
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP	CC1(N=C(N)C(\COP(OP([O-])([O-])=O)([O-])=O)=C/N=1)
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE	C(O)C1(=NC2(/C(=O)NC(N)=NC(/NC1)=2))
AMINO-OXOBUT	CC(=O)[C@H]([N+])C([O-])=O
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE	C(NC1(NC(NC(=O)C(N)=1)=O))[C@H](O)[C@H](O)[C@H](O)CO
AMINOHYDROQUINONE	C1(\C=C(O)C(\N)=C/C(\O)=1)
AMMONIA	[NH3]
AMMONIUM	[NH4+]
AMP	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP([O-])([O-])=O
ANDROST4ENE	C[C@]34(CCC(=O)C=C(CC[C@H]1([C@H](CC[C@]2(C)(C(CC[C@@H]12)=O))3))4)
ANHYDROTETRACYCLINE	CC3(/C4(C=CC=C(O)C(C(/O)=C1(C(\C[C@@H]2([C@@](C1=O)(O)C(=O)C(/C(=O)N)=C([C@@H]([N+](C)C)2)/[O-]))=3))=4))
ANTHRANILATE	C(C1(/C(\N)=C/C=CC=1))(=O)[O-]
ANTIMONITE	[O-][Sb]([O-])[O-]
APS	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O
ARACHIDIC_ACID	CCCCCCCCCCCCCCCCCCCC(=O)[O-]
ARG	C(NC(N)=[N+])CC[C@H]([N+])C(=O)[O-]
ARSENATE	[As](=O)(O)([O-])[O-]
ASCORBATE	C(O)[C@H](O)[C@H]1(C(/[O-])=C(C(=O)O1)/O)
ASN	C(C[C@@H](C(=O)[O-])[N+])(N)=O
ATABRINE	CC[N+](CCCC(NC2(/C3(C(\[N+]=C1(C=CC(\OC)=C/C\1=2))=C/C(\Cl)=C/C=3)))C)CC
ATP	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-]
ATRAZINE	CCNC1(=NC(Cl)=NC(=N1)NC(C)C)
Alpha-lactose	C([C@@H]1(O[C@H]([C@@H]([C@H]([C@H]1O)O)O)O[C@H]2([C@@H](CO)O[C@@H]([C@@H]([C@H]2O)O)O)))O
B-ALANINE	C(C[N+])C([O-])=O
BA+2	[Ba++]
BACIMETHRIN	C1(\N=C(N=C(N)C(\CO)=1)OC)
BENZALDEHYDE	C(=O)C1(/C=CC=CC=1)
BENZENE	C1(/C=CC=CC=1)
BENZIMIDAZOLE	C1(=NC2(/C(\N1)=C/C=CC=2))
BENZOATE	C(C1(/C=CC=CC=1))([O-])=O
BENZOYL-ACETATE	C([O-])(=O)CC(=O)C1(/C=CC=CC=1)
BENZOYLCOA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1(/C=CC=CC=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
BENZYL-ALCOHOL	C(C1(/C=CC=CC=1))O
BETA-D-FRUCTOSE	C(O)[C@@H]1(O[C@](O)(CO)[C@H]([C@@H]1O)O)
BETA-D-MANNOSYLPHOSPHODECAPRENOL	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)1)
BETA-D-XYLOSE	C1(O[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
BETA-HCH	[C@H]1(Cl)([C@@H](Cl)[C@@H]([C@@H](Cl)[C@@H]([C@H]1Cl)Cl)Cl)
BETA-TOCOPHEROL	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)(CCC2(/C(\O1)=C(C)/C=C(C(\C)=2)O))
BETAINE	C[N+](C)(CC([O-])=O)C
BETAINE-ALDEHYDE-HYDRATE	C[N+](C)(CC(O)O)C
BETAINE_ALDEHYDE	C[N+](C)(C[CH]=O)C
BIFURCOSE	C(O)[C@H]1([C@H]([C@H](O)[C@@H](O)[C@H](O1)O[C@@]2(O[C@@H]([C@@H](O)[C@H](O)2)CO[C@]3(O[C@@H]([C@H]([C@@H]3O)O)CO)CO)(CO[C@]4(O[C@@H]([C@H]([C@@H]4O)O)CO)CO))O)
BILIRUBIN	C=CC1(/C(/NC(C(\C)=1)=O)=C/C4(/NC(\CC3(/NC(\C=C2(C(\C)=C(C=C)/C(=O)N2))=C(C)/C(\CCC([O-])=O)=3))=C(CCC([O-])=O)/C(\C)=4))
BILIVERDINE	C=CC1(/C(/NC(C(\C)=1)=O)=C/C4(/NC(\C=C2(C(\CCC(=O)[O-])=C(C)/C(=N2)C=C3(C(\C)=C(C=C)/C(=O)N3)))=C(CCC(=O)[O-])/C(\C)=4))
BIO-5-AMP	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP([O-])(=O)OC(=O)CCCC[C@H]4(SC[C@H]5(NC(=O)N[C@H]45))
BIOTIN	C1(S[C@@H](CCCCC(=O)[O-])[C@@H]2(NC(=O)N[C@@H]12))
BIPHENYL-23-DIOL	C2(/C=CC(\C1(/C(/O)=C(C=CC=1)/O))=C/C=2)
BIS-GAMMA-GLUTAMYLCYSTINE	C(SSC[C@@H](C([O-])=O)NC(=O)CC[C@H]([N+])C([O-])=O)[C@@H](C([O-])=O)NC(=O)CC[C@H]([N+])C([O-])=O
BIS-GERANYLGERANYLGLYCEROL-PHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COC[C@@H](COP([O-])([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
BISOHMYR-GLC	CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1([C@@H](O[C@H](CO)[C@H]([C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC)O)OC[C@H]2([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O2)))O
BISOHMYR-GLUCOSAMINYL-1P	CCCCCCCCCCC[C@H](CC(N[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OP([O-])(=O)[O-])CO)O)OC(C[C@@H](CCCCCCCCCCC)O)=O))=O)O
BR-	[Br-]
BROMOACETATE	C(Br)C([O-])=O
BUTANAL	CCC[CH]=O
BUTANOL	CCCCO
BUTHIONINE-SULFOXIMINE	CCCCS(=O)(=N)CC[C@H]([N+])C(=O)[O-]
BUTYRIC_ACID	CCCC(=O)[O-]
BUTYRYL-COA	CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(N=CN=C(N)C(N=C2)=3))))[O-])[O-]
C-DI-GMP	C1([C@H]7([C@@H](OP([O-])(=O)OC[C@H]4([C@@H](OP([O-])(=O)O1)[C@@H](O)[C@H](N2(C3(N=C(N)NC(=O)C(N=C2)=3)))O4))[C@@H](O)[C@H](N5(C6(N=C(N)NC(=O)C(N=C5)=6)))O7))
C1	C[C@H](C(=O)N[C@H](C)C([O-])=O)NC(=O)[C@H](CCC[C@@H]([N+])C(=O)[O-])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1([C@H](O)[C@@H](CO)O[C@@H]([C@H](NC(=O)C)1)OP([O-])(=O)OP([O-])(=O)OC[C@H]2([C@@H](O)[C@@H](O)[C@@H](O2)N3(C=CC(=O)NC(=O)3)))
C3	C[C@H](C(=O)N[C@@H](C([O-])=O)C)NC(=O)[C@H](CCCC[N+])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]1([C@H](O)[C@@H](CO)O[C@@H]([C@H](NC(=O)C)1)OP(OP(OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)
C4	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@H]1([C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCCC[N+])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O)[C@@H](CO)O1))([O-])=O
C5	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]1([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O)[C@@H](CO)O1))([O-])=O
C55-PP-GLCNAC-MANNACA	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](CO)[C@@H](O[C@H]1(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](NC(C)=O)1))[C@H](O)[C@@H](NC(C)=O)2)
C55-PP-GLCNAC-MANNACA-FUC4NAC	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]3(O[C@H](CO)[C@@H](O[C@H]2(O[C@H](C(=O)[O-])[C@@H](O[C@@H]1(O[C@H](C)[C@H](NC(C)=O)[C@H](O)[C@@H](O)1))[C@H](O)[C@H](NC(C)=O)2))[C@H](O)[C@@H](NC(C)=O)3)
C6	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@H]([N+])C([O-])=O)C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)1))[C@@H](CO)O2)
CA+2	[Ca++]
CADAVERINE	C([N+])CCCC[N+]
CAFFEOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(O)C(\O)=C/C=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CAMP	C3(OP(=O)([O-])O[C@@H]4([C@@H](O)[C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O[C@H]34))
CANAVANINE	C(C[C@H]([N+])C(=O)[O-])ONC(=[N+])N
CARBAMATE	C(=O)([O-])N
CARBAMOYL-P	C(=O)(N)OP(=O)([O-])[O-]
CARBAMYUL-L-ASPARTATE	C(=O)([O-])C[C@H](NC(N)=O)C([O-])=O
CARBON-DIOXIDE	C(=O)=O
CARBON-MONOXIDE	[C-]#[O+]
CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL	C(CCC1(/[C@H](O)[C@H](O)C=CC=1))(=O)[O-]
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P	C(OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)C(=O)CNC1(\C=CC=CC(/C(=O)[O-])=1)
CARNITINE	C([C@H](O)CC(=O)[O-])[N+](C)(C)C
CATECHOL	C1(/C=CC(/O)=C(C=1)/O)
CD+2	[Cd++]
CDP	C([C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))OP(OP([O-])([O-])=O)([O-])=O
CDP-36-DIDEOXY-D-MANNOSE	C[C@@H]3(O[C@H](OP([O-])(=O)OP(OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)[C@H](O)C[C@H](O)3)
CDP-CHOLINE	C[N+](C)(C)CCOP([O-])(=O)OP([O-])(=O)OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=NC2=O)N))
CDP-D-GLUCOSE	C([C@@H]3(O[C@H](OP(OP(OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)([O-])=O)[C@@H]([C@H]([C@@H]3O)O)O))O
CELLOBIOSE	C([C@H]2([C@H]([C@@H]([C@H]([C@H](O[C@H]1([C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO))O2)O)O)O))O
CH33ADO	C[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(N)=NC=NC2=3)))
CH4	C
CHALCONE-CMPD	C2(/C=CC(C=CC(=O)C1(/C=CC=CC=1))=CC=2)
CHLORALAN-CPD	C(Cl)[C@H]([N+])C([O-])=O
CHLORAMPHENICOL	C(O)[C@@H](NC(=O)C(Cl)Cl)[C@@H](C1(/C=CC(\[N+](=O)[O-])=C/C=1))O
CHLOROHYDROQUINONE	C1(/C(\O)=C/C(/Cl)=C(C=1)/O)
CHLOROPHYLL-A	C=CC4(/C(\C)=C3(C=C9([C@@H](C)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C8(=N(.[Mg]25(.N1(=C(C(\CC)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C@@H-](C(OC)=O)C(=O)7)/8)))))9))))
CHLOROPHYLL-B	C=CC4(/C(\C)=C3(C=C9([C@@H](C)[C@H](CCC(=O)OCC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C8(=N(.[Mg]25(.N1(=C(C(/CC)=C(C/1=C/C(/N23)=4)/C=O)C=C6(C(/C)=C7(C(/N56)=C([C@@H](C(OC)=O)C(=O)7)/8)))))9))))
CHLOROPHYLLIDE-A	C=CC4(/C(\C)=C3(C=C9([C@@H](C)[C@H](CCC(=O)[O-])C8(=N(.[Mg]25(.N1(=C(C(\CC)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C@@H-](C(OC)=O)C(=O)7)/8)))))9))))
CHOLATE	C[C@H](CCC(=O)[O-])[C@@H]2(CC[C@@H]3([C@H]4([C@H](O)C[C@H]1(C[C@H](O)CC[C@@](C)1[C@@H](C[C@H](O)[C@](C)23)4))))
CHOLESTEROL	CC(C)CCC[C@@H](C)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
CHOLINE	C(CO)[N+](C)(C)C
CHORISMATE	C=C(C(=O)[O-])O[C@@H]1([C@H](O)C=CC(\C([O-])=O)=C/1)
CINNAMOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CIS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-EN-	C1(\C(/OC(=O)C(\Cl)=1)=C/C(=O)[O-])
CIS-3-HEXENAL	CCC=CC[CH]=O
CIS-3-HEXENOL	CCC=CCCO
CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL	C2(/C=CC(\C1(/[C@@H](O)[C@@H](O)C=CC=1))=C/C=2)
CIS-ACONITATE	C([O-])(=O)C(\CC(=O)[O-])=C/C(=O)[O-]
CIS-CIS-MUCONATE	[CH](/[CH]=CC([O-])=O)=[CH]/C([O-])=O
CIT	C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
CL-	[Cl-]
CLAVAMINATE	[C@@H]12(N(C(=O)C1)[C@H](C([O-])=O)C(/O2)=C/C[N+])
CMP	C([C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))OP([O-])([O-])=O
CMP-KDO	C(O)[C@@H](O)[C@@H]3(O[C@@](OP(OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)(C([O-])=O)C[C@H]([C@H]3O)O)
CMP-N-ACETYL-NEURAMINATE	CC(=O)N[C@H]3([C@H](C[C@](C([O-])=O)(OP(=O)([O-])OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))O[C@H]3[C@H](O)[C@H](O)CO)O)
CO+2	[Co++]
CO-A	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OC[C@@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(N=CN=C(N)C(N=C2)=3))))[O-])[O-]
COBALT-FACTOR-III	CC5(/C8(/N2(C(\C=C7(C(\CCC(=O)[O-])=C(CC(=O)[O-])/C6(C=C1([C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C3(/N1[Co--]2([N+]4(=C(C=3)[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C/4=5))[N+]=67)))))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=8)))
COFORMYCIN	C1(NC=[N+]C2(N(C=NC([C@@H]1O)=2)[C@H]3(O[C@H](CO)[C@@H](O)[C@H]3O)))
COPROPORPHYRINOGEN_III	CC2(/C(\CCC([O-])=O)=C1(CC5(/NC(\CC4(/NC(\CC3(/NC(\CC(/N1)=2)=C(C)/C(\CCC([O-])=O)=3))=C(CCC([O-])=O)/C(\C)=4))=C(CCC(=O)[O-])/C(\C)=5)))
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CPD-1001	CC(C1(C=CC(\C)=C/C=1))C
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CPD-10014	C=CCC3(C(=O)CC(O)C(C(C(/C)=C/C1(CCC(O)C(O)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(/C)=C/3)C(OC)CC(C)4)))C)
CPD-10016	C=CCC3(C(=O)CC(O)C(C(C(/C)=C/C1(CCC(O)C(OC)C1))OC(=O)C2(CCCCN2C(=O)C(=O)C4(O)(OC(C(OC)CC(C)CC(/C)=C/3)C(OC)CC(C)4)))C)
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CPD-1002	CC(C1(C=CC(\CO)=C/C=1))C
CPD-1003	CC(C1(C=CC(\C=O)=C/C=1))C
CPD-1004	CC(C1(C=CC(\C([O-])=O)=C/C=1))C
CPD-10044	C=C(C)[C@H]1(CC[C@@H](C)OC(=O)C1)
CPD-10047	C=C(C)[C@H](CC[C@H](O)C)CC([O-])=O
CPD-1005	CC(C1(/[C@H](O)[C@H](O)C(\C([O-])=O)=C/C=1))C
CPD-1006	CC(C)C1(C=CC(/C(=O)[O-])=C(C(O)=1)/O)
CPD-10064	C=C(C)[C@@H]1(CC[C@@H](C)OC(=O)C1)
CPD-10065	C=C(C)[C@@H](CC[C@H](O)C)CC([O-])=O
CPD-10068	C=C(C)[C@H]1(CC[C@H](C)C(=O)OC1)
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CPD-1007	CC(C)C(=O)C=CC(\C([O-])=O)=C(C([O-])=O)/O
CPD-1008	CC(C)C(=O)C=CC=C(O)C([O-])=O
CPD-10080	C(O)[C@H]2(C(NC(=O)C(CC1(/C=CC(\O)=C/C=1))[N+])[C@@H](O)C(O2)N3(C4(N=CN=C(N)C(N=C3)=4)))
CPD-10082	CC(=O)NC(CC1(/C=CC(\O)=C/C=1))C(=O)NC2([C@@H](O)C(O[C@H](CO)2)N3(C4(N=CN=C(N)C(N=C3)=4)))
CPD-10088	CC(=O)NC(CC1(/C=CC(\O)=C/C=1))C(=O)NC2([C@@H](O)C(O[C@H](CO)2)N3(C4(N=CN=C(N(C)C)C(N=C3)=4)))
CPD-10091	CC(=O)NC(CC1(/C=CC(\OC)=C/C=1))C(=O)NC2([C@@H](O)C(O[C@H](CO)2)N3(C4(N=CN=C(N(C)C)C(N=C3)=4)))
CPD-10092	C1(\C=C(C=CC(\C(CBr)=O)=1)[N+](=O)[O-])
CPD-101	C1(OCCCCC1)=O
CPD-10116	CC(\CC[C@]1(C)([C@@H](C)CC=C2([C@](C)(C)CCCC12)))=C/COP([O-])(=O)OP([O-])(=O)[O-]
CPD-10117	CC(\CC[C@]1(C)([C@@H](C)CC=C2([C@](C)(C)CCCC12)))=C/CO
CPD-10135	CC(C)CCCCC(C1([C@H](CO)COC(=O)1))=O
CPD-10151	C1([C@H]([N+])[C@@H](O)[C@H](O)[C@@H](O)[C@H]([N+])1)
CPD-10158	C[C@H]2([C@@]1(O)(CCCC[C@@](C)1CCC2))
CPD-10159	CC1(\CC[C@@H](C(O)(C)C)C=C[C@@H](C)CCC=1)
CPD-10160	C[C@H]2(C1(C=CCC[C@@](C)1CCC2))
CPD-102	C(CCO)CCC(=O)[O-]
CPD-1022	C(CCNO)[N+]
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CPD-10224	C(O)[C@H]1([C@@H](O)[C@H]([N+])[C@@H](O)C(O)O1)
CPD-10225	C(OP([O-])([O-])=O)[C@@H]1(OC(O)[C@H](O)[C@@H]([N+])[C@H](O)1)
CPD-10227	[CH](=[N+])[C@H](O)[C@H](O)COP([O-])(=O)[O-]
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CPD-10229	C(=O)([O-])[C@]1(O)(CC(=O)[C@@H](O)[C@H]([N+])C1)
CPD-1023	CC(N(O)CCC[N+])=O
CPD-10230	C([O-])(=O)C1(/C[C@@H]([N+])[C@H](O)C(=O)C=1)
CPD-10231	C(=O)([O-])C1(/C=C(O)C=C(N)C=1)
CPD-10237	C[C@H]3([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](O)C=CO[C@]1(C)(C(=O)C2(\C4(C(/C(\O)=C(C)/C(/O1)=2)=C(C(\NC(=O)C(\C)=C/C=C3)=C/C(O)=4)/O))))
CPD-10238	C[C@H]3([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C=CO[C@]1(C)(C(=O)C2(\C4(C(/C(\O)=C(C)/C(/O1)=2)=C(C(\NC(=O)C(\C)=C/C=C3)=C/C(O)=4)/O))))
CPD-10239	C[C@H]4([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)C=CO[C@]1(C)(C(=O)C2(\C3(/C(=O)C=C(C(=O)C(\C(\O)=C(C)/C(/O1)=2)=3)NC(=O)C(\C)=C/C=C4))))
CPD-10241	C[C@H]3([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=C(C(=O)C1(\C2(/C(=O)C=C(C(=O)C(\C(O)C(C)C(/O)=1)=2)NC(=O)C(\C)=C/C=C3)))C)
CPD-10242	C[C@H]3([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)C=C(C(=O)C1(\C2(/C(=O)C=C(C(=O)C(\C(\O)=C(C)/C(/O)=1)=2)NC(=O)C(\C)=C/C=C3)))C)
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CPD-10269	CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-10290	CC(C)C[C@@H]2(C(=O)N[C@@H](C(N4([C@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC[N+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(=O)N1([C@@H](CCC1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC[N+])C(=O)N2))CC3(/C=CC=CC=3))CCC4))=O)CC5(/C=CC=CC=5))
CPD-10313	CC(=O)N[C@H]3([C@@H](NC(=O)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O[C@H](C(=O)[O-])[C@@H](O)3)
CPD-10314	CC(=O)N[C@H]3([C@H](NC(=O)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O[C@H](C(=O)[O-])[C@@H](O)3)
CPD-10324	C1(N)(=NC(/N)=C(N=C(C(N=C(N)N)=O)1)/Cl)
CPD-10336	C=CC4(/C(\C)=C3(C=C9(C(\C)=C(C=CC(=O)[O-])/C8(=N(.[Mg]25(.N1(=C(C(\CC)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C-](C(OC)=O)C(=O)7)/8)))))9))))
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CPD-10353	C[C@@H](O)C(=O)C
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CPD-10437	CS(=O)(=O)C
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CPD-10483	C(CC[C@@H](C([O-])=O)NC(=O)CCC([O-])=O)NC(=O)N
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CPD-105	C([O-])(=O)[C@@H](C1(/C=CC(\O)=C/C=1))O
CPD-10505	C[C@H](CCC[C@H](C)C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O)[C@@H]4(CC[C@H]5([C@@](C)4[C@@H](O)C[C@@H]6([C@H]5[C@H](O)C[C@@H]7([C@@](C)6CC[C@@H](O)C7))))
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CPD-10608	C1(/C(\OC(=O)C=1)=C/C(=O)[O-])
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CPD-10615	CC1(/C(\O)=C/C=C(Cl)C=1)
CPD-10616	CC1(/C(/O)=C(C=C(Cl)C=1)/O)
CPD-10622	C1(\C(/Cl)=C(C(/[O-])=C(C(\Cl)=1)/Cl)/O)
CPD-10623	C1(\C(/Cl)=C([C@H](O)[C@H](O)C(\Cl)=1)/Cl)
CPD-10624	C1(\[C@H](O)[C@H](O)C=C(Cl)C(\Cl)=1)
CPD-10626	C1(\C(/Cl)=C(C=C(O)C(\O)=1)/Cl)
CPD-1063	CSC[C@@H](O)[C@@H](O)C(=O)COP([O-])(=O)[O-]
CPD-10631	C([O-])(=O)C=CC(/Cl)=C(C([O-])=O)/Cl
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CPD-10633	C1(/C(\OC(=O)C=1)=C(C(=O)[O-])/Cl)
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CPD-10635	C([O-])(=O)C(\Cl)=C/C(/Cl)=C(C([O-])=O)/Cl
CPD-10636	C1(\C(\OC(=O)C(\Cl)=1)=C(C(=O)[O-])/Cl)
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CPD-10640	C=C1(C=CC(=O)O1)
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CPD-10654	CC1(/C=CC=C(Cl)C=1)
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CPD-10659	C(O)C1(/C=CC=C(Cl)C=1)
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CPD-10664	CC1(/C=CC(/O)=C(C=1)/C([O-])=O)
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CPD-107	C[N+]CCCC(=O)C1(/C=NC(\O)=C/C=1)
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CPD-10750	C[C@@H]3(C([C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)=O)
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CPD-10752	C[C@@H]3([C@@H]([C@@H]([C@@H](NC(C)=O)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O3)O)NC(=O)C)
CPD-10753	C[C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O)O1)NC(=O)C)O)NC(=O)C)
CPD-10754	C[C@H](O)[C@H](NC(=O)C)[C@@H]1([C@H]([C@H](C[C@](C([O-])=O)(O)O1)O)NC(C)=O)
CPD-10755	C[C@H](O)[C@H](NC(=O)C)[C@@H]3([C@H]([C@H](C[C@](C([O-])=O)(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(=NC2=O)N))O)O))([O-])=O)O3)O)NC(=O)C)
CPD-10766	C(NC2(/C=CC(\[C@H]1(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)1))=C/C=2))C3(CNC4(\N=C(N)NC(=O)C(\N=3)=4))
CPD-10774	C[C@@]1(O)(OC[C@H](O)[C@@](O)(O)1)
CPD-1078	C[C@@H]1(O[C@@H]([C@@H](CC1=O)O)OP([O-])(=O)OP(OC[C@H]3([C@H]([C@H]([C@H](N2(C(N=C(C=C2)N)=O))O3)O)O))([O-])=O)
CPD-10780	CCCC(=O)CC(=O)N[C@@H]1(CCOC(=O)1)
CPD-10781	C[C@@H](O)CC(=O)N[C@@H]1(CCOC(=O)1)
CPD-10782	CCCCCC(=O)CC(N[C@@H]1(CCOC(=O)1))=O
CPD-10783	CCCCCCCCCC(=O)CC(=O)N[C@@H]1(CCOC(=O)1)
CPD-10784	CCCC(=O)N[C@@H]1(CCOC(=O)1)
CPD-10785	CCCCCCCC(=O)N[C@@H]1(CCOC(=O)1)
CPD-10786	CCCCCCCCCC(=O)[C@@H](O)CC
CPD-10789	C[C@H](C1([C@H](C)NC2(\N=C(NC(C(\N=1)=2)=O)N)))NC4(/C=CC(\C[C@@H]([C@@H]([C@@H](CO[C@H]3([C@@H]([C@@H]([C@@H](COP([O-])(=O)O[C@H](C([O-])=O)CCC([O-])=O)O3)O)O))O)O)O)=C/C=4)
CPD-10792	CC(=O)[C@@H](O)[C@H](O)C[C@H]([N+])C([O-])=O
CPD-10796	C(C=CC1(/C(/O)=C(C=CC=1)/O))(=O)[O-]
CPD-10797	C(C=CC1(C=C(O)C=CC=1))(=O)[O-]
CPD-108	CC1(/C=CC(\O)=C/C=1)
CPD-10801	C[C@@H](O)CC(=O)N[C@@H](CCO)C(=O)[O-]
CPD-10802	CCCCCCCCCC(=O)CC(=O)N[C@@H](CCO)C(=O)[O-]
CPD-10803	CCCC(=O)N[C@@H](CCO)C(=O)[O-]
CPD-10804	CCCC(=O)CC(=O)N[C@@H](CCO)C(=O)[O-]
CPD-10805	CCCCCCCC(=O)N[C@@H](CCO)C(=O)[O-]
CPD-10809	C(NC1(\N=C(NC(=O)C(\N)=1)N))[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
CPD-10818	C=C(CCOP(=O)([O-])[O-])C
CPD-10821	C(Cl)(=O)C=C([O-])C=CC(=O)[O-]
CPD-10823	CC1(CC([O-])=O)(C=CC(=O)O1)
CPD-1086	C(NC1(NC(NC(=O)C(N)=1)=O))[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
CPD-10862	C([O-])(=O)CC1(/C=CC(/O)=C(C=1)/Cl)
CPD-10864	C1(/C=C(C(/Cl)=C(C=1)/Cl)O)
CPD-10865	C1(/C=C(Cl)C(/[O-])=C(C=1)/Cl)
CPD-10866	C1(/C=C(Cl)C(\O)=C/C=1)
CPD-10868	C1(/C=C(C=C(C=1)Cl)O)
CPD-10870	C1(\C=C(C=CC(\Cl)=1)O)
CPD-1091	[C@@H](O)(C([O-])=O)NC(N)=O
CPD-1092	C=CC1(C=CC=CC=1)
CPD-1099	C(O[C@H]1([C@@H]([C@H]([C@H]([C@@H](CO)O1)O)O)O))[C@H]2([C@H]([C@@H]([C@H]([C@H](O2)O[C@@]3(CO)([C@H]([C@@H]([C@@H](CO)O3)O)O))O)O)O)
CPD-110	C(C1(/C(\O)=C/C=CC=1))([O-])=O
CPD-11020	C(=O)([O-])C(=O)C[C@H](O)CCl
CPD-1106	C(CP([O-])(O)=O)[N+]
CPD-1107	[C@@H]1(O)([C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)[O-])[C@@H](OP([O-])(=O)[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])1)
CPD-111	CC1(/C(/O)=C(C=CC=1)/O)
CPD-1111	C([C@@H]([C@@H]([C@@H](COP(OP(OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O)(=O)[O-])O)O)O)O
CPD-1112	CC1(C(/O)=C(C(\CO)=C/N=1)/C([O-])=O)
CPD-1114	C(=O)([O-])[C@@H](O)[C@H](O)[C@H](O)CO
CPD-1121	[C@@H]2(O)([C@@H](O)[C@H]1(OP([O-])(=O)O[C@@H]1[C@H](O)[C@@H](O)2))
CPD-11220	C(=O)([O-])C1(/C=C(Cl)[C@@H](O)[C@@H](O)C=1)
CPD-11222	C([O-])(=O)C1(/C=C(C(/O)=C(C=1)/O)Cl)
CPD-11241	C([O-])(=O)C1(/O[C@@H]([C@H](O)[C@H](C=1)O)O[C@H]2([C@H](O)[C@H](C(O)O[C@H](C([O-])=O)2)O))
CPD-11253	C(O)CC=CC[C@@H]1(C(=O)CC[C@@H]1CC([O-])=O)
CPD-11260	C(O)CC=CC[C@H]1(C(=O)CC[C@@H]1CC([O-])=O)
CPD-11281	C(SS)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
CPD-1133	C1([C@H]([C@@H]([C@H](C(C1=O)=O)O)O)O)
CPD-1134	C(O)[C@H](O)CC(=O)C(=O)[O-]
CPD-1136	CC(/C([O-])=O)=C(CC([O-])=O)/C([O-])=O
CPD-11419	C([O-])(=O)C3(/C=C2(C(=O)CC[C@@]1([C@@H](O)[C@@H](O)C(O)O1)C/2=C/C=3))
CPD-11420	C([O-])(=O)C2(/C=C1(C(\O)=C/C=C(O)C/1=C/C=2))
CPD-11426	C[C@]4([C@H](O)CC[C@@]3(C)([C@H](CC[C@@H]1(C[C@H]2([C@](CO)(O)CCC1(C2)3)))4))(CO)
CPD-11445	C(N2(CC[N+](CCC1(/C=CC(\C([O-])=O)=C/C=1))CC2))C=CC3(C=CC(\Cl)=C/C=3)
CPD-11446	CC(\C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC1(/C(C)(C)CCCC(\C)=1))C)C
CPD-11447	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)C
CPD-11448	CC(\C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC1(/C(C)(C)CCCC(\C)=1))C)C
CPD-11449	CC(\C=CC=C(C=CC=C(C=CC(O)C(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC1(/C(C)(C)CC(O)CC(\C)=1))C)C
CPD-11450	CC(\C=CC=C(C=CC=C(C=CC(OC1([C@@H](O)[C@H](O)[C@H](O)[C@H](C)O1))C(C)(O)C)C)C)=C/C=CC=C(C=CC=C(C=CC2(/C(CC(O)CC(\C)=2)(C)C))C)C
CPD-11456	CC(\C=CC=C(C=CC1(/C(\C)=C(C)/C(\C)=C/C=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(C)(C)CCCC(\C)=2))C)C
CPD-11457	CC(\C=CC=C(C=CC1(/C(\C)=C(C)/C(\C)=C/C=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(\C)=C(C)/C(\C)=C/C=2))C)C
CPD-11459	CC(\C=CC=C(C=CC1(/C(\C)=C(C)/C(\C)=C/C=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(\C)=C(C)/C(\CO)=C/C=2))C)C
CPD-11460	CC(\C=CC=C(C=CC1(C=CC(\C)=C(C)/C(C)=1))C)=C/C=CC=C(C=CC=C(C=CC2(C=CC(\C([O-])=O)=C(C)/C(C)=2))C)C
CPD-11461	CC(\C=CC=C(C=CC1(C=CC(\CO)=C(C)/C(C)=1))C)=C/C=CC=C(C=CC=C(C=CC2(C=CC(\C([O-])=O)=C(C)/C(C)=2))C)C
CPD-11463	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(CCC=C(CCCC(O)(C)C)C)C)C
CPD-11464	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(CCC=C(C=CCC(O)(C)C)C)C)C
CPD-11465	CC(C)=CCCC(/C)=C/CCC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(O)(C)C)C)C)C
CPD-11466	CC(C)=CCCC(/C)=C/CCC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(C)C=CC(=O)C(OC)(C)C)C)C
CPD-11468	CC(C)=CCCC(/C)=C/CCC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C
CPD-11469	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(CCC=C(CCCC(OC)(C)C)C)C)C
CPD-11470	CC(\C=CC=C(C=CC1(/C(C)(C)C[C@@H](CC(\C)=1)O))C)=C/C=CC=C(C=CC=C(C=CC2(/C(C)(C)C[C@@H](CC(\C)=2)O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3)))C)C
CPD-11471	CC(\C=CC=C(C=CC1(/C(C)(C)C[C@@H](CC(\C)=1)O[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2)))C)=C/C=CC=C(C=CC=C(C=CC3(/C(C)(C)C[C@@H](CC(\C)=3)O[C@@H]4(O[C@@H](CO)[C@H](O)[C@@H](O)[C@H](O)4)))C)C
CPD-11477	C([N+]CCCCNC(=O)CC(C(=O)[O-])(O)CC(=O)[O-])CCNC(C1(/C=CC(/O)=C(C=1)/O))=O
CPD-11479	C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)[O-])CC[N+]
CPD-11480	C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCC[N+])CC[N+]
CPD-11481	C([N+]CCCCNC(=O)CC(C([O-])=O)(O)CC(=O)NCCCC[N+]CCCNC(C1(/C=CC(/O)=C(C=1)/O))=O)CC[N+]
CPD-11520	CCC=CC[C@@H]1([C@H](CCC(=O)1)CCCCCC(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O)
CPD-11521	CCC=CC[C@@H]1([C@H](CCC(=O)1)CCCCCC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O)
CPD-11524	CCC=CC[C@@H]1([C@H](CCC(=O)1)CCCC(=O)CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O)
CPD-11525	CCC=CC[C@@H]1([C@H](CCC(=O)1)CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])
CPD-11528	CCC=CC[C@@H]1([C@H](CCC(=O)1)CC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])
CPD-11529	CCC=CC[C@H]1(C(=O)CC[C@@H]1CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O)
CPD-11533	CC5(C)([C@H]4(CC[C@]3(C)([C@H](CC[C@@H]2([C@@](C)(CC[C@H]1([C@](C)(CC[C@H](O)C(C)(C)1)2))3))[C@](C)4CCC5)))
CPD-11569	C1(/C=C(C=C(C=1)C(CC(C(=O)[O-])[N+])=O)[N+](=O)[O-])
CPD-11571	C(CNO)C[C@H]([N+])C([O-])=O
CPD-11572	[CH](=O)C1(/OC(\CO)=C/C=1)
CPD-11573	C(O)C1(/OC(\CO)=C/C=1)
CPD-11592	CC(C)=CCNC2(C3(N=CN([C@H]1(O[C@H](COP(=O)([O-])O[a tRNA])[C@@H](OP([O-])(=O)O[a tRNA])[C@@H](O)1))C(N=C(SC)N=2)=3))
CPD-11607	C[C@H]2(O[C@@H](O)[C@H](O)[C@H](O)[C@@H](O[C@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1))2)
CPD-1162	C(OP(=O)([O-])[O-])[C@@H]2(O[C@@H](OC1(/C=CC(\O)=C/C=1))[C@H](O)[C@@H](O)[C@H](O)2)
CPD-11621	C(=O)(N)C1([N+]CCC1)
CPD-11622	C1([N+][C@@H](C([O-])=O)CNC1)
CPD-11625	C1(N[C@@H](C(N)=O)C[N+]C1)
CPD-11653	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]4([C@H]([C@H](OC[C@@H]1(O[C@H](OP([O-])([O-])=O)[C@H](NC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@H](O)1))O[C@H](CO[C@]3(C([O-])=O)(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O[C@@]2(C([O-])=O)(O[C@H]([C@@H](CO)OP([O-])(=O)OCC[N+])[C@H](O)[C@H](O)C2))C3))[C@H]4OP([O-])([O-])=O)NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
CPD-11678	C=CC3(/C7(/N2([Fe+++]45(Cl)(.N1(C(\C(\CCC(=O)[O-])=C(C)/C=1C=C2C(\C)=3)=C/C8(/N4C(\C=C6(N.5=C(C(\C)=C(C=C)/6)C=7))=C(C)/C(\CCC(=O)[O-])=8))))))
CPD-11729	C(O)P([O-])(O)=O
CPD-11735	C(=O)([O-])P([O-])(O)=O
CPD-11736	[CH](=O)P([O-])(=O)[O-]
CPD-11737	C([C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))OP([O-])(=O)OP([O-])(=O)C(=O)[O-]
CPD-11738	C(O)C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]
CPD-11740	C(P(C([O-])=O)([O-])=O)C(=O)C(=O)[O-]
CPD-11742	C([O-])(=O)CC(O)(C([O-])=O)C[PH]([O-])=O
CPD-11744	C([O-])(=O)C(C(O)C([O-])=O)C[PH]([O-])=O
CPD-11746	CC(=O)N[C@H](C([O-])=O)CC[PH](=O)[O-]
CPD-11747	C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])NC(=O)[C@H](CC[PH](=O)[O-])NC(C)=O
CPD-11748	C[C@@H](C(=O)N[C@@H](C)C(=O)[O-])NC(=O)[C@H](CCP([O-])(C)=O)NC(C)=O
CPD-11749	CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCP([O-])(=O)C)[N+]
CPD-11751	C1(/NC2(\C(\Cl)=C/C=CC(/C(\C[C@H]([N+])C(=O)[O-])=1)=2))
CPD-11754	C4(NC5(\C(\Cl)=C/C=CC(/C(C3(C(C1(C2(\C=CC=C(Cl)C(/NC=1)=2)))=C(C([O-])=O)NC(C([O-])=O)=3))=4)=5))
CPD-11755	C1(/C=C(Cl)C2(/NC3(C5(NC6(\C(\Cl)=C/C=CC(/C(C4(/C(=O)NC(=O)C(\C(C(\C=1)=2)=3)=4))=5)=6)))))
CPD-11756	C1(/C=C(C2(/NC3(C5(N(C6(\C(\Cl)=C/C=CC(/C(C4(/C(NC(C(\C(C(\C=1)=2)=3)=4)=O)=O))=5)=6))[C@@H]7([C@@H]([C@H]([C@@H]([C@@H](CO)O7)O)O)O)))))Cl)
CPD-11770	C1(NC2(\N=C(N)NC(=O)C(\N=C1[C@H](O)[C@@H](O)CO)=2))
CPD-11786	C4(NC5(\C=CC=CC(/C(C3(C(C1(C2(\C=CC=CC(/NC=1)=2)))=C(C([O-])=O)NC(C([O-])=O)=3))=4)=5))
CPD-11789	C1(/C=CC2(/NC3(C5(NC6(\C=CC=CC(/C(C4(/C(=O)NCC(\C(C(\C=1)=2)=3)=4))=5)=6)))))
CPD-11791	C1(CC2(/C6(\C(/NC(\C=C(O)1)=2)=C3(C(/C4(/C(=N3)C(=O)CC(=O)C=4))=C5(C(\C(=O)N=C5)=6)))))
CPD-11792	C(O)[C@H]1([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)C2(CC3(/C7(\C(/NC(\C=C(O)2)=3)=C4(C(/C5(/C(=N4)C(=O)CC(=O)C=5))=C6(C(\C(=O)N=C6)=7))))))
CPD-1181	C2(/C=CC(/O[C@H]1(O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)1))=C(C=2)/CO)
CPD-11853	C(=O)([O-])C1(\C=C(C=C(OC)C(/O)=1)C(=O)[O-])
CPD-11859	COC1(\C=C(C(=O)[O-])C=C(C(/O)=1)C2(/C(/O)=C(C=C(C(=O)[O-])C=2)/OC))
CPD-11860	COC2(\C=C(C(=O)[O-])C=C(C1(/C(/O)=C(C=C(C(=O)[O-])C=1)/O))C(/O)=2)
CPD-11861	COC1(\C=C(C(=O)[O-])C=C(C(=O)C=C(C(=O)[O-])C=C(C(=O)[O-])O)C(/O)=1)
CPD-11863	C=C(C([O-])=O)C=C(O)C(=O)[O-]
CPD-11866	COC1(\C=C(C(=O)[C@@H](SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O)CO)C=CC(/O)=1)
CPD-11867	COC2(/C(\O[C@H](CO)[C@@H](O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11868	COC2(/C(\O[C@@H](CO)[C@H](O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11869	COC2(/C(\O[C@H](CO)[C@H](O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11870	COC2(/C(\O[C@@H](CO)[C@@H](O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11871	COC2(/C(\O[C@@H](CO)C(=O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11872	COC2(/C(\O[C@H](CO)C(=O)C1(/C=C(OC)C(\O)=C/C=1))=C/C=CC=2)
CPD-11873	COC1(/C(\O)=C/C=C(C(=O)CCO)C=1)
CPD-11876	COC1(\C=C([C@@H](O)C=O)C=CC(/O)=1)
CPD-11879	C(=O)([O-])[C@@H](C1(/C=C(O)C(\O)=C/C=1))O
CPD-11880	COC1(\C=C(C(=O)[C@H](SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O)CO)C=CC(/O)=1)
CPD-11881	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(/C=C(OC)C(\O)=C/C=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CPD-11890	C1(/NC2(\C=CC=CC(/C(\CC(=N)C(=O)[O-])=1)=2))
CPD-11905	C[C@]15(O[C@H](C[C@@H]([N+])[C@@H](O)1)N2(C8(\C=CC=CC(/C3(C7(/C(=O)NCC(\C4(C6(\C=CC=CC(/N(C(C2=3)=4)5)=6)))=7)))=8)))
CPD-11906	C[C@H]1(O[C@H](C[C@@H]([N+])[C@@H](O)1)N2(C7(\C=CC=CC(/C3(C6(/C(=O)NCC(\C4(C5(\C=CC=CC(/NC(C2=3)=4)=5)))=6)))=7)))
CPD-11909	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@@H](C)[C@H](O)[C@H]([N+])C2))O3))
CPD-11910	CC1(O)(O[C@H](C[C@@H]([N+])[C@@H](O)1)N2(C7(\C=CC=CC(/C3(C6(/C(=O)NCC(\C4(C5(\C=CC=CC(/NC(C2=3)=4)=5)))=6)))=7)))
CPD-11915	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@@H](C)[C@H](O)[C@@H](O)C2))O3))
CPD-11916	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@@H](O)[C@H](O)C2))O3))
CPD-11917	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COC[C@@H](COP(O[C@H]1([C@H](O)[C@H](OP([O-])(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)1))([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CPD-11919	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COC[C@@H](COP(OCC[N+])([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CPD-11920	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COC[C@@H](COP(OC[C@H](O)CO)([O-])=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CPD-11950	C([N+])CC[N+]CCCNC(=O)C1(/C(/O)=C(C=CC=1)/O)
CPD-11953	C([N+])CCCCNO
CPD-11955	C([N+])CCCCN(O)C(CCC([O-])=O)=O
CPD-11963	C(NO)CCC[N+]
CPD-11964	C([N+])CCCN(O)C(=O)CCC(=O)[O-]
CPD-11968	C1(N(O)C(=O)CCC(=O)NC[C@@H](O)CCN(O)C(=O)CCC(=O)NC[C@@H](O)C1)
CPD-11971	C([N+])[C@@H](O)CCN(O)C(=O)CCC(=O)[O-]
CPD-11972	C([N+])[C@@H](O)CCN(O)C(=O)CCC(=O)NC[C@@H](O)CCN(O)C(=O)CCC(=O)[O-]
CPD-11984	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)[O-]
CPD-11994	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)[O-]
CPD-11997	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]1([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O)[C@@H](CO)O1)
CPD-11998	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2)
CPD-11999	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]8(O[C@H](CO)[C@@H](O[C@@H]7(O[C@H](CO)[C@@H](O[C@@H]6(O[C@H](CO)[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])NC(=O)[C@H]([N+])CCC[C@@H](C(N[C@@H](C)C([O-])=O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]5([C@H](O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)2))[C@@H](CO)O[C@H](O[C@H]3([C@@H](CO)O[C@@H]([C@H](NC(=O)C)[C@@H](O)3)O[C@H]4([C@@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C([O-])=O)=O)C(=O)[O-])4)))[C@H](NC(C)=O)5))C(=O)[O-])C(N[C@@H](C)C([O-])=O)=O)C(=O)[O-])[C@@H](NC(C)=O)6))[C@H](O)[C@@H](NC(=O)C)7))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C([O-])=O)=O)C(=O)[O-])[C@@H](NC(C)=O)8)
CPD-12000	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]8(O[C@H](CO)[C@@H](O[C@@H]3(O[C@H](CO)[C@@H](O[C@@H]2(O[C@H](CO)[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C([O-])=O)=O)C(=O)[O-])[C@@H](NC(C)=O)2))[C@H](O)[C@@H](NC(=O)C)3))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C(N[C@@H](C([O-])=O)CCC[C@@H](C(N[C@@H](C)C([O-])=O)=O)NC(=O)CC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]7([C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)4))[C@@H](CO)O[C@H](O[C@H]5([C@@H](CO)O[C@@H]([C@H](NC(=O)C)[C@@H](O)5)O[C@H]6([C@@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C([O-])=O)=O)C(=O)[O-])6)))[C@H](NC(C)=O)7))C(=O)[O-])=O)=O)C(=O)[O-])[C@@H](NC(C)=O)8)
CPD-12004	C[C@@H]([C@@H](C)O)O
CPD-12024	C[Se]C[C@H]([N+])C([O-])=O
CPD-12028	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]2(O[C@H](CO)[C@@H](O[C@H]1(O[C@@H](C)[C@H](O)[C@@H](O)[C@@H](O)1))[C@H](O)[C@@H](NC(C)=O)2)
CPD-12029	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]3(O[C@H](CO)[C@@H](O[C@H]2(O[C@@H](C)[C@H](O[C@@H]1([C@H](O)[C@@H](O)C([C@H](O)CO)O1))[C@@H](O)[C@@H](O)2))[C@H](O)[C@@H](NC(C)=O)3)
CPD-12030	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@H]4(O[C@H](CO)[C@@H](O[C@H]3(O[C@@H](C)[C@H](O[C@@H]2([C@H](O)[C@@H](O)C([C@H](O[C@@H]1([C@H](O)[C@@H](O)C([C@H](O)CO)O1))CO)O2))[C@@H](O)[C@@H](O)3))[C@H](O)[C@@H](NC(C)=O)4)
CPD-12039	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])O[C@H]1(O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)1)
CPD-12040	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)O[C@H]1(O[C@H](CO)[C@@H](O)[C@@H](O)1)
CPD-12041	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)O[C@H]1(O[C@H](CO)[C@@H](O)C(=O)1)
CPD-12045	C(O)[C@@H]1([C@H](O)[C@@H](O)[C@H](O)O1)
CPD-12046	C(O)[C@@H]1([C@H](O)[C@@H](O)[C@@H](O)O1)
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CPD-122	C(=O)([C@H](C1(/C=CC=CC=1))O)[O-]
CPD-12230	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]8([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@H](O[C@H]7(O[C@H](CO)[C@@H](O[C@H]6([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(NCC(=O)NCC(NCC(=O)NCC(NCC(=O)NCCCC[C@@H](C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)NC(=O)CC[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C)O[C@@H]4([C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O[C@H](O[C@@H]3([C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2([C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@@H](NC(=O)C)[C@H](O[C@H](CO)2)OP([O-])(=O)OP([O-])(=O)OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C))O[C@H](CO)3))[C@H](NC(=O)C)4))C)C(=O)N)=O)=O)=O)=O)C(=O)N)[C@H](O[C@H]5(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)5))[C@@H](CO)O6))[C@H](O)[C@@H](NC(=O)C)7))[C@@H](CO)O8)
CPD-12231	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]4([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]3(O[C@H](CO)[C@@H](O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O4))([O-])=O
CPD-12242	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](CO)[C@@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(C[N+])=O)C(N[C@H](C)C(N[C@@H](C([O-])=O)C)=O)=O)C(=O)N)[C@@H](NC(C)=O)2)
CPD-12245	CC(C)C[C@H](C(NC8(C(N[C@@H](CC(N)=O)C(NC4(C(N[C@@H]2(C(NC(C(NC(C(=O)[O-])C3(/C(C1(/C(\O)=C/C=C(C=1)2))=C(C=C(C=3)O)O))=O)[C@@H](C%10(/C=CC(/OC7(\C=C4C=C(C(/O[C@@H]5([C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O[C@@H]6(C[C@@](C)([C@@H]([C@H](C)O6)O)[N+])))=7)OC9(\C=CC(\[C@H]8O)=C/C(/Cl)=9)))=C(C=%10)/Cl))O)=O))=O))=O)=O))=O)[N+]C
CPD-12259	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]4([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@H](O[C@H]3(O[C@H](CO)[C@@H](O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O4)
CPD-12260	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]4(O[C@H](CO)[C@@H](O[C@@H]3(O[C@H](CO)[C@@H](O[C@@H]2(O[C@H](CO)[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C(N[C@@H](C([O-])=O)C)=O)=O)C(=O)[O-])[C@@H](NC(C)=O)2))[C@H](O)[C@@H](NC(=O)C)3))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@H](C(=O)[O-])[N+])C(N[C@@H](C)C(N[C@@H](C([O-])=O)C)=O)=O)C(=O)[O-])[C@@H](NC(C)=O)4)
CPD-12261	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]8([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]7(O[C@H](CO)[C@@H](O[C@H]6([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@@H](C(=O)[O-])CCC[C@@H](C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]4([C@H](O[C@H]3(O[C@H](CO)[C@@H](O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O[C@@H]([C@H](NC(=O)C)4)OP(OP(OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C)([O-])=O)([O-])=O))=O)[C@H](O[C@H]5(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)5))[C@@H](CO)O6))[C@H](O)[C@@H](NC(=O)C)7))[C@@H](CO)O8))([O-])=O
CPD-12266	C(O)C([N+])COP(=O)([O-])[O-]
CPD-12269	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](CO)[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC([C@@H](NC([C@@H]([N+])C)=O)C)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@@H](NC(C)=O)2)
CPD-12271	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N)CCC(=O)N[C@@H](CCCCNC([C@H](C)[N+])=O)C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
CPD-12278	C(/C(=O)NC=O)=C/C(=O)[O-]
CPD-12279	C(=O)([O-])C=N
CPD-12281	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]5(O[C@H](CO[C@@]4(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]3(O[C@H]([C@@H](CO[C@@]2(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2)C(=O)[O-])O)[C@H](O)[C@H](O)C3)C(=O)[O-])C4))[C@H]([C@@H]([C@H]5NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
CPD-12284	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]5(O[C@H](CO[C@@]4(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]3(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O[C@@]2(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2)C(=O)[O-])C3)C(=O)[O-])C4))[C@H]([C@@H]([C@H]5NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
CPD-12285	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]6(O[C@H](CO[C@@]5(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]4(O[C@H]([C@@H](CO[C@@]2(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2)C(=O)[O-])O)[C@H](O)[C@H](O[C@@]3(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C3)C(=O)[O-])C4)C(=O)[O-])C5))[C@H]([C@@H]([C@H]6NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
CPD-12286	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]3(O[C@H](CO[C@@]2(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](OP([O-])(=O)[O-])C2))[C@H]([C@@H]([C@H]3NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
CPD-12294	CN1(C(=NC(C([N-]1)=O)=O)SCC2(CS[C@H]3([C@@H](C(N(C(C(=O)[O-])=2)3)=O)NC(C(C4(/N=C(N)SC=4))=NOC)=O)))
CPD-12295	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N)CCC(=O)N[C@@H](CCCCNC(C[C@@H]([N+])C(N)=O)=O)C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
CPD-12297	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](CO)[C@@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCNC(CNC(CNC(CNC(CNC(C[N+])=O)=O)=O)=O)=O)C(N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)=O)C(=O)N)[C@@H](NC(C)=O)2)
CPD-12298	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)(OP(=O)([O-])O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N)CCC(=O)N[C@@H](CCCC[N+])C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))[O-]
CPD-12302	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)N)CCC(=O)N[C@@H](CCCCNC(C[C@@H]([N+])C([O-])=O)=O)C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
CPD-12310	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]4([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)NC(C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C[C@@H]([N+])C(N)=O)C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@H](O[C@H]3(O[C@H](CO)[C@@H](O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)NC(C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C[C@@H]([N+])C(N)=O)C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O4)
CPD-12311	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)O[C@H]8([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)NC(C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C[C@@H]([N+])C(N)=O)C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@H](O[C@H]7(O[C@H](CO)[C@@H](O[C@H]6([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)NC(C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C[C@@H]([N+])C(NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(=O)C[C@@H]([N+])C(N)=O)NC(=O)CC[C@@H](NC(=O)C(NC(=O)[C@@H](C)O[C@@H]4([C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O[C@H](O[C@@H]3([C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2([C@H](O[C@H](C)C(=O)NC(C)C(=O)N[C@H](CCC(=O)N[C@H](CCCCNC(=O)C[C@@H]([N+])C(N)=O)C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@@H](NC(=O)C)[C@H](O[C@H](CO)2)OP([O-])(=O)OP([O-])(=O)OCC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C)C)C)C))O[C@H](CO)3))[C@H](NC(=O)C)4))C)C(=O)N)=O)C(N[C@@H](C)C(=O)N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@H](O[C@H]5(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)5))[C@@H](CO)O6))[C@H](O)[C@@H](NC(=O)C)7))[C@@H](CO)O8)
CPD-12313	CC(=O)N(O)CCCNC(=O)CC(O)(C([O-])=O)CC(NCCCN(O)C(=O)C)=O
CPD-12321	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/C=CC=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C
CPD-12334	C(OP([O-])([O-])=O)[C@@H](O)[C@H]1([C@@H](O)[C@H](O)[C@H](O)[C@@H](OP([O-])(=O)[O-])O1)
CPD-12335	C([C@H]([C@@H]1(O[C@@H]([C@H]([C@H]([C@@H]1O)O)O)OP([O-])(=O)[O-]))O)O
CPD-12336	C(O)[C@@H](O)[C@H]4([C@@H](O)[C@H](O)[C@H](O)[C@@H](OP([O-])(=O)OP([O-])(=O)OC[C@H]1([C@@H](O)[C@@H](O)[C@@H](O1)N2(C=NC3(C(=O)NC(N)=NC2=3))))O4)
CPD-12349	C(O)[C@H](O)[C@@H](O)CC(=O)C(=O)[O-]
CPD-12365	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H](C[C@H](O)1)N2(C(=O)NC3(C(=O)NC(N)=NC2=3)))
CPD-12366	C(OP(=O)([O-])OP(=O)(OP([O-])([O-])=O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C(=O)NC3(C(=O)NC(N)=NC2=3)))
CPD-12367	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C(=O)NC3(C(=O)NC(N)=NC2=3)))
CPD-124	C[N+]CCCC(=O)[O-]
CPD-12427	C12(NC(=O)NC(/C(=O)NC(N)=N1)=2)
CPD-12430	CC(CCNC(N)=[N+])C(C(=O)[O-])=O
CPD-12435	C(=O)([O-])[C@H]1([C@H](O)[C@H](O)[C@@H](O)[C@H](O1)O[C@H]2([C@H](O)[C@@H](O)[C@@H](O)O[C@H](C(=O)[O-])2))
CPD-12451	C[C@H](CCC(=O)[O-])[C@@H]2(CC[C@@H]3([C@H]4([C@H](O)C[C@H]1(C[C@@H](O)CC[C@@](C)1[C@@H](C[C@H](O)[C@](C)23)4))))
CPD-12452	C[C@H](CCC(=O)[O-])[C@@H]2(CC[C@@H]3([C@H]4([C@H](O)C[C@H]1(CC(=O)CC[C@@](C)1[C@@H](C[C@H](O)[C@](C)23)4))))
CPD-12460	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])(=O)[O-]
CPD-12461	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)OP([O-])([O-])=O
CPD-12480	CN1(C(=O)NC2(\N(C)C(=O)N(C)C(=O)C\1=2))
CPD-125	C1(CC[C@H]([N+](C)1)C2(/C=NC(\O)=C/C=2))
CPD-12563	CC(=O)N[C@@H]2(C(O)O[C@H](CO)[C@H](OS(=O)(=O)[O-])[C@H](O[C@H]1(OC(\C([O-])=O)=C/[C@H](O)[C@@H](O)1))2)
CPD-12565	CC(=O)N[C@@H]1(C(O)O[C@H](COS(=O)(=O)[O-])[C@H](O)[C@H](O)1)
CPD-12575	C(O)[C@H]1([C@@H](O)[C@H](O)[C@@H](O)[C@H](O1)OP(OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)
CPD-12576	C(OC(CC(O)(C(=O)[O-])CC(=O)[O-])=O)[C@H]([N+])C(=O)[O-]
CPD-12578	C([N+])COC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C(=O)[O-])[N+]
CPD-12579	C(OC(=O)CC(O)(C([O-])=O)CC(=O)NCCC(C([O-])=O)N1(C(=O)CCC(C(=O)[O-])(O)1))C[N+]
CPD-12580	C(OC(=O)CC(O)(C(=O)[O-])CC(=O)NCCC(C([O-])=O)[N+])CN1(C(C([O-])=O)(O)CCC(=O)1)
CPD-12585	CC(C)=CCCC(/C)=C/CCC(/C)=C/C(=O)[O-]
CPD-12587	CC(C)=CCCC(/C)=C/CCC(/C)=C/COP([O-])([O-])=O
CPD-12589	C(=O)(NCCC[C@@H](NC(=O)CC(O)(C(=O)[O-])CC(=O)[O-])C(=O)[O-])CC(O)(C([O-])=O)CC(=O)[O-]
CPD-12590	C(NC(=O)CCC(=O)C(=O)[O-])CNC(=O)CC(O)(C([O-])=O)CC(=O)NC[C@H]([N+])C(=O)[O-]
CPD-12609	C3(/C([C@H]1(C(C2(/C(\OC1)=C/C(\O)=C/C=2))=O))=CC=C(C=3)O)
CPD-12610	[Mn](=O)=O
CPD-12611	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)C
CPD-12612	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C
CPD-12613	CC(\C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C
CPD-12614	CC(\C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C
CPD-12615	CC(\C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)C
CPD-12616	CC(\C=CC=C(C=CC=C(C=CCC(OC)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)C
CPD-12617	CC(\C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC=C(C=CC(=O)C(OC)(C)C)C)C)C
CPD-12626	CC(\C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(CCC=C(CCCC(O)(C)C)C)C)C
CPD-12645	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CS(=O)(=O)[O-])COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-12670	C(O)C(CO)OP([O-])(=O)OP(OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O
CPD-12671	C(Cl)[C@@H](O)[C@@H](O)[C@@H](O)C=O
CPD-12672	C(Cl)C1([C@@H](O)[C@@H](O)C(=O)O1)
CPD-12673	C(=O)([O-])[C@H](O)[C@H](O)[C@H](O)CCl
CPD-12675	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(C(=O)[O-])CCCl)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-12676	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))Cl
CPD-12677	C(Cl)[C@H]1([C@@H](O)[C@@H](O)C(OP([O-])(=O)[O-])O1)
CPD-12679	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCl)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-12680	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CCCl)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-12692	C(S(=O)(=O)[O-])[C@H](O)CO
CPD-12693	C(S(=O)(=O)[O-])[C@@H](O)CO
CPD-12694	C(S(=O)(=O)[O-])C(=O)CO
CPD-12695	C(=O)([O-])C1(/C(\N)=C/C=C([N+](=O)[O-])C=1)
CPD-12696	C(C1(\C=C([N+](=O)[O-])C=CC(/O)=1))([O-])=O
CPD-12703	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1(\C=C(O)C=CC(/O)=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CPD-12706	C([C@@H]1(O[C@H](OP([O-])(=O)[O-])[C@H](O)[C@@H]1O))F
CPD-12707	C(OP([O-])(=O)[O-])C(=O)[C@H](O)[C@H](O)CF
CPD-12738	C([O-])(=O)[C@H](O)[C@@H]([N+])C([O-])=O
CPD-12760	CC(C)(COP([O-])(=O)[O-])[C@H](C([O-])=O)O
CPD-12762	CC(\C=CC=C(C=O)C)=C/C=O
CPD-12768	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](CO)[C@@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))[C@H](O)[C@@H](O)2))C)C)C)C)C)C)C
CPD-12769	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]3(O[C@H](CO)[C@@H](O[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)1))[C@@H](O)2))[C@H](O)[C@@H](O)3))C)C)C)C)C)C)C
CPD-12771	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]4(O[C@H](CO)[C@@H](O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@H]1(O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)1))2))[C@@H](O)3))[C@H](O)[C@@H](O)4))C)C)C)C)C)C)C
CPD-12772	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]5(O[C@H](CO)[C@@H](O[C@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@H]2(O[C@H](C([O-])=O)[C@@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)1))[C@H](O)[C@@H](O)2))3))[C@@H](O)4))[C@H](O)[C@@H](O)5))C)C)C)C)C)C)C
CPD-12773	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))C)C)C)C)C)C)C
CPD-12774	C2(\NC=CC(\C1(/C(/N)=C(C=CC=1)/Cl))=2)
CPD-12775	C2(/NC=C(Cl)C(\C1(/C(/N)=C(C=CC=1)/Cl))=2)
CPD-12777	CCCCCCC[C@H](CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(N=CN=C(N)C(N=C2)=3))))[O-])[O-])=O)O
CPD-12781	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]5(O[C@H](CO)[C@@H](O[C@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@H]2(O[C@H](C([O-])=O)[C@@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)1))[C@H](O)[C@@H](O)2))3))[C@@H](O)4))[C@H](O)[C@@H](O)5))C)C)C)C)C)C)C
CPD-12782	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]5(O[C@H](CO)[C@@H](O[C@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@H]2(O[C@H](C([O-])=O)[C@@H](O[C@H]1(O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H](O)1))[C@H](O)[C@@H](O)2))3))[C@@H](O)4))[C@H](O)[C@@H](O)5))C)C)C)C)C)C)C
CPD-12783	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]6(O[C@H](CO)[C@@H](O[C@H]5(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4(O[C@H](COC(=O)C)[C@@H](O)[C@H](O)[C@H](O[C@H]3(O[C@H](C([O-])=O)[C@@H](O[C@H]1(O[C@H]2(COC(C)(C(=O)[O-])O[C@@H]([C@H](O)[C@H](O)1)2)))[C@H](O)[C@@H](O)3))4))[C@@H](O)5))[C@H](O)[C@@H](O)6))C)C)C)C)C)C)C
CPD-12784	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]5(O[C@H](CO)[C@@H](O[C@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@H]2(O[C@H](C([O-])=O)[C@@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))[C@H](O)[C@@H](O)2))3))[C@@H](O)4))[C@H](O)[C@@H](O)5))C)C)C)C)C)C)C
CPD-12785	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]6(O[C@H](CO)[C@@H](O[C@H]5(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@H]3(O[C@H](C([O-])=O)[C@@H](O[C@@H]2(O[C@H](CO[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))[C@@H](O)[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3))4))[C@@H](O)5))[C@H](O)[C@@H](O)6))C)C)C)C)C)C)C
CPD-12792	C6(Cl)(=NC(NC1(/C=C(S([O-])(=O)=O)C=CC=1))=NC(NC5(/C(\S([O-])(=O)=O)=C/C=C(NC2(/C3(/C(O)C4(\C=CC=CC(/C(O)C(\C(/N)=C(C=2)/S([O-])(=O)=O)=3)=4))))C=5))=N6)
CPD-12797	COC1(\C=CC=C(OC)C(/O)=1)
CPD-12811	C([C@H]([C@@H]([C@@H]([C@@H](CO)O)O)O)O)O
CPD-12825	C([C@H]([C@@H](CO)O)O)O
CPD-12829	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(/C(\O)=C(C)/C(/C)=C(C=1)/O)
CPD-12830	CC(CCC[C@H](CCC[C@@H](C)CCCC(/C)=C/CC1(\C=C(O)C2(\C=CC=CC(/C(\O)=1)=2)))C)C
CPD-12831	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/CC1(\C(/C)=C(C2(\C=CC=CC(/C(\O)=1)=2))/O)
CPD-12847	C[N+]1(C3(\C=CC=C(O)C(/N=C2(C=1C=CC=C2))=3))
CPD-12849	C(\C(\C(=O)[O-])=C/C(=O)[O-])=C(C(=O)[O-])/O
CPD-12855	C1(N)(C=CN(C(=O)N=1)[C@H]2(O[C@@H]([C@@H](O)[C@@H](O)2)COP([O-])(=O)OP(O[C@H]3([C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)3))([O-])=O))
CPD-12856	[C@@H]2(O)([C@H](O)[C@H](O)[C@H](OP([O-])(O[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)[C@@H](O)1))=O)[C@@H](O)[C@H](O)2)
CPD-12869	C[N+]1(=C3(C=CC=C(C(=NC2(\C=CC=CC/1=2))3)C(=O)[O-]))
CPD-12896	CC(C)=CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-12934	CC[C@H](C)[C@@H]1(C(=O)O[C@H]3(N1C5(/C(=O)C6(\C(\O[C@@H]2(C[C@@H](O)[C@@H](O)[C@H](C)O2))=C/C=CC(/C(=O)C(/C4(C\3=C/C(\C)=C/C(O)=4))=5)=6))))
CPD-12938	CC[C@H](C)[C@@H]1(C(=O)O[C@H]2(N1C4(/C(=O)C5(\C(\O)=C/C=CC(/C(=O)C(/C3(C\2=C/C(\C)=C/C(O)=3))=4)=5))))
CPD-12949	C[C@@]1(O)(C[C@]2(O)([C@H](C(=O)C1)C3(/C(/C(=O)C2)=C(C4(C(\O)=C/C=CC(C=3)=4))/O)))
CPD-12950	CC1(/C[C@]2(O)([C@H](C(=O)C=1)C3(/C(/C(=O)C2)=C(C4(C(\O)=C/C=CC(C=3)=4))/O)))
CPD-12951	CC1(/C=C(O)C2(C3(C(/C(\O)=C/C(C=1)=2)=C(C4(C(\O)=C/C=CC(C(O)=3)=4))/O)))
CPD-12952	CC1(/C=C(O)C4(\C(\C=1)=C/C(/O)=C2(C(/C(=O)C3(\C=CC=C(O)C(/C(=O)2)=3))=4)))
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CPD-14214	C[C@]3(O)(CO[C@H](O[C@H]2([C@@H](O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]([N+])1))[C@@H]([N+])C[C@@H]([N+])2))[C@H](O)[C@@H]([N+]C)3)
CPD-1422	CC1(/C=CC(\C)=C/C=1)
CPD-14220	C=CCCCCCCCCCCCCCCCCC
CPD-14223	C=CCCCCCCCCCCCCCCC
CPD-14229	C=CCCCCCCCCCCCCCCCC
CPD-14238	CCC=CCC=CCC=CCC=CCC=CCCC=CCC=CCC=CCC=CCC
CPD-14239	CCC=CCC=CCC=CCC=CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-14241	CCC=CCC=CCC=CCC=CCCC(=O)[C@@H](CC=CCC=CCC=CCC=CCC)C(=O)[O-]
CPD-14248	C[C@H]3([C@H]([C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)NC(C)=O)
CPD-14254	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]1(O[C@H](C)[C@@H](NC(=O)C)[C@H](O)[C@@H](NC(=O)C)1))([O-])=O
CPD-14256	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@H]1([C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O1))[C@@H](NC(=O)C)2))([O-])=O
CPD-14257	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]3(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@H]2([C@H](NC(C)=O)[C@@H](O)[C@@H](O[C@@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](NC(C)=O)1))[C@@H](CO)O2))[C@@H](NC(=O)C)3))([O-])=O
CPD-14258	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]6(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@H]5([C@H](NC(C)=O)[C@@H](O)[C@@H](O[C@@H]4(O[C@H](CO)[C@H](O[C@H]3(O[C@H](CO)[C@H](O[C@@H]2(O[C@H](CO)[C@H](O[C@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](NC(C)=O)1))[C@H](O)[C@@H](NC(C)=O)2))[C@H](O)[C@@H](NC(C)=O)3))[C@H](O)[C@@H](NC(C)=O)4))[C@@H](CO)O5))[C@@H](NC(=O)C)6))([O-])=O
CPD-14259	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]7(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@H]6([C@H](NC(C)=O)[C@@H](O)[C@@H](O[C@@H]5(O[C@H](CO)[C@H](O[C@H]4(O[C@H](CO)[C@H](O[C@@H]2(O[C@H](CO)[C@H](O[C@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](NC(C)=O)1))[C@H](O)[C@@H](NC(C)=O)2))[C@H](O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))[C@@H](NC(C)=O)4))[C@H](O)[C@@H](NC(C)=O)5))[C@@H](CO)O6))[C@@H](NC(=O)C)7))([O-])=O
CPD-14270	CCCCCCCCCCCCCCCCCCCC(OCCCCCCCCCCCC)=O
CPD-14295	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1))[C@@H](NC(=O)C)2))([O-])=O
CPD-14296	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]3(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@@H]2(O[C@H](CO)[C@H](O[C@@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1))[C@H](O)[C@@H](O)2))[C@@H](NC(=O)C)3))([O-])=O
CPD-14297	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@@H](NC(=O)C)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))[C@@H](NC(=O)C)2))([O-])=O
CPD-14298	C([O-])(=O)C(C=CCC(C1(/C=CC=CC=1))=O)=O
CPD-143	C(O[N+](=O)[O-])C(O[N+]([O-])=O)CO[N+](=O)[O-]
CPD-14319	C4(NC5(/C(\C(C1(/C=C(NC(/C([O-])=O)=1)C2(/C3(\C=C(O)C=CC(/NC=2)=3))))=4)=C/C=CC=5))
CPD-14320	C4(NC5(/C(\C(C1(/C=C(NC(/C([O-])=O)=1)C2(/C3(\C=CC=CC(/NC=2)=3))))=4)=C/C=CC=5))
CPD-14323	C4(O)(NC5(/C(\C(C1(/C=C(NC(/C([O-])=O)=1)C2(/C3(\C=CC=CC(/NC=2)=3))))=4)=C/C=CC=5))
CPD-14324	C4(O)(NC5(/C(\C(C1(/C=C(NC(/C([O-])=O)=1)C2(/C3(\C=C(O)C=CC(/NC=2)=3))))=4)=C/C=CC=5))
CPD-14332	CC(C)=CCOP(=O)([O-])[O-]
CPD-14348	CC(=O)C4(C(=O)[C@]6(O[C@@H]3(C[C@@H](O[C@@H]2(C[C@@H](O[C@@H]1(C[C@@](O)(C)[C@H](O)[C@@H](C)O1))[C@@H](O)[C@@H](C)O2))[C@H](O)[C@@H](C)O3))([C@H]([C@H](OC)C(O)=4)CC7(\C=C5(C(/C(\O)=C/C(\O)=C/5)=C(C(\C(=O)6)=7)/O))))
CPD-14349	CC1(\C(\O)=C/C6(/C(/C(\O)=1)=C(C7(\C(=O)[C@]5(O[C@@H]4(C[C@@H](O[C@@H]3(C[C@@H](O[C@@H]2(C[C@@](O)(C)[C@H](O)[C@@H](C)O2))[C@@H](O)[C@@H](C)O3))[C@H](O)[C@@H](C)O4))(C(C(C(=O)C)=C(O)[C@@H](OC)[C@@H]5CC(\C=6)=7)=O)))/O))
CPD-14353	CC1(\C2(C(\C=C(C(\C(=O)[O-])=1)O)=C/C3(/C(/C(O)=2)=C(C4(\C(\C=3)=C/C(\O)=C/C(/O)=4))/O)))
CPD-14355	CC3(\C(\O[C@H]2(O[C@H](C)[C@@H](O)[C@H](O[C@H]1(O[C@H](C)[C@@H](O)[C@H](O)C1))C2))=C/C7(/C(/C(\O)=3)=C(C8(\C(=O)[C@@H](O[C@H]6(O[C@H](C)[C@@H](O)[C@H](O[C@H]5(O[C@H](C)[C@H](O)[C@H](O[C@H]4(O[C@H](C)[C@@H](O)[C@](O)(C)C4))C5))C6))[C@H]([C@H](OC)C(=O)[C@@H](O)C(=O)C)CC(\C=7)=8))/O))
CPD-14359	CC(=O)C1(C(=O)C3(\C(\[C@@H](C([O-])=1)O)=C/C4(C=C2(C(/C(\O)=C/C(\O)=C/2)=C(C(C(/O)=3)=4)/O))))
CPD-14360	CC(=O)C1(C(=O)[C@]4(O)([C@H]([C@@H](C(O)=1)O)C=C3(C(/C(/O)=C2(C(\C=C(O)C=C(O)2)=C/3))=C4/O)))
CPD-144	C(O[N+](=O)[O-])[C@@H](O[N+](=O)[O-])CO
CPD-14415	C(NC(=[N+])N)CC[C@@H](C([O-])=O)NC(C[C@@H](C([O-])=O)[N+])=O
CPD-14436	CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(N)=O
CPD-14437	CC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C([O-])=O
CPD-14445	CC1(\C=C(CSC(=[N+])NC(=[N+])N)C(\C)=C/C(\CSC(NC(=[N+])N)=[N+])=1)
CPD-14447	C=CC=C(C([O-])=O)O
CPD-14463	C([N+]CC(=O)[O-])C1(\C=C(C([O-])=O)C=CC(/O)=1)
CPD-145	C(O[N+](=O)[O-])C(O)CO[N+](=O)[O-]
CPD-14517	CC5(CC(C)(C)[C@H]4(CC[C@]3(C)([C@H](CC[C@@H]2([C@@](C)(CC[C@H]1([C@](C)(CC[C@H](O)C(C)(C)1)2))3))[C@](C)4C5)))
CPD-14518	CC4(CC(C)(C)[C@H]5(CC[C@]2(C)([C@H](CC[C@H]1([C@@]3(C)(CC[C@H](C(C)(C)O)[C@H](CC[C@](C)12)3)))[C@@](C)(C4)5)))
CPD-14519	CC(CC[C@@H](O)[C@@H](O)[C@@H](O)CO)C1(CC[C@@]2(C)(C1CC[C@]3(C)(C2CCC4([C@](C)3CCC5([C@@](C)4CCCC(C)(C)5)))))
CPD-14520	C[C@H]5(CC(C)(C)C4(CC[C@]3(C)(C(CCC2([C@@](C)(CCC1([C@](C)(CCC(C(C)CC[C@@H](O)[C@@H](O)[C@@H](O)CO)1)2))3))[C@](C)4C5)))
CPD-14521	CC(CC[C@@H](O)[C@@H](O)[C@@H](O)C[N+])C1(CC[C@@]2(C)(C1CC[C@]3(C)(C2CCC4([C@](C)3CCC5([C@@](C)4CCCC(C)(C)5)))))
CPD-14522	CC(CCC3(O[C@@H](N2(C=NC1(/C(=NC=NC(/N)=1)2)))[C@H](O)[C@H](O)3))C4(CC[C@@]5(C)([C@H]4CC[C@]6(C)([C@@H]5CC[C@@H]7([C@](C)6CC[C@H]8([C@@](C)7CCCC(C)(C)8)))))
CPD-14523	CC(CCC1(O[C@@H](O)[C@H](O)[C@H](O)1))C2(CC[C@@]3(C)(C2CC[C@]4(C)(C3CCC5([C@](C)4CCC6([C@@](C)5CCCC(C)(C)6)))))
CPD-14524	CC(CCC(O)[C@@H](O)[C@H]([CH]=O)O)C1(CC[C@@]2(C)(C1CC[C@]3(C)(C2CCC4([C@](C)3CCC5([C@@](C)4CCCC(C)(C)5)))))
CPD-14541	C(=O)([O-])[C@@H]([N+])CC1(/C=C(O)C=CC=1)
CPD-14545	C1(/N=C([N+]([O-])=O)NC=1)
CPD-14546	C1(/NC(=O)NC=1)
CPD-14550	CC(C)=CCCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)1)
CPD-14553	C(O)[C@H]1([C@H](O)[C@H](O)[C@@H](O)[C@H](O1)OP(OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)
CPD-14555	C([O-])(=O)C[C@H]([N+])CC(=O)[O-]
CPD-14560	CC(=O)N[C@H]1(C([C@@H]([C@@H](C(=O)[O-])O[C@@H]1OP([O-])(=O)OP([O-])(OC[C@@H]3(O[C@@H](N2(C(NC(=O)C=C2)=O))[C@H](O)[C@@H]3O))=O)O)=O)
CPD-14562	CC(=O)N[C@H]1([C@H]([C@@H]([C@@H](C(=O)[O-])O[C@@H]1OP([O-])(=O)OP([O-])(OC[C@@H]3(O[C@@H](N2(C(NC(=O)C=C2)=O))[C@H](O)[C@@H]3O))=O)O)[N+])
CPD-14625	CC[C@H]1(OC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C=CC[C@@H](O)[C@H](C)[C@@H](O)CCC1)
CPD-14627	CC[C@H]1(OC(=O)C=CC=CC=CC[C@@H](O)C[C@@H](O)C=CCC(=O)[C@H](C)[C@@H](O)CCC1)
CPD-14628	CC[C@H]1(OC(=O)C=CC=CC=CC[C@@H](O)CC=CC=CC(=O)[C@H](C)[C@H](CCC1)O)
CPD-14629	CC[C@H]2(OC(=O)C=C[C@H]1(C=C[C@H]3(C[C@@H](O)C[C@@H]([C@@H]1C=CC(=O)[C@H](C)[C@H](CCC2)O)3)))
CPD-14630	CC[C@H]3(OC(=O)C=C[C@H]2(C=C[C@H]4(C[C@@H](O[C@@H]1([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1))C[C@@H]([C@@H]2C=CC(=O)[C@H](C)[C@H](CCC3)O)4)))
CPD-14631	CC[C@H]4(OC(=O)C[C@H]3([C@H]2(C=C[C@H]5(C[C@@H](O[C@@H]1([C@H](O)[C@H](O)[C@@H](O)[C@H](C)O1))C[C@@H]([C@@H]2C=C3C(=O)[C@H](C)[C@H](CCC4)O)5))))
CPD-14632	CC[C@H]4(OC(=O)C[C@H]3([C@H]2(C=C[C@H]5(C[C@@H](O[C@@H]1([C@H](OC)[C@H](O)[C@@H](O)[C@H](C)O1))C[C@@H]([C@@H]2C=C3C(=O)[C@H](C)[C@H](CCC4)O)5))))
CPD-14633	CC[C@H]4(OC(=O)C[C@H]3([C@H]2(C=C[C@H]5(C[C@@H](O[C@@H]1([C@H](OC)[C@H](OC)[C@@H](O)[C@H](C)O1))C[C@@H]([C@@H]2C=C3C(=O)[C@H](C)[C@H](CCC4)O)5))))
CPD-14634	CC[C@H]4(OC(=O)C[C@H]3([C@H]2(C=C[C@H]5(C[C@@H](O[C@@H]1([C@H](OC)[C@H](OC)[C@@H](OC)[C@H](C)O1))C[C@@H]([C@@H]2C=C3C(=O)[C@H](C)[C@H](CCC4)O)5))))
CPD-14635	C[C@@H]([C@@H](O)C)[C@H]([N+])C([O-])=O
CPD-14636	CC(O)(C)C[C@H]([N+])C([O-])=O
CPD-14638	C[C@@H](C(=O)C)[C@H]([N+])C(=O)[O-]
CPD-14668	C(=O)([O-])C[C@H]([N+])C1(/C=CC=CC=1)
CPD-14678	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)C(=O)[C@H]([N+])C2))O3))
CPD-14680	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)C(=O)[C@H]([N+]C)C2))O3))
CPD-14681	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)C(=O)[C@H]([N+](C)C)C2))O3))
CPD-14682	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@@H](C)C(=O)[C@H]([N+](C)C)C2))O3))
CPD-14683	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@H](O)[C@H]([N+](C)C)C2))O3))
CPD-14736	C(=O)([O-])[C@@H]([N+])CC(=O)C1(\C=CC=CC(/N)=1)
CPD-14762	CC(O[C@@H]1(C(O[C@@H]([C@@H](O)1)COP(=O)([O-])OP([O-])(=O)OC[C@@H]2(O[C@H]([C@H](O)[C@@H]2O)N3(C4(N=CN=C(N)C(N=C3)=4))))O))=O
CPD-14786	C([C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))OP([O-])(=O)OP([O-])(=O)OC[C@@H]3(O[C@](O)(CO)[C@@H](O)[C@H](O)3)
CPD-14787	C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(OP([O-])(=O)OC[C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))([O-])=O
CPD-14793	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@@H](NC(C)=O)[C@H](O)[C@@H](O)2))O3))
CPD-14795	CC(N[C@@H]3([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@@H]([C@@H]3O)O)CO))=O
CPD-14806	C(O)C(=O)[C@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
CPD-14808	[C@H]1([C@@H]([C@H](C([C@H]([C@@H]1O)O)=O)O)O)O
CPD-1484	[Al+++]
CPD-14872	C(OP([O-])(=O)[O-])C(=O)C(O)C(O)CC([N+])C(=O)[O-]
CPD-14873	C(=O)([O-])C1(/C=C(N)C(\O)=C/C=1)
CPD-14874	CC(=O)N[C@H](C([O-])=O)CSC3(\C1(C(\OC2(/C(\N=1)=C/C(\[CH]=O)=C/C=2))=C/C(=O)C(/N)=3))
CPD-14875	CC(=O)N[C@H](C([O-])=O)CSC3(\C1(C(\OC2(/C(\N=1)=C/C(\C([O-])=O)=C/C=2))=C/C(=O)C(/N)=3))
CPD-14876	CC(=O)NC1(/C(\[O-])=C/C=C([CH]=O)C=1)
CPD-14877	CC(=O)NC1(/C(\O)=C/C=C(C([O-])=O)C=1)
CPD-1492	[Be++]
CPD-14925	CCCCCCC=CCC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O
CPD-14926	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/[CH]=O
CPD-14927	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C/C(=O)[O-]
CPD-14966	[CH](=O)C(/C(=O)[O-])=C/C=C(O)C([O-])=O
CPD-14994	CCC=CC[C@@H](C=CC=CCCCCCCCC([O-])=O)O
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CPD-15547	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O[C@@H]%14(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%13(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]%12(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]%11(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]%10(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]9(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]8(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]6(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]5(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[R]O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)2))3))4))[C@H](O)5))[C@H](O)6))7))[C@H](O)8))[C@H](O)9))[C@H](O)%10))%11))%12))[C@H](O)%13))[C@H](O)%14))NC(C)=O)
CPD-15548	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)C(=O)[C@@H](O)[C@@H](O)2))O3))
CPD-15551	CS(=O)[O-]
CPD-15554	C1(C[C@H]([N+])C(=O)O1)
CPD-15555	C([O-])(=O)CC1(\C2(\C=CC=CC(/NC(\O)=1)=2))
CPD-15586	C([O-])(=O)[C@H]([N+])[C@@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
CPD-15596	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)[C@H](O)[C@H](NC(=O)C)[C@@H](O)2))O3))
CPD-15598	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)[C@@H](O)[C@H](NC(=O)C)[C@@H](O)2))O3))
CPD-15616	C(O)C(=O)[C@@H](O)[C@H](O)[C@@H](O)CO
CPD-15633	[CH](=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
CPD-15639	CC(N[C@@H]3([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@@H]([C@@H]3O)O)C([O-])=O))=O
CPD-15642	C[C@@H]3(C(=O)[C@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15643	C[C@@H]3([C@@H](O)[C@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15644	C[C@@H]3([C@@H](O)[C@H]([C@@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15645	C[C@@H]3([C@H](O)[C@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15646	C[C@@H]3([C@H](O)[C@H]([C@@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15647	C[C@H]3([C@@H](O)[C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15648	C[C@H]3([C@H](O)[C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
CPD-15670	C[C@@H]3([C@@H](O)[C@H]([C@@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=[N+])O)
CPD-15673	CC(=[N+])N[C@H]3([C@H](NC(=O)C)[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O[C@H](C(=O)[O-])[C@@H](O)3)
CPD-15716	C([C@@H]2(O[C@@](O[C@@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)COP([O-])(=O)[O-]))([C@@H](O)[C@H](O)2)CO))O
CPD-15720	CC[C@@]3(O)(C[C@H](O)C4(C(/O)=C1(C(\C(=O)C2(\C=CC=C(O)C(/C(=O)1)=2))=C/C([C@@H](C(OC)=O)3)=4)))
CPD-15721	CC[C@@]3(O)(CC(=O)C4(C(/O)=C1(C(\C(=O)C2(\C=CC=C(O)C(/C(=O)1)=2))=C/C([C@@H](C(OC)=O)3)=4)))
CPD-15730	CC[C@@]3(C[C@@H](C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)O))=O)=C(C(\[C@@H](C(=O)OC)3)=4)/O)))O[C@H]5(O[C@@H](C)[C@@H](O)[C@@H]([N+])C5))O
CPD-15731	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@@H](O)[C@@H]([N+])C2))O3))
CPD-15739	CC[C@@]3(C[C@@H](C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)O))=O)=C(C(\C(C([O-])=O)3)=4)/O)))O[C@H]5(O[C@@H](C)[C@@H](O)[C@@H]([N+])C5))O
CPD-15740	CC[C@@]3(C[C@@H](C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)OC))=O)=C(C(\C(C([O-])=O)3)=4)/O)))O[C@H]5(O[C@@H](C)[C@@H](O)[C@@H]([N+])C5))O
CPD-15744	CC(C)C[C@H](C(NC7(C(N[C@@H](CC(N)=O)C(NC4(C(N[C@@H]2(C(NC(C(NC(C(=O)[O-])C3(/C(C1(/C(\O)=C/C=C(C=1)2))=C(C=C(C=3)O)O))=O)[C@@H](C9(/C=CC(/OC6(\C=C4C=C(C(/O[C@@H]5([C@@H]([C@H]([C@@H]([C@@H](CO)O5)O)O)O))=6)OC8(\C=CC(\[C@H]7O)=C/C(/Cl)=8)))=C(C=9)/Cl))O)=O))=O))=O)=O))=O)[N+]C
CPD-15746	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@H](O)[C@@](C)([N+])C2))O3))
CPD-15754	CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(=O)([O-])OC[C@H](N[an [acp] domain within a polyketide synthase])C(=O)[an [acp] domain within a polyketide synthase])=O)=O
CPD-15764	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@@H](O)[C@@H]([N+](C)C)C2))O3))
CPD-15765	CC[C@]1([C@H](C(=O)OC)C4(/C(/[C@H](C1)O[C@@H]2(C[C@@H]([C@@H]([C@H](C)O2)O[C@@H]3(C[C@@H]([C@@H]([C@H](C)O3)O)O))[N+](C)C))=C(C5(/C(C6(\C(\O)=C/C=CC(/C(C(\C=4)=5)=O)=6))=O))/O))O
CPD-15766	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@@H](O)CC2))O3))
CPD-15770	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@@H](C)[C@@H](O)[C@@H](O)C2))O3))
CPD-15771	CCC(=O)CC(=O)C3(/C(/O)=C1(C(\CC2(\C=CC=C(O)C(\C(=O)1)=2))=C/C(/CC([O-])=O)=3))
CPD-15780	CC[C@@]3(CC(C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)O))=O)=C(C(/[C@@H](C(=O)OC)3)=4)/O)))=O)O
CPD-15781	CC(C([O-])=O)[N+][C@H](C([O-])=O)CC[S+](C)C
CPD-15783	CC[C@@]3(C[C@@H](C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)OC))=O)=C(C(\[C@@H](C(=O)OC)3)=4)/O)))O[C@H]5(O[C@@H](C)[C@@H](O)[C@@H]([N+])C5))O
CPD-15785	CC[C@]1([C@H](C(=O)[O-])C5(/C(/[C@H](C1)O[C@@H]2(C[C@@H]([C@@H]([C@H](C)O2)O[C@@H]3(C[C@@H]([C@@H]([C@H](C)O3)O[C@@H]4(CCC([C@H](C)O4)=O))O))[N+](C)C))=C(C6(/C(C7(\C(\O)=C/C=CC(/C(C(\C=5)=6)=O)=7))=O))/O))O
CPD-15787	CC[C@@]3(C[C@@H](C4(/C(/O)=C1(C(/C(C2(\C=CC=C(C(/C1=O)=2)O))=O)=C(C(\[C@@H](C(=O)[O-])3)=4)/O)))O)O
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CPD-158	C1(/C(\[N+]([O-])=O)=C/C(/O)=C(C=1)/O)
CPD-15803	CCC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC(O)CC(=O)CC(=O)CC(=O)CC(SCCNC(=O)CCNC([C@H](O)C(C)(C)COP(=O)([O-])OC[C@H](N[an [acp] domain within a polyketide synthase])C(=O)[an [acp] domain within a polyketide synthase])=O)=O
CPD-15826	C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)COP([O-])(=O)[O-]
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CPD-15848	C([O-])(=O)C1(/C=C[C@@H](O)[C@H](O)C=1)
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CPD-15874	C([C@@H]5(O[C@@H]7(NC8(\N=C(N)NC(=O)C(\N[C@@H](C6(/S[Mo]1(=O)(SC2(\[C@@H](COP([O-])(=O)[O-])O[C@H]3([C@H](C(/S1)=2)NC4(/C(=O)NC(N)=NC(/N3)=4))))SC\5=6))7)=8))))OP([O-])(=O)[O-]
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CPD-159	C[C@@H](CC(CC([O-])=O)=O)[N+]
CPD-15902	CC(/NC(C)=O)=C(C)/NC(C)=O
CPD-15903	CC(C(C)=O)NC(C)=O
CPD-15904	CC(C(C)O)NC(C)=O
CPD-15916	C1(=NC2(N=CNC(=S)C(N1)=2))
CPD-15926	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP([O-])(=O)OP([O-])(=O)O[C@@H]2(O[C@H](C)[C@@H](O)[C@@H](O)[C@@H](O)2))O3))
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CPD-15944	CC[C@H]1([C@H](C=C(C)C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@H](O)CC(=O)O1)O[C@H]2(O[C@H](C)[C@@H](O)[C@H]([N+](C)C)[C@@H](O)2))CO)
CPD-15945	CC[C@H]1([C@H](C=C(C)C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@H](O)CC(=O)O1)O[C@H]2(O[C@H](C)[C@@H](O)[C@H]([N+](C)C)[C@@H](O)2))C)
CPD-15946	CC[C@H]1([C@H](C=C(C)C=CC(=O)[C@H](C)C[C@H](CCO)[C@@H]([C@@H](C)[C@H](O)CC(=O)O1)O[C@H]2(O[C@H](C)[C@@H](O)[C@H]([N+](C)C)[C@@H](O)2))C)
CPD-15947	CC[C@@H]1(C[C@@H](C)C(=O)C=CC(/C)=C/[C@H](C)[C@@H](CC)OC(=O)C[C@@H](O)[C@H](C)[C@H]1O[C@H]2(O[C@H](C)[C@@H](O)[C@H]([N+](C)C)[C@@H](O)2))
CPD-15948	CC[C@H]1([C@H](O)[C@@H](C)[C@H](O)CC(O[C@H](CC)[C@@H](C)C=C(C=CC([C@H](C)C1)=O)C)=O)
CPD-15961	CC(=O)N(O)CCCP([O-])(=O)O
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CPD-17574	C(N=NC=C1(C=C(OC)C(=O)C(\OC)=C/1))=C2(C=C(OC)C(C(\OC)=C/2)=O)
CPD-1763	CC1(/C3(CC[C@@H](C)C2(C[C@@](C)(C)CC(C=1)2)3))
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CPD-17675	CC(C1(/C=CC=CC=1))=NN
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CPD-17752	C1(C2(/C(\ON=1)=C/C=C([N+]([O-])=O)C=2))
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CPD-17766	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](COP(OC[C@H](O)CO)([O-])=O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
CPD-17782	[CH](=O)CCC(=O)C1(/C=CC(O)=NC=1)
CPD-17820	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP([O-])(=O)[O-]
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CPD-17870	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)N)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
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CPD-17890	CC(C)CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(CCOP(=O)(O[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]4(O[C@H](C(=O)[O-])[C@@H](O[C@@H]3(O[C@H](C(=O)[O-])[C@H](O[C@H]2(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3))[C@H](O)[C@@H](O)4))O)O))[O-])C
CPD-17891	CC(C)CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(CCOP(=O)(O[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]3(O[C@H](C(=O)[O-])[C@@H](O[C@H]2(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3))O)O))[O-])C
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CPD-17893	CC(C)CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(CCOP(=O)(O[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O))[O-])C
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CPD-17940	CC(=O)NC2(\C(=O)NC1(/C(/SSC=1)=2))
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CPD-17948	C1(=O)(C(/N)=C2(C(\N1)=C/SS2))
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CPD-17986	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@H]([N+])C([O-])=O)C(N[C@H](C)C(=O)[O-])=O)NC(=O)[C@@H](C)O[C@@H]2([C@H](O[C@H]1(O[C@H](CO)[C@@H](O[R])[C@H](O)[C@@H](NC(C)=O)1))C3(COC([C@H](NC(=O)C)2)O3))
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CPD-18012	CC1(O)(C(O)NC(=O)NC(=O)1)
CPD-18029	CC1(/C(/OC)=C(C=C(C[C@@H](C(=O)[O-])[N+])C=1)/O)
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CPD-18203	C1(=O)(C([N+])C(S)C(C([O-])=O)(C=S)N1)
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CPD-18321	COC1(/C=CC2(/NC=NC(\C=1)=2))
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CPD-18328	C=C[C@@](C)(CCC=C(C)C)C2(/C3(\NC=C1(C(\C(\N(C)[C@H](C(N[C@H](CO)C1)=O)C(C)C)=C/C=2)=3)))
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CPD-184	C1(OC(\C([O-])=O)=C/C(\C([O-])=O)=C/1)(=O)
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CPD-18438	CC1(\C=CC(/C(=O)C[C@@H]([N+])C([O-])=O)=C(C(\O)=1)/N)
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CPD-18447	CC1(/C2(/OC3(/C(=NC(\C(\C(=O)[O-])=C/C=1)=2)C(/C(=O)[O-])=C(C(=O)C(/C)=3)/N)))
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CPD-18456	C[C@@H]1([C@H]([C@@H]([C@H](NC(C)=O)[C@@H](O)O1)O)NC(=O)C)
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CPD-18495	CC1(/C(\OC)=C/C2(/N=CNC(\C=1)=2))
CPD-18497	C1(=NC2(\C=C(C=CC(/N1)=2)O))
CPD-18508	CC(C)=CCCC(/C)=C/CCC(/C)=C/C[C@@H](O)C=C(C)CCC=C(C)CCC=C(C)C
CPD-18530	CC(C)[C@@H]3(C(OC[C@@H](NC(=O)C1(/N=C2(C=CC=CC(=NC=1)2)))C(=O)N[C@@H](C)C(=O)N(C)C4(C(=O)N(C)[C@@H](C(C)C)C(=O)OC[C@H](C(N[C@@H](C)C(=O)N(C)C(C(=O)N(C)3)CSC(SC)4)=O)NC(=O)C5(/N=C6(C=CC=CC(=NC=5)6))))=O)
CPD-18532	C([O-])(=O)[C@@H]([N+])[C@@H](O)C(=O)C1(\C=CC=CC(/N)=1)
CPD-18533	C([O-])(=O)C1(C(\O)=C/C2(C=CC=CC(N=1)=2))
CPD-18534	C([O-])(=O)C1(C=NC2(/C(\N=1)=C/C=CC=2))
CPD-18536	C([O-])(=O)C1(C(/O)=C(C2(\C=CC=CC(/N=1)=2))/O)
CPD-18537	C(=O)([O-])[C@H](O)[C@H](NC1(\C=CC=CC(/N)=1))C(=O)[O-]
CPD-18538	C1(\NC2(\C=CC=CC(/C(\[C@H](O)[C@@H](C(=O)[O-])[N+])=1)=2))
CPD-18539	[CH](=O)NC1(\C=CC=CC(/C(=O)[C@H](O)[C@H]([N+])C(=O)[O-])=1)
CPD-18541	CC(C)[C@@H]1(C(=O)OC[C@H](C(N[C@@H](C)C(N(C)[C@H]2(CSSC[C@H](C(N(C)1)=O)N(C)C([C@H](C)NC([C@@H](COC([C@H](C(C)C)N(C)C2=O)=O)NC(C3(C=NC4(/C(\N=3)=C/C=CC=4)))=O)=O)=O))=O)=O)NC(C5(C=NC6(/C(\N=5)=C/C=CC=6)))=O)
CPD-18544	C(C([C@H](O)C(C1(/C(\N)=C/C=CC=1))=O)=O)([O-])=O
CPD-18545	C(=O)([O-])C(=O)[C@H](NC1(\C=CC=CC(/N)=1))C(=O)[O-]
CPD-18549	CC(C)[C@@H]1(C(=O)OC[C@H](C(N[C@@H](C)C(N(C)[C@H](CS)C(N(C)[C@H](C(=O)OC[C@H](C(N[C@@H](C)C(N(C)[C@H](CS)C(N(C)1)=O)=O)=O)NC(C2(C=NC3(/C(\N=2)=C/C=CC=3)))=O)C(C)C)=O)=O)=O)NC(C4(C=NC5(/C(\N=4)=C/C=CC=5)))=O)
CPD-18550	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(OC(=O)C4(C=NC5(/C(\N=4)=C/C=CC=5)))([O-])=O
CPD-18559	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(OC(=O)C4(C(\O)=C/C5(C=CC=CC(N=4)=5)))([O-])=O
CPD-18561	C2(/C=CC3(/N=C1(C(C=CC=C(O)1)=NC(\C=2)=3)))
CPD-18562	CCCCCCCCCCCCCCCC(O[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2(O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO))CO)O)O))=O
CPD-18569	CCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C([O-])=O
CPD-18578	CC[C@@H](OC)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18580	CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@H](OC)CC
CPD-18587	CC(=O)N[C@H](C(OP(OC[C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))([O-])=O)=O)CC[PH](=O)[O-]
CPD-18588	C[C@H]([N+])C(OP(OC[C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))([O-])=O)=O
CPD-18589	CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CC[PH](=O)[O-])NC(C)=O
CPD-18590	CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@H](CCP(=O)([O-])C)NC(C)=O
CPD-18600	CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)OS([O-])(=O)=O)O[C@@H]2(O[C@@H]([C@H]([C@@H]([C@H]2OC(=O)CCCCCCCCCCCCCCC)OC([C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)=O)O)COC([C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC)=O)))=O)C
CPD-18613	CCCCCCCCCCCCCCCCCCCC(O)CC(O)CCCCC(C)C(O)CC
CPD-18617	C[C@@H]2([C@H](O)[C@@H](O)[C@@H](OC)[C@H](OC1(/C=CC(\C(OC)=O)=C/C=1))O2)
CPD-18619	C[C@@H]4([C@H](O)[C@@H](O[C@H]1(O[C@@H](C)[C@@H](OC)[C@@H](OC)[C@H](OC)1))[C@@H](O)[C@H](O[C@@H]3([C@@H](OC)[C@H](OC2(/C=CC(\C(OC)=O)=C/C=2))O[C@@H](C)[C@H](O)3))O4)
CPD-18623	C(CCCCCCCC1(/C=CC(\O)=C/C=1))CCCCCCCCC(=O)[O-]
CPD-18627	CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)C(=O)CC
CPD-18629	CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)C(=O)CC
CPD-18630	CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@H](O)CC
CPD-18633	CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC[C@H](C)[C@H](OC)CC
CPD-18635	C(/C(\O)=C/[CH]=O)=C/C(=O)[O-]
CPD-18636	CCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC=C(C)C(=O)CC
CPD-18637	CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC=C(C)C(=O)CC
CPD-18644	CC(CN)CCC1(O)([C@@H](C)C2([C@@H](O1)CC3([C@@](C)2CC[C@@H]4([C@H]3CC=C5([C@@](C)4CC[C@H](O)C5)))))
CPD-18645	CC(C=O)CCC1(O)([C@@H](C)C2([C@@H](O1)CC3([C@@](C)2CC[C@@H]4([C@H]3CC=C5([C@@](C)4CC[C@H](O)C5)))))
CPD-18654	CC[C@@H](O)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18655	CCC(=O)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18657	C(CCCCCCCCCC(=O)[O-])CCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18660	CCC(=O)C(/C)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18665	CCCCCCCCCCCCCCCCCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C(O[C@H](CCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1))C[C@H](OC(=O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)CCCCCCCCCCCCCCCCCC)CCCC[C@H](C)[C@H](OC)CC)=O
CPD-18670	CC(\C(=O)C(C)C([O-])=O)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18671	CC(\C(=O)C(C)C([O-])=O)=C/CCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18672	CCCCCCCCCCCCCCCCCCCCC[C@@H](O)C[C@H](O)CCCC=C(C)C(=O)C(C)C([O-])=O
CPD-18685	C[C@@H]4([C@H](O)[C@@H](O[C@H]1(O[C@@H](C)[C@@H](OC)[C@@H](O)[C@H](OC)1))[C@@H](O)[C@H](O[C@@H]3([C@@H](OC)[C@H](OC2(/C=CC(\C(OC)=O)=C/C=2))O[C@@H](C)[C@H](O)3))O4)
CPD-18686	C[C@@H]4([C@@H](O)[C@@H](O)[C@H](OC)[C@H](O[C@@H]3([C@@H](O)[C@H](O[C@@H]2([C@@H](OC)[C@H](OC1(/C=CC(\C(OC)=O)=C/C=1))O[C@@H](C)[C@H](O)2))O[C@@H](C)[C@H](O)3))O4)
CPD-18687	C[C@@H]4([C@@H](O)[C@@H](O)[C@H](O)[C@H](O[C@@H]3([C@@H](O)[C@H](O[C@@H]2([C@@H](OC)[C@H](OC1(/C=CC(\C(OC)=O)=C/C=1))O[C@@H](C)[C@H](O)2))O[C@@H](C)[C@H](O)3))O4)
CPD-18688	C[C@@H]3([C@H](O)[C@@H](O)[C@@H](O)[C@H](O[C@@H]2([C@@H](OC)[C@H](OC1(/C=CC(\C(OC)=O)=C/C=1))O[C@@H](C)[C@H](O)2))O3)
CPD-18690	C[C@@H]2([C@H](O)[C@@H](O)[C@@H](O)[C@H](OC1(/C=CC(\C(OC)=O)=C/C=1))O2)
CPD-18691	COC(=O)C1(/C=CC(\O)=C/C=1)
CPD-18694	CCC(=O)[C@@H](C)CCCC[C@@H](O)C[C@H](O)CCCCCCCCCCCCCCCCCCC1(/C=CC(\O)=C/C=1)
CPD-18703	CCCCCCCCCCCCCCCCCC(O[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@@H]2(O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO))CO)O)O))=O
CPD-18704	CCCCCCCCCCCCCCCC(O[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O
CPD-18706	CCCCCCCCCCCCCCC[C@@H](O)[C@H](C)C[C@H](C)C[C@H](C)C[C@H](C)C[C@@H](C[C@@H](C[C@H](C)C(O[C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)CCCCCCCCCCCCCCC)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS([O-])(=O)=O))CO)O))=O)C)C
CPD-18713	CCCCCCCCCCCCCCCCCC(O[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)OS([O-])(=O)=O))CO)O)O))=O
CPD-18727	C[C@H]2([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)C=CO[C@]1(C)(C(=O)C5(\C(\O1)=C(C)/C(/[O-])=C3(C(/C(/O)=C(C(/NC(=O)C(\C)=C/C=C2)=C3/O)/C=NN4(CC[N+](C)CC4))=5))))
CPD-18733	CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1(O)(C2(\C=CC=CC(/[N+](=C(C)C(=O)1)[O-])=2))
CPD-18735	[C@H]4(O)(O[C@H](CO)[C@H](O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O[C@H]1(OC[C@@H](O)[C@H](O)[C@@H](O)1))[C@@H](O[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2))3))[C@H](O)[C@@H](O)4)
CPD-18736	CC(C)=CCCC(/C)=C/CCC(/C)=C/CC1(O)(C2(\C=CC=CC(/[N+](=C(C)C(O)1)[O-])=2))
CPD-18740	C2(/C=CC(\OC1(/[C@@H](O)[C@@H](O)C=CC=1))=C/C=2)
CPD-18741	C2(/C=CC(\OC1(/C(/O)=C(C=CC=1)/O))=C/C=2)
CPD-18745	C2(/C=CC(\OC1(/[C@@H](O)[C@@H](O)C=C(Br)C=1))=C/C=2)
CPD-18746	C2(/C=CC(\OC1(/C(/O)=C(C=C(Br)C=1)/O))=C/C=2)
CPD-18748	C([O-])(=O)C(/O)=C/C=CC(=O)OC1(/C=CC=CC=1)
CPD-18750	C([O-])(=O)C(/O)=C/C=CC(=O)OC1(/C=CC(\Br)=C/C=1)
CPD-18765	C(=O)(NC1(\C(=O)CCC(/O)=1))C=CC=CC=CC2(C=CC(/O)=C(C=2)/NC(=O)C=CC=CC=CC3(CCCCC3))
CPD-18766	C(=O)(NC1(\C(=O)CCC(/O)=1))C=CC=CC=C[C@]3(O)(C=C(NC(=O)C=CC=CC=CC2(CCCCC2))C(=O)C=C3)
CPD-18767	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)O))OP(OC(C4(/C=C(N)C(\O)=C/C=4))=O)([O-])=O
CPD-18773	C(O)[C@]1(O)(CC(=O)C(/O)=C(C1)/O)
CPD-18776	COC1(\C(=O)C[C@](CO)(O)CC(/O)=1)
CPD-18777	COC1(\C(=O)C[C@@](CO)(O)CC(/NCC([O-])=O)=1)
CPD-18779	COC1(\C(=O)C[C@@](CO)(O)CC(/O)=1)
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CPD-18848	CCC7(/C4(=N8(.[Mg]26(.N1(C(\[C@@H](C)[C@H](CCC(=O)[O-])C=1C5(\[C-]C(=O)C3(/C(/N2C(\C(/CC)=3)=C/4)=5)))=C/C9(/N6C(/C=C(C(\C)=7)8)=C(C(\C)=9)/[C@H](O)C))))))
CPD-18849	CCC7(/C4(=N8(.[Mg]26(.N1(C(\[C@@H](C)[C@H](CCC(=O)[O-])C=1C5(\[C-]C(=O)C3(/C(/N2C(\C(/C)=3)=C/4)=5)))=C/C9(/N6C(/C=C(C(\C)=7)8)=C(C(\C)=9)/[C@H](O)C))))))
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CPD-18858	CCC7(/C4(=N8(.[Mg]26(.N1(C(\[C@@H](C)[C@H](CCC(=O)[O-])C=1C5(\[C-]C(=O)C3(/C(/N2C(\C(/C)=3)=C/4)=5)))=C(C)/C9(/N6C(/C=C(C(\C)=7)8)=C(C(\C)=9)/[C@H](O)C))))))
CPD-18859	CCC7(/C4(=N8(.[Mg]26(.N1(C(\[C@@H](C)[C@H](CCC(=O)OCC=C(C)CCC=C(C)CCC=C(C)C)C=1C5(\[C-]C(=O)C3(/C(/N2C(\C(/C)=3)=C/4)=5)))=C(C)/C9(/N6C(/C=C(C(\C)=7)8)=C(C(\C)=9)/[C@H](O)C))))))
CPD-18860	CCC7(/C4(=N8(.[Mg]26(.N1(C(\[C@@H](C)[C@H](CCC(=O)[O-])C=1C5(\[C-]C(=O)C3(/C(/N2C(\C(/CC)=3)=C/4)=5)))=C(C)/C9(/N6C(/C=C(C(\C)=7)8)=C(C(\C)=9)/[C@H](O)C))))))
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CPD-18978	CC(\C[C@@H]1([C@H](O)[C@H](O)[C@@H](CC=C[C@H]([C@H](C)O)C)CO1))=C/C(OCCCCCCCC(=O)[O-])=O
CPD-18979	CC(\C[C@@H]1([C@H](O)[C@H](O)[C@@H](CC=C[C@H]([C@H](C)O)C)CO1))=C/C(OCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O
CPD-18981	CC(\C[C@@H]1([C@H](O)[C@H](O)[C@@H](CC=C[C@H]([C@H](C)O)C)CO1))=C/C(OCCCCCCCCC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-])=O)=O
CPD-19005	C(O)CSCCS(=O)(=O)[O-]
CPD-19008	C(CS(=O)(=O)[O-])SCC(=O)[O-]
CPD-19012	CC(C)(C)O
CPD-19013	CC(O)(C)CO
CPD-19014	CC(O)(C)C(=O)[O-]
CPD-19037	CC(O)(C)[CH]=O
CPD-19040	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(O)(C)C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19043	CC(C)(C)OCO
CPD-19044	CC(C)(C)O[CH]=O
CPD-19066	C[C@H](CCC[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])C)[C@@H]6(CC[C@@H]7([C@H]5(CCC4(/[C@@](CCC(=O)C=4)(C)[C@H]5CC[C@](C)67))))
CPD-19067	C[C@H](CCC[C@H](C(=O)[O-])C)[C@@H]3(CC[C@@H]4([C@H]2(CCC1(/[C@@](CCC(=O)C=1)(C)[C@H]2CC[C@](C)34))))
CPD-19072	C[C@H](CCC[C@@H](C(=O)[O-])C)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
CPD-19074	C[C@H](CCC[C@H](C(=O)[O-])C)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
CPD-19092	CCCCC(CC)COS([O-])(=O)=O
CPD-191	CC=C(CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(CCC=C(CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)COP(=O)([O-])OP(=O)([O-])O[C@@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1))C)C)C)C)C)C)C
CPD-19111	C(O)[C@H](O)CO[C@@H]1(O[C@H](CS([O-])(=O)=O)[C@@H](O)[C@H](O)[C@@H](O)1)
CPD-19114	C([O-])(=O)CC(C1(/C(\N)=C/C=CC=1))=O
CPD-19118	C([O-])(=O)CC(C1(/C(\NO)=C/C=CC=1))=O
CPD-19133	C(O)C(=O)[C@H](O)COP([O-])(=O)[O-]
CPD-19135	C(C([C@H](O)CO)=O)OP([O-])([O-])=O
CPD-19136	C(C([C@@H](O)CO)=O)OP([O-])([O-])=O
CPD-19138	C([C@H]([C@H](COP([O-])(=O)[O-])O)O)O
CPD-19144	CCCCCCCCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19147	CCCCCCC=CCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19148	CCCCCCC=CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19150	CCCCCCC=CCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19151	CCCCCCC=CC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19153	CCCCCCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19154	CCCCCCC=CCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19155	CCCCCCC=CCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19157	CCCCCCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19158	CCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19159	CCCCCCC=CCCCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19160	CCCCCCC=CCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19161	CCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19162	CCCCCCC=CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19163	CCCCCCC=CCCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19167	CCCCCCCCC=CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19168	CCCCCCCCC=CCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19169	CCCCCCCCC=CCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19170	CCCCCCCCC=CCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19171	CCCCCCCCC=CCCCCC[C@H](O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19172	CCCCCCCCC=CCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19179	C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])[C@@H]1(O[C@@H]2(N3(C4(N=C(N)NC(=O)C(N[C@H]([C@](O)1[C@@H](O)2)3)=4))))
CPD-19181	COP(=O)(O[DNA<sub><i>n</i></sub>])O[DNA<sub><i>n</i></sub>]
CPD-19185	O(P(O[DNA<sub><i>n</i></sub>])([O-])=O)[DNA<sub><i>n</i></sub>]
CPD-19187	C(O)COC(=O)C1(/C=CC(\C([O-])=O)=C/C=1)
CPD-19188	C(O[R1])COC(=O)C2(/C=CC(\C(=O)OCCOC(=O)C1(/C=CC(\C(O[R2])=O)=C/C=1))=C/C=2)
CPD-19199	C3(O)(O[C@H](CO)[C@@H](O[C@H]2(O[C@H](CO)[C@H](O[C@@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1))[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3)
CPD-19202	C(NC(N)=[N+])CC[C@H](NC(=O)[C@@H]([N+])C1(/C=CC(\O)=C/C=1))C(=O)N[C@@H](C(N[C@@H](CO)C(=O)N[C@H](C([O-])=O)C2(/C=CC(\O)=C/C=2))=O)C3(/C=CC(\O)=C/C=3)
CPD-19203	C(O)[C@H](NC(=O)[C@H]([N+])C1(/C=CC(\O)=C/C=1))C(=O)N[C@H](C([O-])=O)C2(/C=CC(\O)=C/C=2)
CPD-19205	C(NC(N)=[N+])CC[C@H](NC(=O)[C@@H]([N+])C1(/C=CC(\O)=C/C=1))C(=O)[O-]
CPD-19209	C3([C@H](NC(C(C1(/C=CC(\OCC[C@H]([N+])C(=O)[O-])=C/C=1))=NO)=O)C(=O)N([C@H](C2(/C=CC(\O)=C/C=2))C(=O)[O-])3)
CPD-19220	C(O)[C@@]1(O)(CC(=O)C(/O)=C(C1)/O)
CPD-19233	COC1(/C(=O)C(\OC)=C/C(C=1)=C2(C=C(OC)C(=O)C(\OC)=C/2))
CPD-19235	CC(=O)NCP([O-])(=O)O[C@H]1([C@@H]([C@@H]([C@H](O1)COP([O-])(OP([O-])(=O)OP(=O)([O-])[O-])=O)O)O)
CPD-19236	CC(=O)NCP([O-])(=O)O[C@H]1([C@@H]([C@@H]([C@H](O1)COP([O-])([O-])=O)O)O)
CPD-19237	CC(=O)NC
CPD-19238	C([C@H]1([C@H]([C@H]([C@@H](OP([O-])(=O)CNCC([O-])=O)O1)O)O))OP([O-])(OP([O-])(=O)OP(=O)([O-])[O-])=O
CPD-19239	C([C@H]1([C@H]([C@H]([C@@H](OP([O-])(=O)CNCC([O-])=O)O1)O)O))OP([O-])([O-])=O
CPD-19240	CC(=O)N[C@@H](P([O-])([O-])=O)C
CPD-19241	C[C@H]([N+])P([O-])([O-])=O
CPD-19242	CC(=O)N[C@H](P([O-])([O-])=O)C
CPD-19243	CC(=O)NCCP([O-])([O-])=O
CPD-19251	C=C(C)C(CC=C(C)CO)CCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(CC=C(C)CO)C(C)=C
CPD-19252	C[C@@]1(O)(C4(/C(/C(=O)[C@]2(O)(C(=O)[C@]3(O)(C(=O)C(/C(=O)N)=C([C@@H]([N+](C)C)[C@H](C[C@H]12)3)/[O-])))=C(C=CC=4)/O))
CPD-19254	CC(\C=CC=C(C)C=CC1(C(C)(C)C(CC=C(C)1)CC=C(C)CO))=C/C=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)C(CC=C(C)CO)CC=C(C)2)
CPD-19255	C[C@@]1(O)(C4(\C=CC=C(O)C(/C(=O)C2(\[C@H]1[C@H](O)[C@@H]3([C@@](C(/O)=2)(O)C(=O)C(/C(=O)N)=C([C@@H]([N+](C)C)3)/[O-])))=4))
CPD-19260	CC(C)(C)[N+]CC(=O)NC1(\C=C(N(C)C)C2(/C[C@H]3(C(/C(=O)C(/C(/O)=1)=2)=C([C@@]4(O)([C@@H](C3)[C@H]([N+](C)C)C(/[O-])=C(C(=O)4)/C(N)=O))/O)))
CPD-19261	CC(C)(C)[N+]CC(=O)NC3(\C=C(N(C)C)C4(/C[C@H]1([C@@](O)(C(=O)[C@@]2(O)([C@@H](C1)[C@H]([N+](C)C)C(/[O-])=C(C(=O)2)/C(N)=O))C(=O)C(/C(/O)=3)=4)))
CPD-19267	CC(\C=CC=C(C)C=CC1(C(C)(C)C(CC=C(C)1)CC=C(C)CO[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2)))=C/C=CC=C(C)C=CC=C(C)C=CC4(C(C)(C)C(CC=C(C)CO[C@@H]3([C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3))CC=C(C)4)
CPD-19268	C[C@@]1(O)(C4(\C=CC=C(O)C(/C(=O)C2(C(=O)[C@]3(O)(C(=O)C(/C(=O)N)=C([C@@H]([N+](C)C)[C@H]([C@@H](O)C1=2)3)/[O-])))=4))
CPD-19270	CC3(/C4(C=CC=C(O)C(C(/O)=C1(C(\C[C@@H]2([C@@](C1=O)(O)C(=O)C(/C(=O)N)=C([C@@H]([N+])2)/[O-]))=3))=4))
CPD-19271	CC3(/C4(C=CC=C(O)C(C(/O)=C1(C(\C[C@@H]2([C@@](C1=O)(O)C(=O)C(/C(=O)N)=C([C@@H]([N+]C)2)/[O-]))=3))=4))
CPD-19272	CC3(/C4(C(/C(/O)=C1(C(\C[C@@H]2([C@@](C1=O)(O)C(=O)C(/C(=O)N)=C(C(=O)2)/[O-]))=3))=C(C=CC=4)/O))
CPD-19273	CC3(/C4(C=CC=C(O)C(C(/O)=C2(C(\C=C1(C(/C(/[O-])=C(C(\O)=C/1)/C(=O)N)=C2/O))=3))=4))
CPD-19274	CC3(/C4(C=CC=C(O)C(C(/O)=C2(C(\C=C1(C(/C(/[O-])=C(C(/O)=C1/O)/C(=O)N)=C2/O))=3))=4))
CPD-19275	C(=O)(N)C1(\C(\O)=C/C2(/C(/C(/[O-])=1)=C(C3(\C(\C=2)=C/C4(C=CC=C(O)C(C(/O)=3)=4)))/O))
CPD-19285	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C)C=CC=C(C)C=CC=C(C)CCC(CC=C(C)CO)C(C)=C
CPD-19288	CCC(=O)CC(=O)CC(=O)CC(=O)C1(\C(\CC(=O)CC(=O)CC([O-])=O)=C/C=CC(/O)=1)
CPD-19289	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@@H](C)C(=O)[C@@H]([N+])C2))O3))
CPD-19290	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@@H](C)C(=O)C(=O)C2))O3))
CPD-19301	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]2(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP([O-])(=O)OC[C@@H](CO)O)O)[C@H](O)[C@H](NC(=O)C)2))O)NC(C)=O)
CPD-19302	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]2(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP([O-])(=O)OC[C@@H](COP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)O)O)[C@H](O)[C@H](NC(=O)C)2))O)NC(C)=O)
CPD-19307	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]2(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CO)O)[C@H](O)[C@H](NC(=O)C)2))O)NC(C)=O)
CPD-19313	COC1(/C(\O)=C/C=C(C=1)[C@H]2(OC3(C(\OC)=C/C(C=CC([O-])=O)=CC([C@@H](C(O)O)2)=3)))
CPD-19314	COC1(/C(\O)=C/C=C(C=1)[C@@H]2(OC3(C(\OC)=C/C(C=CC([O-])=O)=CC([C@H](C(O)O)2)=3)))
CPD-19317	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])O[C@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(C)=O)
CPD-19322	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2))NC(C)=O)
CPD-19323	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]2(O[C@H](COP(OC[C@H]([C@H]([C@H](CO)O)O)O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)2))NC(C)=O)
CPD-19324	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]3(O[C@H](COP(OC[C@H]([C@H]([C@H](CO[C@@H]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(C)=O))O)O)O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)3))NC(C)=O)
CPD-19326	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]4(O[C@H](COP(OC[C@H]([C@H]([C@H](CO[C@@H]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3([C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)NC(C)=O))NC(C)=O))O)O)O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)4))NC(C)=O)
CPD-19327	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]4(O[C@H](COP(OC[C@H]([C@H]([C@H](CO[C@@H]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3([C@@H]([C@H]([C@H]([C@H](O3)COP(OCC[N+](C)(C)C)([O-])=O)O)O)NC(C)=O))NC(C)=O))O)O)O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)4))NC(C)=O)
CPD-19328	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@@H]1([C@@H]([C@H]([C@H]([C@H](O1)C)[N+])O[C@H]4(O[C@H](COP(OC[C@H]([C@H]([C@H](CO[C@@H]2([C@@H]([C@H]([C@H]([C@H](O2)COP(OCC[N+](C)(C)C)([O-])=O)O)O[C@H]3([C@@H]([C@H]([C@H]([C@H](O3)COP(OCC[N+](C)(C)C)([O-])=O)O)O)NC(C)=O))NC(C)=O))O)O)O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)4))NC(C)=O)
CPD-19339	C(OP([O-])(=O)[O-])[C@H]1([C@@H](O)[C@@H](O)[C@H](O)[C@@](CO)(O)O1)
CPD-19340	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]3(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP(O[C@@H]2([C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)NC(C)=O))([O-])=O)O)[C@H](O)[C@H](NC(=O)C)3))O)NC(C)=O)
CPD-19341	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]4(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP(O[C@@H]2([C@@H]([C@H]([C@@H](O)[C@H](O2)CO)O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))NC(C)=O))([O-])=O)O)[C@H](O)[C@H](NC(=O)C)4))O)NC(C)=O)
CPD-19342	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]5(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP(O[C@@H]2([C@@H]([C@H]([C@@H](O)[C@H](O2)CO)O[C@H]4(O[C@H](COP(O[C@@H]3([C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O)NC(C)=O))([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)4))NC(C)=O))([O-])=O)O)[C@H](O)[C@H](NC(=O)C)5))O)NC(C)=O)
CPD-19343	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H](C([C@H](O1)CO)O[C@H]6(O[C@H](CO)[C@@H](OP([O-])(=O)OC[C@@H](COP(O[C@@H]2([C@@H]([C@H]([C@@H](O)[C@H](O2)CO)O[C@H]5(O[C@H](COP(O[C@@H]3([C@@H]([C@H]([C@@H](O)[C@H](O3)CO)O[C@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)4))NC(C)=O))([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)5))NC(C)=O))([O-])=O)O)[C@H](O)[C@H](NC(=O)C)6))O)NC(C)=O)
CPD-19349	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(O[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]2(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](NC(=O)C)2))O)O)NC(C)=O))([O-])=O
CPD-19350	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(O[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]3(O[C@H](CO)[C@H](O)[C@H](O[C@H]2(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)2))[C@@H](NC(=O)C)3))O)O)NC(C)=O))([O-])=O
CPD-19351	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(O[C@H]1([C@@H]([C@H]([C@H]([C@H](O1)CO[C@@H]4(O[C@H](CO)[C@H](O)[C@H](O[C@H]3(O[C@H](C(=O)[O-])[C@@H](O[C@H]2(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3))[C@@H](NC(=O)C)4))O)O)NC(C)=O))([O-])=O
CPD-19360	C=C3([C@H]([C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)O)
CPD-19361	C=C3([C@@H]([C@@H]([C@H]([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)O)
CPD-19362	CC(=O)N[C@H]5([C@@H](O)[C@@H](O)[C@@H](CC(O)[C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=CC(=O)NC1=O))O2))O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]3(O[C@H]([C@H](O)[C@H](O)3)N4(C=CC(=O)NC(=O)4)))5)
CPD-19364	CC(=O)N[C@H]3([C@@H](O)[C@@H](O)[C@@H](CC([C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=CC(=O)NC1=O))O2))O)OC(O)3)
CPD-19365	CC(=O)N[C@H]4([C@@H](O)[C@@H](O)[C@@H](CC([C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=CC(=O)NC1=O))O2))O)O[C@@H](O[C@H]3([C@@H]([C@H]([C@@H]([C@@H](CO)O3)O)O)NC(C)=O))4)
CPD-19366	CC(N[C@H]4([C@H]([C@@H]([C@@H](CO)O[C@H](O[C@@H]3([C@H]([N+])[C@@H](O)[C@@H](O)[C@@H](CC([C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=CC(=O)NC1=O))O2))O)O3))4)O)O))=O
CPD-19387	CC(N[C@H]1([C@@H]([C@@H]([C@@H](CO)O[C@H]1O[C@H]2([C@@H](CO)O[C@H]([C@@H]([C@@H]2O)NC(C)=O)O[C@@H]3([C@@H]([C@H]4([C@H]([C@H](CO)3)OC(N(C)C)=N4))O)))O)O))=O
CPD-19388	C[N+]([C@H](C(=O)[O-])CC1(/N=C(SO)NC=1))(C)C
CPD-194	C1(/C(\[N+]([O-])=O)=C/C=C(C=1)OP([O-])(=O)[O-])
CPD-19404	CC1(/C(/O)=C(C(\C(=O)[O-])=C/C=1)/O)
CPD-19405	CC(=O)C=CC(\C([O-])=O)=C(C([O-])=O)/O
CPD-19407	COC1(\C=CC(/C([O-])=O)=C(C(/O)=1)/O)
CPD-19408	COC(=O)C=CC(\C([O-])=O)=C(C([O-])=O)/O
CPD-19410	COC(=O)C=CC=C(O)C([O-])=O
CPD-1943	C([O-])(=O)C1(/C=C[C@@](C(=O)[O-])(O)[C@@H](O)C=1)
CPD-19461	C(O)[C@@H]2(O[C@H]1(OC[C@@H]5(O[C@H](O[C@H]4([C@@H](O)[C@@H](OC[C@@H]3(O[C@H](O[C@H]([C@@H](O)1)[C@H](O)2)[C@H](O)[C@@H](O)[C@H](O)3))O[C@H](CO)[C@@H](O)4))[C@H](O)[C@@H](O)[C@H](O)5)))
CPD-19471	C3(/NC4(/C(\C(\C(C(C(=N)C([O-])=O)C1(/C2(/C(\NC=1)=C/C=CC=2)))C(=N)C([O-])=O)=3)=C/C=CC=4))
CPD-195	CCCCCCCC(=O)[O-]
CPD-19543	C(C(C([O-])=O)[N+])C1(NC=NN=1)
CPD-19557	C2(/C=CC(\C1(C(=O)[O-])(CO1))=C/C=2)
CPD-19561	C(O)[C@@]1([C@H]2(O[C@]4(O)(O[C@H]1[C@@H](O)[C@]3(NC(N)N[C@H](O)[C@@H]23)([C@H](O)4))))(O)
CPD-19562	C1(C(\C(N)=S)=C/C=C[N+]=1[C@H]5(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=NC4(C(N)=NC=NC3=4))))[C@@H](O)[C@@H](O)5))
CPD-196	CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-19661	C[C@@H](C(=O)N[C@H](C([O-])=O)CCC(=O)N[C@H](C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN2(C1(C(\C(=O)NC(=O)N=1)=C/C6(/C\2=C/C(\OP(OC[C@H]5([C@H]([C@H]([C@H](N3(C4(N=C(N)NC(=O)C(N=C3)=4)))O5)O)O))([O-])=O)=C/C=6)))
CPD-19682	CC(C)CCC[C@@H](C)[C@@H]1(CC[C@H]2([C@@](C)1CC[C@@H]3([C@H]2CC=C5([C@@](C)3CC[C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)4))C5))))
CPD-19710	C=CC4(/C(\C)=C(C=C1(C(\C)=C(CCC([O-])=O)/C(\N1)=C/C3(/NC(\C=C2(C(\C=C)=C(C)/C(C=C)=N2))=C(C)/C(\CCC([O-])=O)=3)))/NC=4)
CPD-19713	C=CC2(/C(C=C1(C(\C)=C(C=C)/C(N1)=O))=NC(/C(\C)=2)=C/C4(/NC(\C=C3(C(\CCC([O-])=O)=C(C)/C(N3)=O))=C(CCC([O-])=O)/C(\C)=4))
CPD-19714	C=CC4(/C(\C)=C(C=C1(C(\C=C)=C(C)/C(N1)=O))/NC(\C=C3(N=C(C=C2(C(\CCC([O-])=O)=C(C)/C(N2)=O))C(\CCC([O-])=O)=C(C)/3))=4)
CPD-19731	C(=O)([O-])CC(=O)CC(Cl)C(=O)[O-]
CPD-19745	C(OP([O-])(=O)[O-])[CH]=O
CPD-19754	C([O-])(=O)CC[C@@H](C(=O)[O-])[N+]C[C@H]([N+])C(=O)[O-]
CPD-19757	CC(=O)N[C@@H](CC[N+])C(=O)[O-]
CPD-19778	[CH](C(/Cl)=C/C=C(N)C(=O)[O-])=O
CPD-19779	C([O-])(=O)C(/Cl)=C/C=C(C([O-])=O)N
CPD-19780	C(C(/Cl)=C/C=C(O)C(=O)[O-])(=O)[O-]
CPD-19781	C(C(C=CC(=O)C(=O)[O-])Cl)(=O)[O-]
CPD-19782	C(C=CC(=O)C([O-])=O)Cl
CPD-19833	CC3(\C=C2(C(\N(C[C@H](O)[C@H](O)[C@H](O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2))=C/C(\N(C)C)=3))
CPD-19834	CC3(\C=C2(C(\N(C[C@H](O)[C@H](O)[C@H](O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2))=C/C(\NC)=3))
CPD-19835	CC3(\C=C2(C(\N(C[C@H](O)[C@H](O)[C@H](O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2))=C/C(\N)=3))
CPD-19847	CC(=O)NCCC[C@H]([N+])CC(=O)[O-]
CPD-19856	CCC=CCC=CCC=CCC=CCC[C@H](O)[C@@H](CC=CCC=CCC=CCC=CCC)C(=O)[O-]
CPD-19857	CCC=CCC=CCC=CCC=CCC[C@H]1(C(=O)O[C@@H]1CC=CCC=CCC=CCC=CCC)
CPD-19876	C(O)[C@@H](O)[C@H](O)C([O-])=O
CPD-19877	C(O)[C@@H](O)[C@@H](O)C([O-])=O
CPD-19879	C(OP([O-])(=O)[O-])[C@@H](O)[C@H](O)C([O-])=O
CPD-19880	C(OP([O-])(=O)[O-])C(=O)[C@H](O)C([O-])=O
CPD-19881	C(OP([O-])(=O)[O-])C(=O)[C@@H](O)C([O-])=O
CPD-19882	C([C@@H](C(C(=O)[O-])=O)O)O
CPD-19883	C([C@H](C(C(=O)[O-])=O)O)O
CPD-19884	C(C([C@@H](C(=O)[O-])O)=O)O
CPD-19888	CC(C)CCCCC(C1([C@H](COP([O-])([O-])=O)COC(=O)1))=O
CPD-19889	CC(C)CCCCC(C1(C(=O)OCC(COP([O-])([O-])=O)=1))=O
CPD-19890	CC(C)CCCCC(CC(=O)OCC(=O)COP([O-])(=O)[O-])=O
CPD-19918	CC(C)CCCC[C@H]([C@@H]1([C@H](CO)COC(=O)1))O
CPD-19933	CC(C)CCCC(CC(=O)OCC(=O)COP([O-])(=O)[O-])=O
CPD-19945	CCCCCCC[C@H]([C@@H]1([C@H](CO)COC(=O)1))O
CPD-19946	CCC(C)CCCC[C@H]([C@@H]1([C@H](CO)COC(=O)1))O
CPD-19947	CCCCCCCC(C1([C@H](CO)COC(=O)1))=O
CPD-19948	CCC(C)CCCCC(C1([C@H](CO)COC(=O)1))=O
CPD-19988	CCC1(C=C(C(N)=S)C=CN=1)
CPD-19991	CCC1(C=C(C(=O)N)C=CN=1)
CPD-19997	CC2(/SC(\C(NC1(/C=CC(\[N+](=O)[O-])=C/C=1))=O)=C/C=2)
CPD-19998	CC2(/S(=O)(=O)C(\C(NC1(/C=CC(\[N+](=O)[O-])=C/C=1))=O)=C/C=2)
CPD-2	[Cs+]
CPD-20000	CC2(/S(=O)C(\C(NC1(/C=CC(\[N+](=O)[O-])=C/C=1))=O)=C/C=2)
CPD-20001	C1(CCOC(O1)CCSC3(OC(C2(/C=CC=CC=2))=NN=3))
CPD-20002	C1(CCOC(O1)CCS(=O)C3(OC(C2(/C=CC=CC=2))=NN=3))
CPD-20026	C[C@H]2([C@H](OP([O-])([O-])=O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)C=CO[C@]1(C)(C(=O)C5(\C(\O1)=C(C)/C(/[O-])=C3(C(/C(/O)=C(C(/NC(=O)C(\C)=C/C=C2)=C3/O)/C=NN4(CC[N+](C)CC4))=5))))
CPD-20029	C([N+])C(O)CC[N+]
CPD-20035	CN2(C(=N)C3(N=CN([C@@H]1(C[C@@H]([C@H](O1)COP([O-])([O-])=O)O))C(N=C2)=3))
CPD-20036	CN2(C(=N)C3(N=CN([C@@H]1(C[C@@H]([C@H](O1)COP(OP(OP([O-])(=O)[O-])([O-])=O)([O-])=O)O))C(N=C2)=3))
CPD-20067	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)2))NC(C)=O)
CPD-20069	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)2))[C@H](O)3))[C@H](O)4))NC(C)=O)
CPD-20070	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP([O-])(=O)O[C@H]1([C@@H]([C@H]([C@H](O)[C@H](O1)CO)O[C@@H]8(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]7(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]5(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)2))[C@H](O)3))[C@H](O)4))5))6))[C@H](O)7))[C@H](O)8))NC(C)=O)
CPD-201	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C1(/C=CC(\O)=C/C=1))=O)COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CPD-20103	C(\OC[C@@H](CO)[N+])=C/[C@@H](C(=O)[O-])[N+]
CPD-20104	C(OC[C@@H](CO)[N+])C[C@@H](C(=O)[O-])[N+]
CPD-20111	C(SCO)[C@H]([N+])C(=O)N[C@H]1([C@@H](O)[C@H](O)[C@@H](CO)O[C@H](O[C@@H](CC([O-])=O)C(=O)[O-])1)
CPD-20112	C(SC=O)[C@H]([N+])C(=O)N[C@H]1([C@@H](O)[C@H](O)[C@@H](CO)O[C@H](O[C@@H](CC([O-])=O)C(=O)[O-])1)
CPD-20117	C(O)[C@@H](O)[C@@H]2([C@H](O)[C@@H](O)[C@H](OC1(/C=CC(\[N+]([O-])=O)=C/C=1))O2)
CPD-202	C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7([C@H](O)C[C@H]4(C[C@H](O)CC[C@@](C)4[C@@H](C[C@H](O)[C@](C)56)7))))
CPD-20340	CC[C@@H](C(NCC(=O)[O-])=O)NC(CC[C@@H](C(=O)[O-])[N+])=O
CPD-20487	CC(/CCC=C(CC[CH]=O)C)=C/CCC(=O)C
CPD-20490	CC(/CCC=C(CCC=C(CCC=C(CC[CH]=O)C)C)C)=C/CCC(\C)=C/CCC(\C)=C/CCC(=O)C
CPD-20491	CC(/CCC=C(CCC=C(CC[CH]=O)C)C)=C/CCC(\C)=C/CCC(\C)=C/CCC(=O)C
CPD-20492	CC(/CCC=C(CCC=C(CC[CH]=O)C)C)=C/CCC(\C)=C/CCC(=O)C
CPD-20493	CC(/CCC=C(CC[CH]=O)C)=C/CCC(\C)=C/CCC(=O)C
CPD-20508	C1(C(\C([O-])=O)=C/C(\C([O-])=O)=C/[N+]=1[C@H]2(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)2))
CPD-20512	C=C(C(=O)[a LarE protein])N[a LarE protein]
CPD-20513	C1(C(\C(S)=O)=C/C(\C([O-])=O)=C/[N+]=1[C@H]2(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)2))
CPD-20518	C1(C(\C(S)=O)=C/C(\C(S)=O)=C/[N+]=1[C@H]2(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)2))
CPD-20546	CC(\C=CC(/O)=C1(C(CNC1=O)=O))=C/[C@@H](C)[C@H]3([C@@H](C)C4(C(=O)C[C@@]2(O[C@H](C)C(C([O-])=O)C2(O3)O4)(C)))
CPD-20548	C1(/C(\Br)=C/C(/Br)=C(C=1)/O)
CPD-20551	C1(\C(\Br)=C/C(/Br)=C(C(\Br)=1)/[O-])
CPD-20552	C2(\C(/C1(/C(/[O-])=C(C=C(Br)C=1)/Br))=C(C(\Br)=C/C(\Br)=2)/O)
CPD-20553	C2(Br)(=C(C1(\NC(/Br)=C(C(\Br)=1)/Br))NC(/Br)=C2/Br)
CPD-20554	C2(/C(\Br)=C/C(/Br)=C(C(\C1(\NC(/Br)=C(C(\Br)=1)/Br))=2)/[O-])
CPD-20559	C1(/C(\Br)=C/C(/Br)=C(C=1)/OC2(/C=C(Br)C(/O)=C(C=2)/Br))
CPD-20566	C1(\NC(/Br)=C(C(\Br)=1)/Br)
CPD-20568	C1(Br)(NC(/C([O-])=O)=C(C(/Br)=1)/Br)
CPD-20581	C2(/C(\Br)=C/C(/C1(/C(/O)=C(C=C(Br)C=1)/Br))=C(C=2)/O)
CPD-20584	C1(/C(\Br)=C/C(/Br)=C(C=1)/OC2(/C=CC(/O)=C(C=2)/Br))
CPD-20585	C1(/C(\Br)=C/C(/Br)=C(C=1)/OC2(/C(/[O-])=C(C=C(Br)C=2)/Br))
CPD-20587	C1(\C(\Br)=C/C(/Br)=C(C(\Br)=1)/OC2(/C=C(Br)C(/O)=C(C=2)/Br))
CPD-20594	C1(\C(/Br)=C(C(\O)=C/C(\Br)=1)/O)
CPD-20595	C1(\C(\Br)=C/C(/O)=C(C(\Br)=1)/OC2(/C=C(O)C(/O)=C(C=2)/Br))
CPD-20596	C1(\C(\Br)=C/C(/O)=C(C(\Br)=1)/OC2(/C(/O)=C(C=C(Br)C=2)/O))
CPD-20597	C2(\C(\Br)=C/C(/OC1(/C(/O)=C(C=C(Br)C=1)/O))=C(C(\Br)=2)/O)
CPD-20598	C2(\C(\Br)=C/C(/OC1(/C=C(O)C(/O)=C(C=1)/Br))=C(C(\Br)=2)/O)
CPD-2061	CCCI
CPD-20624	CC(\C=CC=C(C=CC1(/C(\C)=C/C=C(C)C(\C)=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(\C)=C/C=C(C)C(\C)=2))C)C
CPD-20625	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC1(/C(\C)=C/C=C(C)C(\C)=1))C)C
CPD-20626	CC(\C=CC=C(C=CC1(/C(\C)=C/C=C(C)C(\C)=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(C)(C)CCCC(\C)=2))C)C
CPD-20627	CC(\C=CC=C(C=CC=C(CCCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC1(/C(\C)=C/C=C(C)C(\C)=1))C)C
CPD-20628	CC(\C=CC=C(C=CC=C(CCCC(O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC2(/C(\C)=C(C)/C=CC(\C)=2))C)C
CPD-20629	CCCCCCCCCCCC(=O)OC[C@H]2([C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC1(/C(\C)=C(C)/C=CC(\C)=1))C)C)(C)C)O2)
CPD-20647	CC(\C=CC=C(C)C=CC1(/C(C)(C)CCCC(\C)=1))=C/C=CC=C(C)C=CC=C(C)CCC2(/C(C)(C)CCCC(\C)=2)
CPD-20664	CC(\C=CC=C(C)C=CC1(/C(C)(C)C(CC=C(C)CO)CCC(\C)=1))=C/C=CC=C(C)C=CC=C(C)C=CC2(/C(C)(C)C(CCC(\C)=2)CC=C(C)CO[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))
CPD-20665	CC(\C=CC=C(C)C=CC1(/C(C)(C)C(CC=C(C)CO)CCC(\C)=1))=C/C=CC=C(C)C=CC=C(C)C=CC2(/C(C)(C)C(CCC(\C)=2)CC=C(C)CO)
CPD-20670	CC(\C=CC=C(C)C=C[C@@H]1(C(C)(C)[C@H](CCC1=C)CC=C(C)CO))=C/C=CC=C(C)C=CC=C(C)C=C[C@@H]2(C(C)(C)[C@@H](CC=C(C)CO)CCC2=C)
CPD-20671	CC(\C=CC=C(C)C=CC1(C(C)(C)C(CC=C(C)CO)CC=C(C)1))=C/C=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)C(CC=C(C)2)CC=C(C)CO[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))
CPD-20672	CC(\C=CC=C(C)C=C[C@@H]1(C(C)(C)[C@@H](CC=C(C)CO)CCC1=C))=C/C=CC=C(C)C=CC=C(C)C=C[C@@H]2(C(C)(C)[C@H](CCC2=C)CC=C(C)CO[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))
CPD-20673	CC(\C=CC=C(C)C=CC1(C(C)(C)C(CCC1=C)CC=C(C)CO[C@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2)))=C/C=CC=C(C)C=CC=C(C)C=CC4(C(C)(C)C(CC=C(C)CO[C@@H]3([C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3))CCC4=C)
CPD-20674	CC(\C=CC=C(C=CC=C(C=CCC(O)(C)C)C)C)=C/C=CC=C(C=CC=C(C=CC1(/C(C)(C)CCC(=O)C(\C)=1))C)C
CPD-20681	CC(=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-20682	CC(O)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-20683	CC(OP([O-])([O-])=O)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-20684	CC=CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-20688	CC(O)CCC(=O)[O-]
CPD-20689	CC=CCC(=O)[O-]
CPD-207	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1(/C=CC=CC=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CPD-20702	CC(C)CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(CCOP(=O)(O[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@H]3(O[C@H](C(=O)[O-])[C@@H](O[C@@H]2(O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@@H](O)2))[C@H](O)[C@@H](O)3))O)O))[O-])C
CPD-20724	C(N=C2(NC(NC(=O)C(N)(CC1(/C=CC(\O)=C/C=1))2)=O))[C@H](O)[C@H](O)[C@H](O)CO
CPD-20746	CC(C([O-])=O)NC(=O)C(NC(=O)C)CCCCNC(C)=O
CPD-20749	C[C@H](NC(=O)[C@@H](C)O[C@H]1([C@H]([C@H](O[C@@H]([C@@H](O)1)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))NC(C)=O))C(=O)N[C@@H](CCC([O-])=O)C(=O)[O-]
CPD-20750	C[C@H]([N+])C(=O)N[C@@H](CCC(N[C@@H](CCCC[N+])C(=O)N[C@H](C)C([O-])=O)=O)C([O-])=O
CPD-20753	C[C@@H](O)[C@@H](C([O-])=O)NC(=O)[C@@H]([N+])CC[C@@]1(O)(C(=O)NC1)
CPD-20754	C1(NC(=O)[C@@](O)1CC[C@H]([N+])C(=O)[O-])
CPD-20758	CC(=O)N[C@@H](CC[C@@]1(O)(C(=O)NC1))C(=O)[O-]
CPD-20759	[C-]#[N+][C@H](C(=O)[O-])CC1(/C=CC(\O)=C/C=1)
CPD-20762	[C-]#[N+]C1(/C(=O)OC2(C=C(C(\O)=C/C(C=1)=2)O))
CPD-20766	[C-]#[N+][C@@H](CC1(/C2(\C=CC=CC(/NC=1)=2)))C(=O)[O-]
CPD-20768	[C-]#[N+]C=CC1(C=CC(\O)=C/C=1)
CPD-20769	[C-]#[N+]C=CC1(/C2(\C=CC=CC(/NC=1)=2))
CPD-20770	[C-]#[N+]C(/C([O-])=O)=C/C1(C=CC(\O)=C/C=1)
CPD-20771	C[C@H]2(O[C@H](OC1(/C=CC(C=C[N+]#[C-])=CC=1))[C@@H](O)[C@H](O)[C@H](NC(C)=O)2)
CPD-20795	CC(C)=CCCC(/C)=C/CC1(C=C[N+]#[C-])(C=NC2(\C=CC=CC/1=2))
CPD-20797	C=C[C@]1(C)(CC[C@@H]2([C@H]([C@@H]([N+]#[C-])1)C3(/C4(\C=CC=CC(/NC(\C(C)(C)2)=3)=4))))
CPD-208	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C[C@@H](C([O-])=O)O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-20802	C=C[C@]3(C)(CC[C@@H]([C@@H](C1(/C2(/C(\NC=1)=C/C=CC=2)))[C@@H]([N+]#[C-])3)C(C)=C)
CPD-20803	C=C[C@]1(C)([C@H](Cl)C[C@@H]2([C@H]([C@@H]([N+]#[C-])1)C3(/C4(\C=CC=CC(/NC(\C(C)(C)2)=3)=4))))
CPD-20804	C=C[C@]3(C)([C@H](Cl)C[C@@H]([C@@H](C1(/C2(/C(\NC=1)=C/C=CC=2)))[C@@H]([N+]#[C-])3)C(C)=C)
CPD-20810	C=C[C@@]4(C)([C@]1(N=C=S)(C(=O)[C@@H](C(C)(C)[C@@H]2(C(NC3(/C=CC=C1C/2=3))=O))C[C@@H](Cl)4))
CPD-20811	C=C[C@@]4(C)([C@]1(N=C=S)(C(=O)[C@@H](C(C)(C)[C@@H]2(C(N(C)C3(/C=CC=C1C/2=3))=O))C[C@@H](Cl)4))
CPD-20812	C=C[C@@]4(C)([C@]1(N=C=S)(C(=O)[C@@H](C(C)(C)[C@@H]2(C(NC3(/C=CC=C1C/2=3))=O))C=C(Cl)4))
CPD-20813	C=C[C@@]4(C)([C@]1(N=C=S)(C(=O)[C@@H](C(C)(C)[C@@H]2(C(N(C)C3(/C=CC=C1C/2=3))=O))C=C(Cl)4))
CPD-20821	C[C@@H]1([C@@H](NC(=O)C)[C@@H](O)[C@H](O)[C@@H](O1)OP(OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)
CPD-20826	C(OP([O-])(=O)[O-])[C@H]3([C@H]([C@@H](O)[C@H](N1(C=NC2(C\1=C(N)/N=CN=2)))O3)O)
CPD-20827	C[C@@H](OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)OC2(/C=CC=CC=2)))CNC(=O)CC[C@@]3([C@@H](CC(N)=O)[C@H]4([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C5(C(\C)=C%10([C@@](CC(=O)N)([C@H](CCC(N)=O)C9(C=C8(C(C)(C)[C@H](CCC(N)=O)C7(C(\C)=C3/N4[Co--]([N+]=56)([N+]=78)([N+]=9%10)C[C@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(C=NC%13(/C%12=NC=NC(/N)=%13)))O)))))C)))))(C)
CPD-20828	CC%13(/C=CC(\O[C@@H]%12(O[C@H](COP([O-])(=O)[O-])[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C8([C@@](CC(=O)N)([C@H](CCC(N)=O)C7(C=C6(C(C)(C)[C@H](CCC(N)=O)C5(C(\C)=C1/N2[Co--]([N+]=34)([N+]=56)([N+]=78)C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O)))))C)))))(C))[C@@H](O)%12))=C/C=%13)
CPD-20829	C(OP([O-])(=O)[O-])[C@H]3([C@H]([C@@H](O)[C@@H](N1(C=NC2(\C=CC=CC/1=2)))O3)O)
CPD-20830	C(OP([O-])(=O)[O-])[C@H]3([C@H]([C@@H](O)[C@@H](N1(C=NC2(\C=C(O)C=CC/1=2)))O3)O)
CPD-20831	COC1(/C=CC2(/N(C=NC(\C=1)=2)[C@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD-20832	CC1(/C(\OC)=C/C2(/N=CN(C(\C=1)=2)[C@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD-20833	C[C@@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N2(C%15(/C(\[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=C/C=CC=%15))))
CPD-20836	CC%14(\C=C%13(N%12([C@@H]%15(O[C@H](COP([O-])(=O)[O-])[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C8([C@@](CC(=O)N)([C@H](CCC(N)=O)C7(C=C6(C(C)(C)[C@H](CCC(N)=O)C5(C(\C)=C1/N2[Co---]([N+]=34)([N+]=56)([N+]=78)(C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O))[N+](=C%12)C/%13=C/C(\OC)=%14))))C)))))(C))[C@@H](O)%15))))
CPD-20838	CC1(/C=CC2(/N(C=NC(\C=1)=2)[C@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD-20839	CC%13(/C=CC%14(/N%12([C@@H]%15(O[C@H](COP([O-])(=O)[O-])[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C8([C@@](CC(=O)N)([C@H](CCC(N)=O)C7(C=C6(C(C)(C)[C@H](CCC(N)=O)C5(C(\C)=C1/N2[Co---]([N+]=34)([N+]=56)([N+]=78)(C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O))[N+](=C%12)C(\C=%13)=%14))))C)))))(C))[C@@H](O)%15))))
CPD-20846	CC%13(/C=CC%14(/N%12([C@@H]%15(O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1([C@@H](CC(N)=O)[C@H]2([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C3(C(\C)=C8([C@@](CC(=O)N)([C@H](CCC(N)=O)C7(C=C6(C(C)(C)[C@H](CCC(N)=O)C5(C(\C)=C1/N2[Co---]([N+]=34)([N+]=56)([N+]=78)(C[C@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(C=NC%11(/C%10=NC=NC(/N)=%11)))O))[N+](=C%12)C(\C=%13)=%14))))C)))))(C))[C@@H](O)%15))))
CPD-20849	C[C@@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](CO)1)N2(C%15(\C=CC(\O)=C/C(/[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=%15))))
CPD-20851	CC3(N=C2(N=CN([C@@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1))C/2=C(N)/N=3))
CPD-20852	C[C@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N2(C%15(\C(N)=NC(C)=NC(/[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=%15))))
CPD-20853	C[C@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](CO)1)N2(C%15(\C(N)=NC(C)=NC(/[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=%15))))
CPD-20855	C[C@@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N2(C%15(\C=CC(\O)=C/C(/[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=%15))))
CPD-20856	C[C@H]3(OP([O-])(=O)O[C@@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N2(C%15(\C(N)=NC=NC(/[N+](=C2)[Co---]78%10([N+]5(=C4(C(\C)=C%11([C@@](CC(=O)N)([C@H](CCC(N)=O)C(C=C9(C(C)(C)[C@H](CCC(N)=O)C(C(\C)=C6([C@@](CCC(NC3)=O)([C@@H](CC(N)=O)[C@H]([C@@](C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)4)5)N67)C))=[N+]89))=[N+]%10%11)C))))(C[C@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(C=NC%14(/C%13=NC=NC(/N)=%14)))O)))=%15))))
CPD-20866	C(C[N+])C(O)C([O-])=O
CPD-20867	C([C@H]1(CC[N+]1))([O-])=O
CPD-20890	C4(/C=CC(\[P+](C1(/C=CC=CC=1))(C2(/C=CC=CC=2))C3(/C=CC=CC=3))=C/C=4)
CPD-20894	CC3(C=C(N)C4(C(\[N+](CCCCCCCCCC[N+]1(C2(/C(C(\N)=C/C(C)=1)=CC=CC=2)))=3)=C/C=CC=4))
CPD-20898	C[C@H]6([C@@H](O[C@H](C[C@@H]5(O[C@@]1([C@H](C)C[C@](C)(O1)[C@@H]4(CC[C@]([C@H]3(O[C@@H]([C@@H]2(O[C@](CO)(O)[C@H](C)C[C@H](C)2))C[C@H](C)3))(C)O4))([C@H](C)[C@H](OC)C5)))CC6)[C@@H](C)C(O)=O)
CPD-20899	CC(C)[C@@H]1(NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](C)OC(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](NC(=O)[C@H](C)OC(=O)1)C(C)C)
CPD-209	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCCC[N+])C([O-])=O)NC(=O)[C@@H](C)O[C@@H]1([C@H](O)[C@@H](CO)O[C@@H]([C@H](NC(=O)C)1)OP(OP(OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))([O-])=O)([O-])=O)
CPD-20903	C[C@@H](O)CNC(=O)CC[C@]2(C)([C@@H](CC(=O)N)[C@H]4([C@@]8(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(=[N+]([Co--]35([N+]1(C(\C(C)(C)[C@H](CCC(N)=O)C=1C(\C)=C2/N34)=C/C6([C@@H](CCC(N)=O)[C@](C)(CC(N)=O)C(/[N+]5=6)=C(C)/7))))8))))
CPD-20908	CC3(/C8([C@@H](CCC([O-])=O)[C@](C)(C)C5(/[N+]([Co--]26([N+]4(=C([C@H]([C@]([C@@]([C@H]1([C@@H]([C@](CCC([O-])=O)(C)C(/N12)=3)CC([O-])=O))(C)4)(C)CC(N)=O)CCC(=O)[O-])C(\C)=C7([C@@](C)(CC(N)=O)[C@@H](C(C=5)=[N+]67)CCC([O-])=O))))=8))).[a [corrinoid adenosyltransferase]H]
CPD-20909	CC3(/C8([C@@H](CCC([O-])=O)[C@](C)(C)C5(/[N+]([Co---]26([N+]4(=C([C@H]([C@]([C@@]([C@H]1([C@@H]([C@](CCC([O-])=O)(C)C(/N12)=3)CC([O-])=O))(C)4)(C)CC(N)=O)CCC(=O)[O-])C(\C)=C7([C@@](C)(CC(N)=O)[C@@H](C(C=5)=[N+]67)CCC([O-])=O))))=8))).[a [corrinoid adenosyltransferase]H]
CPD-20920	C2(/C=CC(\NC(C1(\C(/Cl)=C(C(/Cl)=C(C(\O)=1)/Cl)/Cl))=O)=C/C=2)
CPD-20921	C=C1(CCO[C@]2(C(=O)N[C@@](O)1C(=O)N2)([C@@H](O)[C@](O)(C)CO))
CPD-20966	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])O[C@@H]1([C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)
CPD-20969	C1(N)(=C(N)C(=O)NC(=O)N1)
CPD-21000	C[C@H]2([C@H](N=C(C1(\C=CC=CC(/O)=1))O2)C(N(O)CCC3(/NC=NC=3))=O)
CPD-21001	C1(/N=CNC(\CCNO)=1)
CPD-21007	C(NC(=[N+])N)CC[C@@H](C(=O)N[C@@H](CO)C(=O)[O-])NC(=O)C1(/C(/O)=C(C=CC=1)/O)
CPD-21009	CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCC(N1(C(=O)CCC(C([O-])=O)(O)1))C([O-])=O)=O)=O
CPD-21010	CCCCCCCCCC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCC(N1(C(=O)CCC(C([O-])=O)(O)1))C([O-])=O)=O)=O
CPD-21011	CCCCCCCCCC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCC([N+])C([O-])=O)=O)=O
CPD-21012	CCCCCCCCCC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC([O-])=O)=O
CPD-21013	CCCCCCCCCC(=O)N(O)CCC[N+]
CPD-21015	CCN1(C=C(C(O)=O)C(=O)C3(/C\1=C/C(/N2(CCNCC2))=C(C=3)/F))
CPD-21017	CCCCCCCC=CC(=O)N(O)CCC[N+]
CPD-21019	CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC([O-])=O)=O
CPD-21020	CCCCCCCC=CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC(NCCC([N+])C([O-])=O)=O)=O
CPD-21021	CCCCCC=CC(=O)N(CCCNC(=O)CC(CC(NCCCN(C(C=CCCCCC)=O)O)=O)(C([O-])=O)O)O
CPD-21026	CCCCCC=CC(=O)N(CCCNC(=O)CC(CC([O-])=O)(C([O-])=O)O)O
CPD-21027	CCCCCC=CC(=O)N(CCC[N+])O
CPD-21028	CC(=O)N(O)CCCNC(CC(O)(C([O-])=O)CC([O-])=O)=O
CPD-21035	CCCCCCCCCCCCCC(CC(NCC(=O)[O-])=O)O
CPD-21047	C(=O)(NCCC[C@@H]([N+])C(=O)[O-])CC(O)(C([O-])=O)CC(=O)[O-]
CPD-21056	CN1(C(=O)N=C2(N(C)N=CN=C(C(=O)1)2))
CPD-21062	CN1(C(=O)NC2(=NN=CN=C(C(=O)1)2))
CPD-21063	C1(N=C2(C(=O)NC(=O)NC(=NN=1)2))
CPD-21067	CN1(N=CN=C2(C(=O)NC(=O)N=C12))
CPD-21072	CCCC(C)(CC(=O)[O-])O
CPD-21073	CCCC(/C)=C/C(=O)[O-]
CPD-21074	CCCC(/C)=C/C(N[C@H](C([O-])=O)CCC(N)=O)=O
CPD-21075	CCCC(C)(CC(N[C@H](C([O-])=O)CCC(N)=O)=O)O
CPD-21078	CCCC(C)(S)CCO
CPD-21083	C(C[N+]C(C(=O)[O-])CC([O-])=O)[N+]C(C(=O)[O-])CC([O-])=O
CPD-21084	C(N)(=O)CC[C@@H](C(=O)[O-])NC(=O)OCC1(/C=CC=CC=1)
CPD-21107	CCCC(SC[C@@H](C(NCC([O-])=O)=O)[N+])(C)CCO
CPD-21108	CCCC(SC[C@@H](C([O-])=O)[N+])(C)CCO
CPD-21110	CC(C(S)C)CO
CPD-21119	CC(CO)C(C)SC[C@H]([N+])C([O-])=O
CPD-21126	C(C1(/C=CC=CC=1))SC[C@@H](C([O-])=O)[N+]
CPD-21128	C(C1(/C=CC=CC=1))S
CPD-21137	C(C1(/C=CC=CC=1))SC[C@@H](C(NCC([O-])=O)=O)[N+]
CPD-21304	C1(=NNC2(/NC(=O)NC(=O)C/1=2))
CPD-21340	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(OP(=O)([O-])[O-])(=O)[O-]
CPD-21359	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]%11([C@H]([C@@H](O[C@H](CO[C@@]%10(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@@H]8(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@H]7(O[C@H]([C@@H](CO[C@@H]1(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)1))O)[C@@H](OP([O-])(=O)[O-])[C@H](O[C@@H]6(O[C@H](CO[C@@H]2(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)2))[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]5(O[C@H](CO[C@@H]4(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)4))[C@H](O)[C@H](O)[C@@H](O)5)))[C@@H](O)6))[C@H](O)7))[C@H](O)8))[C@H](O[C@@]9(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C9)C(=O)[O-])C%10))[C@H]%11OP([O-])([O-])=O)OC[C@H]%12([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O%12))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD-21372	[C@H]1([C@H](Cl)[C@H]([C@@H](Cl)[C@H](Cl)[C@H]1Cl)Cl)(Cl)
CPD-21373	[C@@H]1([C@H]([C@H](Cl)[C@H](O)[C@@H]([C@@H](Cl)1)Cl)Cl)(Cl)
CPD-21376	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(/C=C(O)C(\O)=C/C=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
CPD-21378	C2(/[N+]=CN([C@H]1(O[C@H](CO)[C@@H](O)[C@@H](O)1))C(\N)=2)
CPD-21406	CC(=O)N[C@@H]2([C@H](O)O[C@H](COC1(O[C@H](CO[R1])[C@@H](O)[C@H](O)[C@@H]([N+])1))[C@@H](O)[C@H](O)2)
CPD-21407	CC(=O)N[C@@H]3([C@H](O[R2])O[C@H](CO[C@H]2(O[C@H](CO[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]([N+])1))[C@@H](O)[C@H](O)[C@@H](NC(C)=O)2))[C@@H](O)[C@H](O)3)
CPD-21409	CC(=O)N[C@@H]5([C@H](O[R2])O[C@H](CO[C@H]4(O[C@H](CO[C@H]3(O[C@H](CO[C@H]2(O[C@H](CO[C@H]1(O[C@H](CO[R1])[C@@H](O)[C@H](O)[C@@H]([N+])1))[C@@H](O)[C@H](O)[C@@H](NC(C)=O)2))[C@@H](O)[C@H](O)[C@@H]([N+])3))[C@@H](O)[C@H](O)[C@@H](NC(C)=O)4))[C@@H](O)[C@H](O)5)
CPD-21411	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H]1([C@H](O)CC[C@]2(C)(C(=O)CC[C@@H]12)))COP(=O)(OP(=O)(OC[C@H]3([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O3)N4(C5(N=CN=C(C(N=C4)=5)N))))[O-])[O-]
CPD-21412	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C2(/[C@H](O)CC[C@]1(C)(C(=O)CCC\1=2)))COP(=O)(OP(=O)(OC[C@H]3([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O3)N4(C5(N=CN=C(C(N=C4)=5)N))))[O-])[O-]
CPD-21413	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C2(/C(=O)CC[C@]1(C)(C(=O)CCC\1=2)))COP(=O)(OP(=O)(OC[C@H]3([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O3)N4(C5(N=CN=C(C(N=C4)=5)N))))[O-])[O-]
CPD-21414	C[C@H]4(CCC(=O)C(\C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=C(CCC(=O)[O-])/4)
CPD-21415	CC(C(=O)CCC(=O)[O-])CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-21416	CC(C(=O)CCC(=O)[O-])CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-21417	CC(C(=O)CCC(=O)[O-])C=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPD-21427	C([C@H]3([C@@H](O)[C@@H](O)[C@H](N2(C1(=NC=NC(/N)=C1/N=C2)))O3))OP([O-])(=O)O[C@@H]6([C@@H](O)[C@H](N5(C4(=NC=NC(/N)=C4/N=C5)))O[C@H](COP([O-])([O-])=O)6)
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CPD-21465	CC(\C[C@@H]1(C(=O)C(\O)=C(CC=C[C@H]([C@H](C)O)C)/CO1))=C/C(OCCCCCCCCC([O-])=O)=O
CPD-21466	CC(\C[C@@H]1([C@H](O)C(=O)[C@@H](CC=C[C@H]([C@H](C)O)C)CO1))=C/C(OCCCCCCCCC([O-])=O)=O
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CPD-21492	C1(/C=CC2(/NC=C(C[C@@H](O)C(=O)[O-])C(\C=1)=2))
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CPD-21608	C(O)[C@@H]3(O[C@@H](C1(/C=C(C(=O)N[C@@H](CO)C([O-])=O)C2(/O[Fe+]OC(\C=1)=2)))[C@H](O)[C@@H](O)[C@H](O)3)
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CPD-217	C(C[N+])C[C@@H]([N+])C([O-])=O
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CPD-21736	CC(C)CCC[C@@H](C)[C@@H]2(CC[C@@H]3(C4(/CC[C@@H]1([C@](C([O-])=O)(C)[C@@H](O)CC[C@@](C)1C(/CC[C@](C)23)=4))))
CPD-21754	C1(\C=C(C(\OS(=O)(=O)[O-])=C/C(\[N+]([O-])=O)=1)O)
CPD-21772	CCCCC(CC)[CH]=O
CPD-21781	C(O)[C@@H](NC(=O)C(Cl)Cl)[C@@H](C1(/C=CC(\N)=C/C=1))O
CPD-21782	C(=O)([O-])C(=O)C[C@]1(C(=O)[O-])(C=C[C@@H]([N+])C=C1)
CPD-21783	C(=O)([O-])C(CC1(/C=CC(\N)=C/C=1))=O
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CPD-21795	C(O)[C@@H]([N+])[C@H](O)C1(/C=CC(\N)=C/C=1)
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CPD-21801	CC(\CCC1(/OC(\O)=C(C)/C(C(\C)=1)=O))=C/C(/C)=C/C2(C=CC(\[N+](=O)[O-])=C/C=2)
CPD-21806	CC(\C=C(C)C=C2(C[C@H](C1(/OC(OC)=C(C)C(C(\C)=1)=O))OC2))=C/C(/C)=C/C3(C=CC(\[N+](=O)[O-])=C/C=3)
CPD-21835	CC(\CCC1(/OC(\O)=C(C)/C(C(\C)=1)=O))=C/C(/C)=C/C(/C)=C/C(/C)=C/C2(C=CC(\[N+](=O)[O-])=C/C=2)
CPD-21836	CC(\CCC1(/OC(OC)=C(C)C(C(\C)=1)=O))=C/C(/C)=C/C(/C)=C/C(/C)=C/C2(C=CC(\[N+](=O)[O-])=C/C=2)
CPD-21840	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1(/C=CC(\[N+]([O-])=O)=C/C=1))COP(=O)(OP(=O)(OC[C@@H]2(O[C@H]([C@@H]([C@@H]2OP([O-])(=O)[O-])O)N3(C4(N=CN=C(N)C(N=C3)=4))))[O-])[O-]
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CPD-21874	C1(C(\C(=O)[O-])=C/[C@@H](O)[C@@H](O)[C@@H]1[N+])
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CPD-219	C([N+])CCC[C@@H]([N+])C([O-])=O
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CPD0-937	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]9([C@H]([C@@H](O[C@H](CO[C@@]8(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@@H]6(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@H]5(O[C@H]([C@@H](CO[C@@H]1(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)1))O)[C@@H](OP([O-])(=O)[O-])[C@H](O[C@@H]4(O[C@H](CO[C@@H]2(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)2))[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))[C@@H](O)4))[C@H](O)5))[C@H](O)6))[C@H](O[C@@]7(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C7)C(=O)[O-])C8))[C@H]9OP([O-])([O-])=O)OC[C@H]%10([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O%10))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD0-938	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]%10([C@H]([C@@H](O[C@H](CO[C@@]9(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@@H]7(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@H]6(O[C@H]([C@@H](CO[C@@H]1(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)1))O)[C@@H](OP([O-])(=O)[O-])[C@H](O[C@@H]5(O[C@H](CO[C@@H]2(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)2))[C@@H](O)[C@H](O[C@@H]4(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))4))[C@@H](O)5))[C@H](O)6))[C@H](O)7))[C@H](O[C@@]8(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C8)C(=O)[O-])C9))[C@H]%10OP([O-])([O-])=O)OC[C@H]%11([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O%11))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD0-939	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]%12([C@H]([C@@H](O[C@H](CO[C@@]%11(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@@H]9(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@H]8(O[C@H]([C@@H](CO[C@@H]1(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)1))O)[C@@H](OP([O-])(=O)[O-])[C@H](O[C@@H]7(O[C@H](CO[C@@H]2(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)2))[C@@H](O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]6(O[C@H](CO[C@@H]4(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)4))[C@H](O)[C@H](O)[C@@H](O[C@@H]5(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)5))6)))[C@@H](O)7))[C@H](O)8))[C@H](O)9))[C@H](O[C@@]%10(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C%10)C(=O)[O-])C%11))[C@H]%12OP([O-])([O-])=O)OC[C@H]%13([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O%13))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD1F-114	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C)C=CC=C(C)C=CC=C(CCC=C(C)C)C
CPD1F-126	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(C=CC1(/C(C)(C)CCCC(\C)=1))C)C
CPD1F-129	CC(\C=CC=C(C=CC1(/C(C)(C)CCCC(\C)=1))C)=C/C=CC=C(C=CC=C(C=CC2(/C(C)(C)CCCC(\C)=2))C)C
CPD1F-130	CC(\C=CC=C(C=CC1(/C(C)(C)C[C@@H](CC(\C)=1)O))C)=C/C=CC=C(C=CC=C(C=CC2(/C(C)(C)C[C@@H](CC(\C)=2)O))C)C
CPD1F-437	C4(\C=C(O)C(\O)=C/C(\C2(\OC3(\C=C([O-])C=C(O)C(/C(=O)C(\O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))=2)=3)))=4)
CPD1F-98	CC(C)=CCCC(/C)=C/CCC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C
CPD1G-0	C(O)[C@H]2([C@H]([C@@H]([C@@H]([N+])[C@@H](O[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1))O2)O)O)
CPD1G-105	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)[C@H](O)CCCCCCCCCCCCCCCCCC2(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C2)
CPD1G-106	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)[C@H](O)CCCCCCCCCCCCCCCC2(CC2C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
CPD1G-107	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)2)
CPD1G-108	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@@H]1(O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)1)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C))[C@H](O)CCCCCCCCCCCCCCCCC2(CC2C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
CPD1G-120	C(O)[C@H]2([C@H]([C@@H]([C@@H](NC(=O)[C@@H]([N+])CS)[C@@H](O[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1))O2)O)O)
CPD1G-130	CC3(/C(=O)N4(C(=O)C(\C)=C(CSC[C@H](NC(C)=O)C(=O)N[C@@H]2([C@@H](O[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1))O[C@@H]([C@H]([C@@H]2O)O)CO))/N(C(\C)=3)4))
CPD1G-1344	CCCCCCCCCCCCCCCCCCCCCCCCCCC([C@H](O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OC[C@@H]3(O[C@@H]([C@@H]([C@H]([C@@H]3O)O)O)O[C@H]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O))
CPD1G-1345	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
CPD1G-1346	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
CPD1G-1353	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)
CPD1G-1354	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]2([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1))O2))[C@H](O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
CPD1G-185	CC2(/C(N1(N(C(\CSC[C@H](NC(C)=O)C(=O)[O-])=C(C)/C(=O)1)C(\C)=2))=O)
CPD1G-2	CC(=O)N[C@@H](CS)C(=O)N[C@@H]2([C@@H](O[C@@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1))O[C@@H]([C@H]([C@@H]2O)O)CO)
CPD1G-277	CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC([C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1([C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O1)N2(C=NC3(C(N)=NC=NC2=3))))=O
CPD1G-332	CCCCCCCCCCCCCCCCCCCCCCCCC(C([O-])=O)C(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O
CPD1G-69	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(O[C@H]1([C@@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1))(=O)[O-]
CPD1G-768	CCCCCCCCCCCCCCCCCCCCCCCCCCC([C@H](O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OC[C@@H]3(O[C@@H]([C@@H]([C@H]([C@@H]3O)O)O)O[C@H]4([C@@H]([C@H]([C@@H]([C@H](O4)COP([O-])(=O)[O-])O)O)O))
CPD1G-771	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)[O-])O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCCCC3(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C3)
CPD1G-772	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)[O-])O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
CPD1G-773	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)[O-])O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3)
CPD1G-774	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]2([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@H]1([C@H](O)[C@@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O1))O2))[C@H](O)CCCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
CPD1G-83	CCCCCCCCCCCCCCCCCCCCCCCCCCC([C@H](O)CCCCCCCCCCCCCCCC2(CC(CCCCCCCCCCC1(CC(CCCCCCCCCCCCCCCCCC)1))2))C(=O)OC[C@@H]3(O[C@@H]([C@@H](O)[C@@H](O)[C@H](O)3)OP(=O)([O-])OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(CCC=C(C)CCC=C(C)CCC=C(C)C)C)
CPD1G-852	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@H]3([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@H]2([C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC1(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C1))O2))O3))=O)C(O)CCCCCCCCCCCCCCCCCC4(C(CCCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)C4)
CPD1G-853	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCC3(CC3C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC))O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCC4(CC4C(C)CCCCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCCCCCC)
CPD1G-854	CCCCCCCCCCCCCCCCCCCCCCCCC(C(OC[C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCCCCC3(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)3))O)O)O)))=O)[C@H](O)CCCCCCCCCCCCCCCCCCCC4(CC(CCCCCCCCCCCCCCCCC(=O)C(CCCCCCCCCCCCCCCCCC)C)4)
CPD1G-855	CCCCCCCCCCCCCCCCCCCCCCCCCCC(C(=O)OC[C@H]3([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O[C@H]2([C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(=O)C(CCCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CCCCCCCCCCCCCCCCC1(CC1C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC))O2))O3))[C@H](O)CCCCCCCCCCCCCCCCC4(CC4C(C)CCCCCCCCCCCCCCCCC(=O)C(C)CCCCCCCCCCCCCCCCC)
CPD1UA-41	CCCCCCCC(C1(C(=O)OCC(COP([O-])([O-])=O)=1))=O
CPD1UA-42	CCC(C)CCCCC(C1(C(=O)OCC(COP([O-])([O-])=O)=1))=O
CPD1UA-44	CCCCCCCC(C1([C@H](COP([O-])([O-])=O)COC(=O)1))=O
CPD1UA-45	CCC(C)CCCCC(C1([C@H](COP([O-])([O-])=O)COC(=O)1))=O
CPD1UA-57	CCC(C)CCCCC(CC(=O)OCC(=O)COP([O-])(=O)[O-])=O
CPD1UA-58	CCCCCCCC(CC(=O)OCC(=O)COP([O-])(=O)[O-])=O
CPD3O-4151	C1(/C(\CCO)=C/C=C(C=1)O)
CPD490-7	CC(C(O)[C@@H]1(CNC2(\N=C(N)NC(C(\N1)=2)=O)))O[C@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3)
CPD66-28	CC(=O)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(CC(=O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
CPD66-29	C[C@]13(CCC(=O)CC/1=C/C[C@@H]2([C@H]4(CCC(=O)[C@](CC[C@@H]23)(C)4)))
CPD8J2-1	CC(N[C@@H]1([C@@H](O[C@@H](CC([O-])=O)C([O-])=O)O[C@@H]([C@H]([C@@H]1O)O)CO))=O
CPD8J2-2	C([C@H]1([C@H]([C@@H]([C@H]([C@@H](O[C@@H](CC([O-])=O)C([O-])=O)O1)[N+])O)O))O
CPD8J2-3	C(S)[C@H]([N+])C(=O)N[C@H]1([C@@H](O)[C@H](O)[C@@H](CO)O[C@H](O[C@@H](CC([O-])=O)C(=O)[O-])1)
CPDMETA-13643	C[C@H]1(CCC3(C(\C([O-])=O)=C/C2([C@@H](O)[C@](C)(C)CC123)))
CPDMETA-13650	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(CC=CC[CH]=O)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CPDMETA-13651	C[C@@H]3([C@H](C=O)[C@H]2(C4([C@@H](OC(=O)C)C15(C6(/C(\N=C1[C@H](C2)N3[C@H]4C5)=C/C=CC=6)))))
CPDMETA-13652	C[C@@H]3([C@H](CO)[C@H]2(C4([C@@H](OC(=O)C)C15(C6(/C(\N=C1[C@H](C2)N3[C@H]4C5)=C/C=CC=6)))))
CPDN-385	C1(/C=CC(O)=C(C=CC(=O)C(=O)[O-])C=1)
CPDQT-27	CSCCCCC(=O)C([O-])=O
CPDQT-28	CSCCCCCC(=O)C([O-])=O
CPDQT-29	CSCCCCCCC(=O)C([O-])=O
CPDQT-30	CSCCCCCCCC(=O)C([O-])=O
CPDQT-31	CSCCCC(O)(CC([O-])=O)C(=O)[O-]
CPDQT-32	CSCCCCC(O)(CC([O-])=O)C(=O)[O-]
CPDQT-33	CSCCCCCC(O)(CC([O-])=O)C(=O)[O-]
CPDQT-34	CSCCCCCCC(O)(CC([O-])=O)C(=O)[O-]
CPDQT-340	CSCCCC[C@H]([N+])C(=O)[O-]
CPDQT-35	CSCCCCCCCC(O)(CC([O-])=O)C(=O)[O-]
CPDQT-36	C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]
CPDQT-37	CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-38	CSCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-39	CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-4	C(O)[C@@H]1([C@@H](O)[C@@H](O)[C@H](O)[C@@H](OP([O-])([O-])=O)O1)
CPDQT-40	CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-41	CSCCCCCCCCC(=O)C([O-])=O
CR+3	[Cr+++]
CREATINE	C(C(=O)[O-])N(C)C(N)=[N+]
CREATINE-P	C(C(=O)[O-])N(C)C(NP(=O)([O-])[O-])=[N+]
CROTONOBETAINYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C=CC[N+](C)(C)C)=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
CROTONYL-COA	CC=CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(N=CN=C(N)C(N=C2)=3))))[O-])[O-])=O
CTP	C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(N)=NC(=O)2))
CU+	[Cu+]
CU+2	[Cu++]
CYANURIC-ACID	C1(O)(=NC(O)=NC(O)=N1)
CYCLOHEXANOL	C1(CCC(CC1)O)
CYCLOHEXANONE	C1(CCC(CC1)=O)
CYCLOPENTANOL	C1(CCC(C1)O)
CYCLOPENTANONE	C1(CCC(C1)=O)
CYS	C(S)[C@@H](C(=O)[O-])[N+]
CYS-GLY	C(C([O-])=O)NC([C@H](CS)[N+])=O
CYSTAMINE	C(CSSCC[N+])[N+]
CYSTINE	C([C@@H](C(=O)[O-])[N+])SSC[C@@H](C([O-])=O)[N+]
CYTIDINE	C([C@H]2([C@H]([C@H]([C@H](N1(C(N=C(C=C1)N)=O))O2)O)O))O
CYTOSINE	C1(/NC(=O)N=C(N)C=1)
CoM	C(CS)S(=O)(=O)[O-]
D-6-P-GLUCONO-DELTA-LACTONE	C(OP([O-])(=O)[O-])[C@H]1([C@@H](O)[C@H](O)[C@@H](O)C(=O)O1)
D-ALA-D-ALA	C[C@@H]([N+])C(=O)N[C@H](C)C([O-])=O
D-ALANINE	C[C@@H]([N+])C([O-])=O
D-ALLOSE-6-PHOSPHATE	C(OP([O-])(=O)[O-])[C@H](O)[C@H](O)[C@H](O)[C@H](O)[CH]=O
D-ALLULOSE-6-PHOSPHATE	C(OP(=O)([O-])[O-])[C@H](O)[C@H](O)[C@H](O)C(=O)CO
D-ALTRONATE	C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
D-BETA-D-HEPTOSE-1-P	C([C@H]([C@@H]1(O[C@H]([C@H]([C@H]([C@@H]1O)O)O)OP([O-])(=O)[O-]))O)O
D-BETA-D-HEPTOSE-17-DIPHOSPHATE	C(OP([O-])(=O)[O-])[C@@H](O)[C@H]1([C@@H](O)[C@H](O)[C@H](O)[C@H](OP([O-])(=O)[O-])O1)
D-CARNITINE	C[N+](C[C@@H](O)CC(=O)[O-])(C)C
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P	C1(/NC=NC(\[C@@H]([C@H](O)COP(=O)([O-])[O-])O)=1)
D-ERYTHRULOSE	C(O)[C@@H](O)C(=O)CO
D-GALACTARATE	C(=O)([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
D-GALACTONATE	C(O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
D-GALACTONO-1-4-LACTONE	C(O)[C@@H](O)[C@@H]1([C@H](O)[C@@H](O)C(=O)O1)
D-GLT	C(CC[C@H](C(=O)[O-])[N+])([O-])=O
D-GLUCARATE	C(=O)([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])[O-]
D-LACTATE	C[C@H](C([O-])=O)O
D-LACTOYL-COA	C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
D-MANNONATE	C(O)[C@H]([C@@H](O)[C@H](O)[C@@H](C([O-])=O)O)O
D-METHYL-MALONYL-COA	C[C@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])C([O-])=O
D-MYO-INOSITOL-1-MONOPHOSPHATE	[C@@H]1(O)([C@H](O)[C@@H](O)[C@H](OP([O-])(=O)[O-])[C@H](O)[C@H](O)1)
D-PROLINE	C1([N+][C@H](CC1)C(=O)[O-])
D-RIBULOSE	C(O)[C@@H](O)[C@@H](O)C(=O)CO
D-RIBULOSE-1-P	C(OP([O-])(=O)[O-])C(=O)[C@H](O)[C@H](O)CO
D-SERINE	C(O)[C@@H]([N+])C(=O)[O-]
D-SORBITOL-6-P	C([C@@H]([C@H]([C@@H]([C@@H](COP([O-])(=O)[O-])O)O)O)O)O
D-TAGATURONATE	C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
D-TARTRATE	C(=O)([O-])[C@@H](O)[C@H](O)C(=O)[O-]
D-THREONINE	C[C@H](O)[C@@H]([N+])C(=O)[O-]
D-XYLONATE	C(=O)([O-])[C@H](O)[C@@H](O)[C@H](O)CO
D-XYLULOSE	C(O)[C@@H](O)[C@H](O)C(=O)CO
D-aspartate-peptidoglycan	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)O[C@H]2([C@H](NC(=O)C)[C@@H](O[C@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCCCNC(C[C@@H]([N+])C([O-])=O)=O)C(N[C@H](C)C(=O)N[C@H](C)C([O-])=O)=O)[C@H](O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
DADP	C([C@H]3([C@H](C[C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O))OP(OP([O-])([O-])=O)([O-])=O
DAIDZEIN	C3(/C(\C1(/C(=O)C2(\C=CC(\O)=C/C(/OC=1)=2)))=C/C=C(C=3)O)
DAMP	C([C@H]3([C@H](C[C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O))OP([O-])([O-])=O
DATP	C([C@H]3([C@H](C[C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O))OP(OP(OP([O-])(=O)[O-])([O-])=O)([O-])=O
DCDP	C([C@H]2([C@H](C[C@H](N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(=O)([O-])[O-])([O-])=O
DCMP	C([C@H]2([C@H](C[C@H](N1(C(N=C(C=C1)N)=O))O2)O))OP([O-])([O-])=O
DCTP	C([C@H]2([C@H](C[C@H](N1(C(N=C(C=C1)N)=O))O2)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O
DEACETOXYCEPHALOSPORIN-C	CC1(/CS[C@H]2([C@H](NC(=O)CCC[C@@H]([N+])C(=O)[O-])C(=O)N(C(\C(=O)[O-])=1)2))
DEACETYLCEPHALOSPORIN-C	C(O)C1(/CS[C@H]2([C@H](NC(=O)CCC[C@@H]([N+])C(=O)[O-])C(=O)N(C(\C(=O)[O-])=1)2))
DEAMIDO-NAD	C1(C(\C([O-])=O)=C/C=C[N+]=1[C@H]5(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=NC4(C(N)=NC=NC3=4))))[C@@H](O)[C@@H](O)5))
DEHYDRO-3-DEOXY-L-RHAMNONATE	C[C@H](O)[C@H](O)CC(=O)C([O-])=O
DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE	C(OP(=O)([O-])[O-])[C@@H](O)[C@H](O)CC(=O)C([O-])=O
DEHYDROQUINATE	C(=O)([O-])[C@]1(O)(CC(=O)[C@@H](O)[C@H](O)C1)
DELTA-TOCOPHEROL	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)(CCC2(/C(\O1)=C(C)/C=C(C=2)O))
DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE	C1(CC(=N[C@@H](C1)C([O-])=O)C([O-])=O)
DELTA1-PYRROLINE_2-CARBOXYLATE	C1(CCC(C([O-])=O)=N1)
DELTA3-ISOPENTENYL-PP	C=C(C)CCOP([O-])(=O)OP([O-])(=O)[O-]
DEMETHYLMACROCIN	CC[C@H]1([C@H](C=C(C)C=CC(=O)[C@H](C)C[C@H](CC=O)[C@@H]([C@@H](C)[C@H](O)CC(=O)O1)O[C@H]3(O[C@H](C)[C@@H](O[C@H]2(O[C@H]([C@H](O)[C@@](O)(C)C2)C))[C@H]([N+](C)C)[C@@H](O)3))CO[C@H]4(O[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)4)C))
DEOXY-D-RIBOSE-1-PHOSPHATE	C(O)[C@@H]1(O[C@H](OP(=O)([O-])[O-])C[C@H](O)1)
DEOXYADENOSINE	C(O)[C@@H]1(O[C@H](C[C@H](O)1)N3(C=NC2(/C(=NC=NC(/N)=2)3)))
DEOXYAMIDINOPROCLAVAMINATE	C(CC[C@@H](C(=O)[O-])N1(CCC(=O)1))NC(=[N+])N
DEOXYCHOLATE	C[C@@H]([C@@H]3(CC[C@@H]4([C@H]2(CC[C@H]1(C[C@H](O)CC[C@@](C)1[C@H]2C[C@H](O)[C@](C)34)))))CCC(=O)[O-]
DEOXYCHOLYL-COA	C[C@H](CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])[C@@H]5(CC[C@@H]6([C@H]7(CC[C@H]4(C[C@H](O)CC[C@@](C)4[C@@H](C[C@H](O)[C@](C)56)7))))
DEOXYCYTIDINE	C1(/C(N)=NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](CO)O2))
DEOXYGUANOSINE	C(O)[C@@H]1(O[C@H](C[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
DEOXYINOSINE	C(O)[C@@H]1(O[C@H](C[C@H](O)1)N3(C=NC2(\C(=NC=NC(/O)=2)3)))
DEOXYURIDINE	C1(/C(=O)NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](CO)O2))
DEOXYXYLULOSE-5P	CC(=O)[C@@H](O)[C@H](O)COP([O-])(=O)[O-]
DEPHOSPHO-COA	CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(N)=NC=NC2=3))))[C@@H](O)C(=O)NCCC(=O)NCCS
DESMOSTEROL-CPD	CC(C)=CCC[C@@H](C)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
DGDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@@H]1(O[C@H](C[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
DGMP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H](C[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
DGTP	C(OP(=O)([O-])OP(=O)(OP([O-])([O-])=O)[O-])[C@@H]1(O[C@H](C[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
DI-H-OROTATE	C1(C(=O)NC(=O)N[C@H](C(=O)[O-])1)
DI-H-URACIL	C1(NC(CCN1)=O)=O
DIACETYL	CC(C(C)=O)=O
DIACETYLCHITOBIOSE-6-PHOSPHATE	CC(=O)N[C@@H]1(C(O)O[C@H](CO)[C@H]([C@H](O)1)O[C@H]2(O[C@@H]([C@@H](O)[C@H](O)[C@@H](NC(=O)C)2)COP([O-])(=O)[O-]))
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR	C([C@H]2([C@@H](O)[C@@H](O)[C@H](NC1(\N=C(N)NC(=O)C(\N)=1))O2))OP(=O)([O-])[O-]
DICHLOROETHENE	[CH](/Cl)=[CH]/Cl
DICOUMAROL	C3(/C=CC4(/OC(C(/CC1(\C(OC2(/C(C(\O)=1)=CC=CC=2))=O))=C(C(\C=3)=4)/O)=O))
DIETHYLDITHIOCARBAMATE	CCN(CC)C(=S)[S-]
DIETHYLPYROCARBONATE	CCOC(OC(OCC)=O)=O
DIHYDRO-DIOH-BENZOATE	C([O-])(=O)C1(/[C@@H]([C@H](C=CC=1)O)O)
DIHYDRO-NEO-PTERIN	C1(NC2(\N=C(N)NC(=O)C(\N=C1[C@H](O)[C@H](O)CO)=2))
DIHYDRO-THYMINE	CC1(C(NC(=O)NC1)=O)
DIHYDROCHELIRUBINE	C2(C6(\C(C3(\C=CC4(C=C1(OCOC/1=C/C(C(/N(C)2)=3)=4))))=C(C=C5(OCOC\5=6))OC))
DIHYDROCLAVAMINATE	C([N+])C[C@@H]2(O[C@H]1(N(C(=O)C1)[C@H](C([O-])=O)2))
DIHYDROFOLATE	C(NC1(/C=CC(\C(=O)N[C@H](C(=O)[O-])CCC([O-])=O)=C/C=1))C2(CNC3(\N=C(N)NC(=O)C(\N=2)=3))
DIHYDRONEOPTERIN-P	C1(NC2(\N=C(N)NC(=O)C(\N=C1[C@H](O)[C@H](O)COP(=O)([O-])[O-])=2))
DIHYDRONEOPTERIN-P3	C1(NC2(\N=C(N)NC(=O)C(\N=C1[C@H](O)[C@H](O)COP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=2))
DIHYDROPTERIN-CH2OH-PP	C1(C(COP(=O)([O-])OP(=O)([O-])[O-])=NC2(/C(=O)NC(N)=NC(/N1)=2))
DIHYDROSANGUINARINE	C2(C6(\C(C3(\C=CC4(C=C1(OCOC/1=C/C(C(/N(C)2)=3)=4))))=CC=C5(OCOC\5=6)))
DIHYDROXY-ACETONE-PHOSPHATE	C(C(=O)CO)OP([O-])([O-])=O
DIHYDROXY-BUTANONE-P	CC(=O)[C@H](O)COP(=O)([O-])[O-]
DIHYDROXYACETONE	C(C(CO)=O)O
DIHYDROXYNAPHTHOATE	C([O-])(=O)C1(\C=C(O)C2(\C=CC=CC(/C(/O)=1)=2))
DIHYDROXYPENTANEDIONE	CC(C([C@H](CO)O)=O)=O
DIHYDROXYPHENYLGLYCOLALDEHYDE	C(=O)[C@H](O)C1(/C=CC(/O)=C(C=1)/O)
DIISOPROPYL-FLUOROPHOSPHATE	CC(C)OP(=O)(F)OC(C)C
DIISOPROPYL-PHOSPHATE	CC(C)OP([O-])(=O)OC(C)C
DIMETHYL-GLYCINE	C[N+](CC([O-])=O)C
DIMETHYLAMINE	C[N+]C
DIMETHYLARSINATE	C[As](C)(=O)[O-]
DIMETHYLBENZIMIDAZOLE	CC1(/C(\C)=C/C2(/NC=NC(\C=1)=2))
DITHIO-NITROBENZOATE	C2(\C=C(C(\C(=O)[O-])=C/C(\SSC1(/C=C(C(=O)[O-])C(\[N+]([O-])=O)=C/C=1))=2)[N+]([O-])=O)
DITHIOTHREITOL	C(S)[C@H](O)[C@@H](O)CS
DIVINYL-PROTOCHLOROPHYLLIDE-A	C=CC4(/C(\C)=C3(C=C9(C(\C)=C(CCC(=O)[O-])/C8(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C-](C(OC)=O)C(=O)7)/8)))))9))))
DIVINYLCHLOROPHYLLIDE-A	C=CC4(/C(\C)=C3(C=C9([C@@H](C)[C@H](CCC(=O)[O-])C8(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C@@H-](C(OC)=O)C(=O)7)/8)))))9))))
DMPBQ	CC(CCC[C@H](CCC[C@@H](C)CCCC(/C)=C/CC1(\C=C(O)C(\C)=C(C)/C(\O)=1))C)C
DOCOSANOATE	CCCCCCCCCCCCCCCCCCCCCC([O-])=O
DODECANOATE	CCCCCCCCCCCC([O-])=O
DPG	C([C@@H](O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]
DTDP-D-FUCOSE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](C)[C@H](O)[C@H](O)[C@@H](O)2))O3))
DTDP-D-GLUCOSE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2))O3))
DTDP-DEOH-DEOXY-GLUCOSE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@H](C)C(=O)[C@H](O)[C@@H](O)2))O3))
DTDP-DEOH-DEOXY-MANNOSE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@@H](C)C(=O)[C@@H](O)[C@@H](O)2))O3))
DTDP-RHAMNOSE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@@H]2(O[C@@H](C)[C@H](O)[C@@H](O)[C@@H](O)2))O3))
DUMP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H](C[C@H](O)1)N2(C=CC(=O)NC(=O)2))
DUTP	C([C@H]2([C@H](C[C@H](N1(C(NC(C=C1)=O)=O))O2)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O
ECTOINE	CC1(NCC[C@@H](C([O-])=O)[N+]=1)
EDTA	C(C[N+](CC([O-])=O)CC([O-])=O)[N+](CC([O-])=O)CC([O-])=O
EGTA	C(N(CC(=O)[O-])CC(=O)[O-])COCCOCCN(CC(=O)[O-])CC(=O)[O-]
ENTEROBACTIN	C2([C@H](NC(=O)C1(/C(/O)=C(C=CC=1)/O))C(OC[C@@H](C(OC[C@@H](C(=O)O2)NC(=O)C3(/C(/O)=C(C=CC=3)/O))=O)NC(=O)C4(\C=CC=C(O)C(/O)=4))=O)
EPOXYSQUALENE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC=C(C)CCC=C(C)CC[C@@H]1(C(C)(C)O1)
ERYTHRITOL	C([C@@H]([C@@H](CO)O)O)O
ERYTHRONATE-4P	C(OP(=O)([O-])[O-])[C@H]([C@H](C([O-])=O)O)O
ERYTHROSE-4P	[CH]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)=O
ERYTHRULOSE	C(O)[C@H](O)C(=O)CO
ETHANOL-AMINE	C(CO)[N+]
ETHYL-2-METHYLACETOACETATE	CCOC(=O)[C@H](C)C(C)=O
ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE	CCOC(=O)[C@H](C)[C@H](C)O
ETHYLACETATE	CCOC(=O)C
ETHYLENE-CMPD	C=C
ETOH	CCO
Elemental-Sulfur	S1212
F-	[F-]
FAD	CC6(/C=C5(N=C1(C(=O)[N-]C(=O)N=C1N(C[C@@H]([C@H](O)[C@H](O)COP(OP([O-])(OC[C@H]4([C@@H](O)[C@@H](O)[C@H](N2(C=NC3(C(N)=NC=NC2=3)))O4))=O)([O-])=O)O)C/5=C/C(\C)=6)))
FADH2	CC2(/C=C1(NC6(\C(=O)NC(=O)NC(/N(C/1=C/C(\C)=2)C[C@H](O)[C@H](O)[C@H](O)COP(OP([O-])(OC[C@H]5([C@@H](O)[C@@H](O)[C@H](N3(C=NC4(C(N)=NC=NC3=4)))O5))=O)([O-])=O)=6)))
FARNESYL-PP	CC(C)=CCCC(/C)=C/CCC(/C)=C/COP(OP([O-])(=O)[O-])(=O)[O-]
FE+2	[Fe++]
FE+3	[Fe+++]
FERRIC-ENTEROBACTIN-COMPLEX	C7(OC([C@@H]6(NC(C8(/C9(/O[Fe---]135(OC2(/C(/O1)=C(C=CC=2)/C(N[C@H](C(=O)OC[C@H](NC(=O)C4(/C(/O3)=C(C=CC=4)/O5))C(=O)OC6)7)=O))OC(\C=CC=8)=9)))=O))=O)
FERULIC-ACID	COC1(/C(\O)=C/C=C(C=CC([O-])=O)C=1)
FERULOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(\O)=C/C=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
FMN	CC1(/C(\C)=C/C2(/N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-])C3(C(=NC(\C=1)=2)C(=O)[N-]C(=O)N=3)))
FMNH2	CC1(/C(\C)=C/C2(/N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-])C3(\NC(=O)NC(=O)C(/NC(\C=1)=2)=3)))
FORMALDEHYDE	[CH2]=O
FORMATE	[CH]([O-])=O
FRU1P	C(O)[C@H]1([C@@H](O)[C@H](O)[C@](COP([O-])([O-])=O)(O)O1)
FRUCTOSE-16-DIPHOSPHATE	C([C@H]1([C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]
FRUCTOSE-6P	C(OP(=O)([O-])[O-])[C@@H]1(O[C@@](CO)(O)[C@@H](O)[C@H](O)1)
FRUCTOSELYSINE	C(C(=O)[C@@H](O)[C@H](O)[C@@H](CO)O)[N+]CCCC[C@H]([N+])C(=O)[O-]
FRUCTOSELYSINE-6-PHOSPHATE	C(C(=O)[C@@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O)[N+]CCCC[C@H]([N+])C(=O)[O-]
FUCULOSE-1P	C[C@@H]([C@H]([C@H](C(COP([O-])(=O)[O-])=O)O)O)O
FUM	C(\C([O-])=O)=C/C(=O)[O-]
G3P	C(OP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]
GALACTITOL	C([C@@H]([C@H]([C@H]([C@H](O)CO)O)O)O)O
GALACTOSE	C(O)[C@@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1)
GALACTOSE-1P	C(O)[C@@H]1(O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@@H](O)1)
GAMA-TOCOPHEROL	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)(CCC2(/C(\O1)=C(C)/C(/C)=C(C=2)/O))
GAMMA-BUTYROBETAINE	C[N+](CCCC([O-])=O)(C)C
GAMMA-BUTYROBETAINYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+](C)(C)C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH	[CH](=O)CCCNC(=O)CC[C@H]([N+])C(=O)[O-]
GAMMA-GLUTAMYL-PUTRESCINE	C([N+])CCCNC(=O)CC[C@H]([N+])C(=O)[O-]
GAMMA-PENTACHLOROCYCLOHEXANE	C1(\[C@H]([C@H](Cl)[C@H](Cl)[C@H](C(\Cl)=1)Cl)Cl)
GAP	[CH](=O)[C@H](O)COP(=O)([O-])[O-]
GDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE	C[C@@H]4(O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3))))[C@@H](O)[C@@H](O)C(=O)4)
GDP-D-GLUCOSE	C(O)[C@H]1([C@@H](O)[C@H](O)[C@@H](O)[C@H](O1)OP([O-])(=O)OP([O-])(=O)OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=NC4(C(=O)NC(N)=NC3=4))))
GDP-L-GALACTOSE	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=C(NC(C(N=C1)=2)=O)N)))O3)O)O))OP(OP(O[C@H]4([C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O))([O-])=O)([O-])=O
GDP-MANNOSE	C(OP([O-])(=O)OP([O-])(=O)O[C@@H]1(O[C@@H]([C@@H](O)[C@H](O)[C@H](O)1)CO))[C@H]2([C@@H](O)[C@@H](O)[C@@H](O2)N3(C=NC4(C(=O)NC(N)=NC3=4)))
GDP-TP	C(OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](OP([O-])(=O)OP(O)([O-])=O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
GERANIAL	CC(C)=CCCC(/C)=C/[CH]=O
GERANYL-PP	CC(C)=CCCC(/C)=C/COP([O-])(OP(=O)([O-])[O-])=O
GERANYLGERANYL-PP	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
GLC	C(O)[C@@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
GLC-1-P	C(O)[C@@H]1(O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)[C@H](O)1)
GLC-6-P	C([C@@H]1(O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O))OP([O-])([O-])=O
GLC-D-LACTONE	C(O)[C@@H]1(OC([C@@H]([C@H]([C@@H]1O)O)O)=O)
GLN	C(=O)(N)CC[C@H]([N+])C([O-])=O
GLOBOMYCIN	CCCCCCC1(OC(=O)CNC(=O)C(NC(=O)CC(CO)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C(C)1)C(C)CC)C(C)O)
GLT	C(CC[C@@H](C(=O)[O-])[N+])([O-])=O
GLUCONATE	C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
GLUCOSAMINATE	C([O-])(=O)[C@H]([N+])[C@@H](O)[C@H](O)[C@H](O)CO
GLUCOSAMINE-1P	C(O)[C@@H]1(O[C@H](OP(=O)([O-])[O-])[C@H]([N+])[C@@H](O)[C@H](O)1)
GLUTAMATE-1-SEMIALDEHYDE	[CH]([C@H](CCC([O-])=O)[N+])=O
GLUTARATE	C(CC([O-])=O)CC(=O)[O-]
GLUTARYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
GLUTATHIONE	C(S)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
GLY	C([N+])C([O-])=O
GLYCERALD	[CH](=O)[C@H](O)CO
GLYCERATE	C(=O)([O-])[C@H](O)CO
GLYCEROL	C(C(O)CO)O
GLYCEROL-3P	C(OP([O-])(=O)[O-])[C@H](O)CO
GLYCEROPHOSPHOGLYCEROL	C(C(COP(OCC(CO)O)([O-])=O)O)O
GLYCOL	C(CO)O
GLYCOLALDEHYDE	C(O)[CH]=O
GLYCOLLATE	C(C(=O)[O-])O
GLYOX	[CH](C(=O)[O-])=O
GMP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
GTP	C(OP([O-])(=O)OP(=O)([O-])OP([O-])(=O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
GUANIDOACETIC_ACID	C(NC(N)=[N+])C([O-])=O
GUANINE	C1(=NC2(/C(=O)NC(=NC(/N1)=2)N))
GUANOSINE	C(O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
GUANOSINE-5DP-3DP	C(OP(=O)([O-])OP(=O)(O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](OP([O-])(=O)OP([O-])([O-])=O)1)N2(C=NC3(C(=O)NC(N)=NC2=3)))
HCN	C#N
HCO3	C([O-])(=O)O
HEPTADECANE-CPD	CCCCCCCCCCCCCCCCC
HEPTOSYL-KDO2-LIPID-IVA	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)1)CO[C@H]5(O[C@H](CO[C@@]4(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@@H]2(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)2))[C@H](O[C@@]3(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C3)C(=O)[O-])C4))[C@H]([C@@H]([C@H]5NC(=O)C[C@H](O)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
HEXANAL	CCCCC[CH]=O
HEXANOATE	CCCCCC([O-])=O
HEXANOL-CMPD	CCCCCCO
HEXANOYL-COA	CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
HG+2	[Hg++]
HIS	C1(/NC=NC(\C[C@@H](C(=O)[O-])[N+])=1)
HISTAMINE	C1(/N=CNC(\CC[N+])=1)
HISTIDINOL	C1(/NC=NC(\C[C@@H](CO)[N+])=1)
HMP	CC1(N=C(C(\CO)=C/N=1)N)
HOMO-CIT	C(C([O-])=O)C[C@](O)(C([O-])=O)CC([O-])=O
HOMO-CYS	C([C@H](CCS)[N+])(=O)[O-]
HOMO-I-CIT	C(CC(=O)[O-])[C@H](C(=O)[O-])[C@@H](O)C(=O)[O-]
HOMO-SER	C(CO)[C@H]([N+])C([O-])=O
HOMOARGININE	C([C@H](CCCCNC(=[N+])N)[N+])(=O)[O-]
HOMOCYSTINE	C(C[C@@H](C([O-])=O)[N+])SSCC[C@@H](C([O-])=O)[N+]
HOMOGENTISATE	C1(/C(\O)=C/C(/CC([O-])=O)=C(C=1)/O)
HOMOMETHIONINE	CSCCC[C@@H](C([O-])=O)[N+]
HOP-2229-ENE	C=C(C)[C@@H]5(CC[C@@]4(C)([C@@H](CC[C@]2(C)([C@H](CC[C@H]1([C@@]3(C)(CCCC(C)(C)[C@H](CC[C@](C)12)3)))4))5))
HOPAN-22-OL	CC5(C)(CCC[C@@]4(C)([C@@H](CC[C@]2(C)([C@H](CC[C@H]1([C@@]3(C)(CC[C@H](C(C)(C)O)[C@H](CC[C@](C)12)3)))4))5))
HS	[SH2]
HSCN	C(#N)[S-]
HX	[XH]
HYDRAZINE	NN
HYDROGEN-PEROXIDE	OO
HYDROQUINONE	C1(/C(\O)=C/C=C(O)C=1)
HYDROXY-METHYL-BUTENYL-DIP	CC(\CO)=C/COP(OP([O-])(=O)[O-])(=O)[O-]
HYDROXY-UREA	C(=O)(N)NO
HYDROXYAMINOBENZENE	C1(/C=CC(\NO)=C/C=1)
HYDROXYATRAZINE	CCNC1(=NC(NC(C)C)=NC(O)=N1)
HYDROXYBENZOQUINONE	C1(/C(=O)C=C([O-])C(=O)C=1)
HYDROXYLAMINE	NO
HYDROXYMALONATE	C([O-])(=O)C(O)C([O-])=O
HYDROXYMETHYLBILANE	C(O)C4(/NC(\CC3(/NC(\CC2(/NC(\CC1(/NC=C(CCC(=O)[O-])C(\CC([O-])=O)=1))=C(CCC(=O)[O-])/C(\CC([O-])=O)=2))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=3))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=4)
HYDROXYMUCONATE-SALD	[CH](=O)C=CC=C(O)C(=O)[O-]
HYDROXYNAPHTHOQUINONE	C1(/C=C(C2(/C(=O)C=CC(C(\C=1)=2)=O))O)
HYDROXYPROPANAL	C([CH]=O)CO
HYDRPHENYLAC-CPD	[CH](=O)CC1(/C=CC(\O)=C/C=1)
HYGROMYCIN-B	C[N+][C@@H]4(C[C@@H]([N+])[C@H](O)[C@@H](O[C@H]2(O[C@H](CO)[C@H](O)[C@H]3(OC1(OC([C@H]([N+])CO)[C@@H](O)[C@@H](O)[C@H](O)1)(O[C@H]23))))[C@H](O)4)
HYPOTAURINE	C([N+])CS([O-])=O
HYPOXANTHINE	C1(NC2(C(=O)NC=NC(N=1)=2))
IDP	C(OP(=O)([O-])OP([O-])(=O)[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC=NC2=3)))
ILE	CC[C@H](C)[C@H]([N+])C(=O)[O-]
IMIDAZOLE-ACETOL-P	C1(/NC=NC(\CC(COP([O-])(=O)[O-])=O)=1)
IMINOASPARTATE	C(=O)([O-])CC(=N)C(=O)[O-]
IMP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC=NC2=3)))
INDOLE	C1(/C=CC2(NC=CC(C=1)=2))
INDOLE-3-ACETYL-ALA	C[C@H](NC(CC1(/C2(\C=CC=CC(/NC=1)=2)))=O)C(=O)[O-]
INDOLE-3-GLYCEROL-P	C1(\NC2(\C=CC=CC(/C(\[C@@H]([C@@H](COP([O-])(=O)[O-])O)O)=1)=2))
INDOLE_ACETALDEHYDE	[CH](=O)CC1(/C2(/C(\NC=1)=C/C=CC=2))
INDOLE_ACETATE_AUXIN	C([O-])(=O)CC1(/C2(\C=CC=CC(/NC=1)=2))
INDOLE_PYRUVATE	C([O-])(=O)C(=O)CC1(/C2(\C=CC=CC(/NC=1)=2))
INDOXYL	C1(/C=CC2(/NC=C(O)C(\C=1)=2))
INOSINE	C(O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC=NC2=3)))
INOSITOL-1456-TETRAKISPHOSPHATE	[C@@H]1(O)([C@@H](OP([O-])([O-])=O)[C@H](OP([O-])(=O)[O-])[C@@H](OP([O-])(=O)[O-])[C@H](OP(=O)([O-])[O-])[C@@H](O)1)
IODOACETAMIDE	C(I)C(N)=O
IODOACETATE	C(I)C(=O)[O-]
IPRONIAZID	CC(C)NNC(=O)C1(/C=CN=CC=1)
ISO-PROPANOL	CC(O)C
ISOBUTANOL	CC(C)CO
ISOBUTYRATE	CC(C)C([O-])=O
ISOBUTYRYL-COA	CC(C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])C
ISOCHORISMATE	C=C(C(=O)[O-])O[C@@H]1(C=CC=C([C@@H]1O)C([O-])=O)
ISONIAZIDE	C1(/N=CC=C(C=1)C(=O)NN)
ISONOCARDICIN-A	C3([C@H](NC(=O)C(C1(/C=CC(\OCC[C@H]([N+])C(=O)[O-])=C/C=1))=NO)C(=O)N([C@H](C2(/C=CC(\O)=C/C=2))C(=O)[O-])3)
ISOPENICILLIN-N	CC1(C)(S[C@H]2([C@@H](C(=O)N([C@@H](C(=O)[O-])1)2)NC(=O)CCC[C@H]([N+])C(=O)[O-]))
ISOPHENOXAZINE	C2(/C=CC3(/OC1(/C(C=C(C(=O)C=1)N)=NC(\C=2)=3)))
ISOPROPYLAMINE	CC([N+])C
ISOVALERATE	CC(C)CC(=O)[O-]
ISOVALERYL-COA	CC(CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])C
ITACONATE	C=C(C(=O)[O-])CC([O-])=O
ITP	C(OP(=O)([O-])OP([O-])(=O)OP([O-])([O-])=O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(C(=O)NC=NC2=3)))
K+	[K+]
K-HEXANOYL-COA	CCCC(CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O)=O
KDO	C(O)[C@@H](O)[C@@H]1(O[C@@](O)(C([O-])=O)C[C@H]([C@H]1O)O)
KDO-LIPID-IVA	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]3(O[C@H](CO[C@@]2(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)C2))[C@H]([C@@H]([C@H]3NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])(=O)[O-]))
KDO2-LAUROYL-LIPID-IVA	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)1)CO[C@H]4(O[C@H](CO[C@@]3(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]2(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2)C(=O)[O-])C3))[C@H]([C@@H]([C@H]4NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
KDO2-LIPID-A	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]3([C@H]([C@@H](O[C@H](CO[C@@]2(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]1(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C1)C(=O)[O-])C2))[C@H]3OP([O-])(=O)[O-])OC[C@H]4([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
KDO2-LIPID-IVA	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)1)CO[C@H]4(O[C@H](CO[C@@]3(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]2(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2)C(=O)[O-])C3))[C@H]([C@@H]([C@H]4NC(=O)C[C@H](O)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
KDO2-LIPID-IVA-COLD	CCCCCCC=CCCCCCCCC(O[C@@H](CC(=O)N[C@@H]3([C@@H](O[C@H](CO[C@@]2(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]1(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C1)C(=O)[O-])C2))[C@H]([C@@H]3OC(=O)C[C@H](OC(=O)CCCCCCCCCCCCC)CCCCCCCCCCC)OP([O-])([O-])=O)OC[C@H]4([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4)))CCCCCCCCCCC)=O
KDO2-PALMITOLEOYL-LIPID-IVA	CCCCCCC=CCCCCCCCC(O[C@@H](CC(=O)N[C@@H]3([C@@H](O[C@H](CO[C@@]2(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]1(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C1)C(=O)[O-])C2))[C@H]([C@@H]3OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O)OC[C@H]4([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4)))CCCCCCCCCCC)=O
KOJIC-ACID	C(C1(/OC=C(C(C=1)=O)[O-]))O
KYNURENATE	C2(/C=C1(C(\N=C(C(=O)[O-])C=C([O-])1)=C/C=2))
L-1-GLYCEROPHOSPHORYLETHANOL-AMINE	C(OP([O-])(OC[C@@H](CO)O)=O)C[N+]
L-23-DIAMINOPROPANOATE	C(=O)([O-])[C@@H]([N+])C[N+]
L-ALA-GAMMA-D-GLU-DAP	C[C@H]([N+])C(=O)N[C@H](CCC(=O)N[C@H](C([O-])=O)CCC[C@@H]([N+])C(=O)[O-])C(=O)[O-]
L-ALPHA-ALANINE	C[C@H]([N+])C([O-])=O
L-ARA4N-MODIFIED-KDO2-LIPID-A	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@H]4([C@H]([C@H](OC[C@@H]1(O[C@H](OP([O-])([O-])=O)[C@H](NC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@H](O)1))O[C@H](CO[C@]3(C([O-])=O)(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O[C@@]2(C([O-])=O)(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C2))C3))[C@H]4OP([O-])(O[C@H]5([C@@H]([C@H]([C@H](CO5)[N+])O)O))=O)NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
L-ARABITOL	C([C@@H]([C@@H]([C@H](CO)O)O)O)O
L-ARGININE-P	C(CC[C@H]([N+])C(=O)[O-])NC(=[N+])NP(=O)([O-])[O-]
L-ARGININO-SUCCINATE	C(NC(=[N+])NC(CC(=O)[O-])C(=O)[O-])CC[C@@H](C(=O)[O-])[N+]
L-ASPARTATE	C(C(=O)[O-])[C@H]([N+])C(=O)[O-]
L-ASPARTATE-SEMIALDEHYDE	[CH](=O)C[C@H]([N+])C(=O)[O-]
L-BETA-ASPARTYL-P	C([C@H]([N+])C(=O)[O-])C(=O)OP([O-])(=O)[O-]
L-CARNITINYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](C[N+](C)(C)C)O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
L-CITRULLINE	C(NC(N)=O)CC[C@H]([N+])C(=O)[O-]
L-CYSTATHIONINE	C(SC[C@@H](C([O-])=O)[N+])C[C@H]([N+])C([O-])=O
L-CYSTEATE	C([C@H]([N+])C(=O)[O-])S(=O)(=O)[O-]
L-DELTA1-PYRROLINE_5-CARBOXYLATE	C1(=N[C@@H](CC1)C(=O)[O-])
L-DI-GMP	C([C@@H]3(O[C@@H](N1(C=NC2(C(=O)NC(N)=NC1=2)))[C@H](O)[C@H](O)3))OP(O[C@@H]6([C@@H](O)[C@H](N4(C=NC5(C(=O)NC(N)=NC4=5)))O[C@H](COP(=O)([O-])[O-])6))(=O)[O-]
L-DIHYDROXY-PHENYLALANINE	C([C@H](CC1(/C=CC(/O)=C(C=1)/O))[N+])(=O)[O-]
L-FUCULOSE	C[C@H](O)[C@@H](O)[C@@H](O)C(=O)CO
L-GAMMA-GLUTAMYLCYSTEINE	C(S)[C@@H](C([O-])=O)NC(=O)CC[C@H]([N+])C([O-])=O
L-GLUTAMATE_GAMMA-SEMIALDEHYDE	C(C[C@H]([N+])C([O-])=O)[CH]=O
L-GLYCERALDEHYDE-3-PHOSPHATE	C(OP(=O)([O-])[O-])[C@H](O)[CH]=O
L-GULONATE	C(O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-]
L-GULONO-1-4-LACTONE	C([C@@H]([C@H]1([C@@H]([C@@H](C(O1)=O)O)O))O)O
L-HISTIDINOL-P	C1(/NC=NC(\C[C@@H](COP([O-])(=O)[O-])[N+])=1)
L-IDONATE	C(O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
L-LACTATE	C[C@@H](C([O-])=O)O
L-N2-2-CARBOXYETHYLARGININE	C(CC[C@H](NCCC(=O)[O-])C(=O)[O-])NC(=[N+])N
L-ORNITHINE	C(=O)([O-])[C@@H]([N+])CCC[N+]
L-PANTOATE	CC(C)(CO)[C@H](C([O-])=O)O
L-PHOSPHINOTHRICIN	CP(CC[C@H]([N+])C(=O)[O-])([O-])=O
L-PIPECOLATE	C1(CCC[C@@H](C([O-])=O)[N+]1)
L-RHAMNONATE	C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C([O-])=O
L-RHAMNONO-14-LACTONE	C[C@@H]([C@@H]1([C@H]([C@@H](O)C(O1)=O)O))O
L-RIBULOSE-5-P	C(OP(=O)([O-])[O-])[C@H](O)[C@H](O)C(=O)CO
L-SELENOCYSTEINE	C([Se])[C@H]([N+])C([O-])=O
L-SORBOSONE	[CH](=O)C([C@H]([C@@H]([C@H](CO)O)O)O)=O
L-THREO-3-METHYL-ASPARTATE	C[C@@H]([C@H]([N+])C([O-])=O)C([O-])=O
L-THREONATE	C([C@@H]([C@H](C(=O)[O-])O)O)O
L-THREONINE-O-3-PHOSPHATE	C[C@@H](OP([O-])([O-])=O)[C@H]([N+])C([O-])=O
L-THYROXINE	C(=O)([O-])[C@@H]([N+])CC2(/C=C(I)C(/OC1(/C=C(I)C(/O)=C(C=1)/I))=C(C=2)/I)
L-XYLULOSE	C(O)[C@H](O)[C@@H](O)C(=O)CO
L-XYLULOSE-5-P	C(O)C(=O)[C@H](O)[C@@H](O)COP(=O)([O-])[O-]
LACTALD	C[C@@H]([CH]=O)O
LACTOYL-COA	C[C@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
LANOSTEROL	CC(C)=CCC[C@H]([C@H]1([C@]3(C)([C@@](C)(CC1)C4(/CC[C@H]2(C(C)(C)[C@@H](O)CC[C@@]2(C(/CC3)=4)C)))))C
LAUROYLCOA-CPD	CCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
LEU	CC(C[C@H]([N+])C([O-])=O)C
LI+	[Li+]
LINOLEIC_ACID	CCCCCC=CCC=CCCCCCCCC([O-])=O
LINOLENIC_ACID	CCC=CCC=CCC=CCCCCCCCC(=O)[O-]
LIOTHYRONINE	C2(\C=C(O)C(\I)=C/C(\OC1(\C(\I)=C/C(\C[C@H]([N+])C(=O)[O-])=C/C(/I)=1))=2)
LIPID-IV-A	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)1)CO[C@H]2(O[C@H](CO)[C@H]([C@@H]([C@H]2NC(C[C@H](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
LIPOIC-ACID	C(CCC(=O)[O-])C[C@H]1(CCSS1)
LIPOL-AMP	C1(SS[C@@H](C1)CCCCCOP(OC[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)O)O))([O-])=O)
LIPOYL-AMP	C1(SS[C@@H](C1)CCCCC(=O)OP(OC[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)O)O))([O-])=O)
LL-DIAMINOPIMELATE	C([C@H](CCC[C@@H](C([O-])=O)[N+])[N+])([O-])=O
LYS	C([N+])CCC[C@H]([N+])C([O-])=O
MAL	C(=O)([O-])C[C@H](O)C([O-])=O
MALEAMATE	C(/C(N)=O)=C/C(=O)[O-]
MALEATE	C([O-])(=O)C=CC([O-])=O
MALONATE	C(C([O-])=O)C([O-])=O
MALONATE-S-ALD	[CH](=O)CC([O-])=O
MALONYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)[O-])COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
MALTOHEXAOSE	C([C@@H]6(O[C@H](O[C@H]5([C@H](O[C@H](O[C@H]4([C@H](O[C@H](O[C@H]1([C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@H]2([C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3([C@H](OC([C@@H]([C@H]3O)O)O)CO))CO))CO))[C@@H]([C@H]4O)O)CO))[C@@H]([C@H]5O)O)CO))[C@@H]([C@H]([C@@H]6O)O)O))O
MALTOPENTAOSE	C([C@@H]5(O[C@H](O[C@H]4([C@H](O[C@H](O[C@H]1([C@H](O[C@@H]([C@@H]([C@H]1O)O)O[C@H]2([C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3([C@H](OC([C@@H]([C@H]3O)O)O)CO))CO))CO))[C@@H]([C@H]4O)O)CO))[C@@H]([C@H]([C@@H]5O)O)O))O
MALTOTETRAOSE	C([C@@H]4(O[C@H](O[C@H]3([C@H](O[C@H](O[C@H]2([C@H](O[C@H](O[C@H]1([C@H](OC(O)[C@@H]([C@H]1O)O)CO))[C@@H]([C@H]2O)O)CO))[C@@H]([C@H]3O)O)CO))[C@@H]([C@@H](O)[C@@H]4O)O))O
MALTOTRIOSE	C([C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@H]3([C@H](OC([C@@H]([C@H]3O)O)O)CO))CO)))O
MANNITOL	C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
MANNITOL-1P	C([C@H]([C@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O)O)O
MANNOSE-1P	C(O)[C@@H]1(O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@H](O)1)
MELIBIOSE	C([C@@H]1(O[C@@H]([C@@H]([C@H]([C@H]1O)O)O)OC[C@@H]2(OC([C@@H]([C@H]([C@@H]2O)O)O)O)))O
MENADIOL	CC2(/C(\O)=C1(C=CC=CC\1=C(C=2)/O))
MESACONATE	CC(\C([O-])=O)=C/C([O-])=O
MESO-DIAMINOPIMELATE	C([C@H](CCC[C@H](C([O-])=O)[N+])[N+])([O-])=O
MESO-TARTRATE	C([C@H]([C@H](C([O-])=O)O)O)([O-])=O
MET	CSCC[C@H]([N+])C([O-])=O
META-XYLENE	CC1(/C=CC=C(C=1)C)
METHYL-ACETATE	CC(=O)OC
METHYL-BETA-D-GALACTOSIDE	CO[C@H]1(O[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)1)
METHYL-GLYOXAL	CC([CH]=O)=O
METHYL-MALONYL-COA	C[C@@H](C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])C([O-])=O
METHYLAMINE	C[N+]
METHYLARSONATE	C[As](=O)([O-])O
METHYLARSONITE	C[As](O)O
METHYLENETETRAHYDROMETHANOPTERIN	C[C@@H]4([C@H]3([C@@H](C)N(C2(/C=CC(\C[C@H](O)[C@H](O)[C@H](O)CO[C@H]1([C@H](O)[C@@H]([C@@H](COP([O-])(=O)O[C@H](C(=O)[O-])CCC(=O)[O-])O1)O))=C/C=2))CN3C5(/C(=O)NC(N)=NC(/N4)=5)))
METOH	CO
MEVALONATE	C[C@@](O)(CCO)CC(=O)[O-]
MEVALONATE-DP	C[C@](OP(=O)([O-])[O-])(CC(=O)[O-])CCOP(=O)([O-])[O-]
MG+2	[Mg++]
MG-PROTOPORPHYRIN	C=CC4(/C(\C)=C3(C=C8(C(\C)=C(CCC(=O)[O-])/C7(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(\C)=C(CCC(=O)[O-])/C(/N56)=C/7))))8))))
MG-PROTOPORPHYRIN-MONOMETHYL-ESTER	C=CC4(/C(\C)=C3(C=C8(C(\C)=C(CCC(=O)[O-])/C7(=N(.[Mg]25(.N1(=C(C(\C=C)=C(C)/C/1=C/C(/N23)=4)C=C6(C(\C)=C(CCC(=O)OC)/C(/N56)=C/7))))8))))
MN+2	[Mn++]
MN+3	[Mn+++]
MOENOMYCIN	CC(C)=CCCC(/C)=C/CC(CCC(C)(C)C=CCCC(/C)=C/CO[C@@H](C([O-])=O)COP(=O)([O-])O[C@@H]6(O[C@@H]([C@](O)(C)[C@H](OC(=O)N)[C@@H](O[C@H]5(O[C@H](CO[C@@H]1([C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O))[C@@H](O[C@H]4(O[C@@H]([C@@H](O[C@@H]3([C@H](O)[C@H]([C@@H](O)[C@@H](C(=O)NC2(\C(=O)CCC(/O)=2))O3)O))[C@H](O)[C@@H](NC(=O)C)4)C))[C@H](O)[C@@H](NC(=O)C)5))6)C(=O)[O-]))=C
MONO-VINYL-PROTOCHLOROPHYLLIDE-A	C=CC4(/C(\C)=C3(C=C9(C(\C)=C(CCC(=O)[O-])/C8(=N(.[Mg]25(.N1(=C(C(\CC)=C(C)/C/1=C/C(/N23)=4)C=C6(C(/C)=C7(C(/N56)=C([C-](C(OC)=O)C(=O)7)/8)))))9))))
MONOMER0-4342	C(=O)([a prolipoprotein])[C@@H](N[a lipoprotein signal peptide])CSC[C@H](OC([R2])=O)COC([R1])=O
MONOMETHYL-ESTER-OF-TRANS-ACONITATE	COC(=O)C(/CC(=O)[O-])=C/C(=O)[O-]
MPBQ	CC(CCC[C@H](CCC[C@@H](C)CCCC(/C)=C/CC1(\C=C(O)C=C(C)C(\O)=1))C)C
MYO-INOSITOL	[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O
Me-CoM	CSCCS(=O)(=O)[O-]
N-23-DIHYDROXYBENZOYL-L-SERINE	C1(/C=C(O)C(/O)=C(C=1)/C(=O)N[C@@H](CO)C([O-])=O)
N-5-PHOSPHORIBOSYL-ANTHRANILATE	C(OP(=O)([O-])[O-])[C@@H]2(O[C@@H](NC1(\C=CC=CC(/C(=O)[O-])=1))[C@H](O)[C@H](O)2)
N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY	CC(C)[C@@H](NC(=O)[C@H](CS)NC(=O)CCC[C@H]([N+])C(=O)[O-])C(=O)[O-]
N-ACETYL-9-O-ACETYLNEURAMINATE	CC(N[C@H]1(C(C[C@@](O)(C(=O)[O-])OC1[C@H](C(COC(=O)C)O)O)O))=O
N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE	CC(=O)N[C@@H]1(C(O)O[C@H](COP(=O)([O-])[O-])[C@H](O)[C@H](O)1)
N-ACETYL-D-GLUCOSAMINE	CC(=O)N[C@@H]1([C@H](O)O[C@H](CO)[C@@H](O)[C@H](O)1)
N-ACETYL-D-GLUCOSAMINE-1-P	CC(=O)N[C@H]1([C@@H](O)[C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])[O-])1)
N-ACETYL-D-MANNOSAMINE-6P	CC(=O)N[C@H]1(C(O)O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@H](O)1)
N-ACETYL-GLUTAMYL-P	CC(=O)N[C@H](C([O-])=O)CCC(=O)OP([O-])(=O)[O-]
N-ACETYL-NEURAMINATE-9P	CC(=O)N[C@H]1([C@H](C[C@](C([O-])=O)(O)O[C@H]1[C@H](O)[C@H](O)COP([O-])([O-])=O)O)
N-BROMOSUCCINIMIDE	C1(C(N(C(C1)=O)Br)=O)
N-ETHYLMALEIMIDE	CCN1(C(=O)C=CC(=O)1)
N-FORMIMINO-L-GLUTAMATE	[CH](=[N+])N[C@H](C([O-])=O)CCC([O-])=O
N-FORMYLKYNURENINE	[CH](=O)NC1(\C=CC=CC(/C(=O)C[C@H]([N+])C(=O)[O-])=1)
N-METHYLTRYPTOPHAN	C[N+][C@@H](CC1(/C2(\C=CC=CC(/NC=1)=2)))C(=O)[O-]
N-QUINOLIN-8-YLMETHANESULFONAMI	CS(=O)(=O)[N-]C1(/C2(N=CC=CC(C=CC=1)=2))
N-SUCCINYL-2-AMINO-6-KETOPIMELATE	C(CC(=O)C(=O)[O-])C[C@H](NC(CCC([O-])=O)=O)C([O-])=O
N-SUCCINYLLL-2-6-DIAMINOPIMELATE	C(C[C@H]([N+])C(=O)[O-])C[C@H](NC(CCC([O-])=O)=O)C([O-])=O
N2-SUCCINYLGLUTAMATE	C(CCC(=O)[O-])(N[C@@H](CCC(=O)[O-])C(=O)[O-])=O
N2-SUCCINYLORNITHINE	C(CC[C@@H](C([O-])=O)NC(=O)CCC([O-])=O)[N+]
N5-METHYLGLUTAMINE	CNC(=O)CC[C@H]([N+])C(=O)[O-]
NA+	[Na+]
NAD	C1(C(\C(N)=O)=C/C=C[N+]=1[C@H]5(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=NC4(C(N)=NC=NC3=4))))[C@@H](O)[C@@H](O)5))
NADH	C1(\N(C=CCC(\C(N)=O)=1)[C@H]5(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=NC4(C(N)=NC=NC3=4))))[C@@H](O)[C@@H](O)5))
NADP	C5(=[N+]([C@H]1(O[C@@H]([C@H]([C@H]1O)O)COP(OP(OC[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(C=C5)C(=O)N)
NADPH	C5(/N([C@H]1(O[C@@H]([C@H]([C@H]1O)O)COP(OP(OC[C@H]4([C@H]([C@H]([C@H](N2(C3(N=CN=C(C(N=C2)=3)N)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))C=C(CC=5)C(=O)N)
NARINGENIN-7-O-BETA-D-GLUCOSIDE	C4(/C(\[C@H]2(CC(=O)C3(\C(\O)=C/C(\O[C@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))=C/C(/O2)=3)))=C/C=C(O)C=4)
NARINGIN	C[C@H]5(O[C@@H](O[C@H]4([C@@H](O)[C@H](O)[C@@H](CO)O[C@@H](OC2(/C=C1(O[C@@H](CC(=O)C\1=C(C=2)/O)C3(/C=CC(\O)=C/C=3))))4))[C@H](O)[C@H](O)[C@@H](O)5)
NEUROSPORENE	CC(C)=CCCC(/C)=C/C=CC(/C)=C/C=CC(/C)=C/C=CC=C(C=CC=C(CCC=C(CCC=C(C)C)C)C)C
NI+2	[Ni++]
NIACINAMIDE	C1(=NC=C(C(=O)N)C=C1)
NIACINE	C1(/N=CC(\C([O-])=O)=C/C=1)
NICOTINAMIDE_NUCLEOTIDE	C(OP([O-])(=O)[O-])[C@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(C=CC=C(C(=O)N)C=2))
NICOTINAMIDE_RIBOSE	C(O)[C@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(C=CC=C(C(=O)N)C=2))
NICOTINATE_NUCLEOTIDE	C(OP([O-])(=O)[O-])[C@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(C=CC=C(C(=O)[O-])C=2))
NICOTINE	C1(CC[C@H]([N+](C)1)C2(/C=NC=CC=2))
NITRATE	N(=O)(=O)[O-]
NITRIC-OXIDE	N=O
NITRITE	N([O-])=O
NITROGEN-MOLECULE	N#N
NITROUS-OXIDE	N#N=O
NOCARDICIN-A	C3([C@H](NC(=O)C(C1(/C=CC(\OCC[C@@H]([N+])C(=O)[O-])=C/C=1))=NO)C(=O)N([C@H](C2(/C=CC(\O)=C/C=2))C(=O)[O-])3)
NOCARDICIN-E	C3([C@H](NC(=O)C(C1(/C=CC(\O)=C/C=1))=NO)C(=O)N([C@H](C2(/C=CC(\O)=C/C=2))C(=O)[O-])3)
NONAPRENYL-4-HYDROXYBENZOATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C=C(C(=O)[O-])C=CC(\O)=1)
NORSPERMIDINE	C(CC[N+]CCC[N+])[N+]
O-PHENANTHROLINE	C1(C=CC2(C=CC3(C=CC=NC(C(N=1)=2)=3)))
O-PHOSPHO-L-HOMOSERINE	C(COP([O-])(=O)[O-])[C@H]([N+])C([O-])=O
O-SUCCINYL-L-HOMOSERINE	C(CC(=O)OCC[C@@H](C([O-])=O)[N+])C([O-])=O
O-SUCCINYLBENZOATE	C1(/C=CC(/C(=O)[O-])=C(C=1)/C(=O)CCC(=O)[O-])
OCTANOL	CCCCCCCCO
OCTAPRENYL-DIPHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
OCTAPRENYL-METHOXY-BENZOQUINONE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(/C(/O)=C(C=C(C=1)O)/OC)
OCTAPRENYL-METHYL-METHOXY-BENZQ	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C(/C)=C(C=C(C(\O)=1)OC)/O)
OCTAPRENYL-METHYL-OH-METHOXY-BENZQ	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C(/C)=C(C(/O)=C(C(\O)=1)/OC)/O)
OH	[O-]
OH-MYRISTOYL	CCCCCCCCCCC[C@H](CC(N[C@H]1([C@H]([C@@H]([C@H](O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))CO)O)OC(C[C@@H](CCCCCCCCCCC)O)=O))=O)O
OH-PYR	C(C(=O)C([O-])=O)O
OLEANDOMYCIN	C[C@@H]4(C[C@]1(CO1)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)OC(=O)[C@H](C)[C@@H](O[C@@H]2(C[C@H](OC)[C@@H](O)[C@H](C)O2))[C@H](C)[C@@H](O[C@H]3(O[C@H](C)C[C@@H]([C@@H](O)3)[N+](C)C))4)
OLEATE-CPD	CCCCCCCCC=CCCCCCCCC([O-])=O
OLEOYL-COA	CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
OROTATE	C1(/C(=O)NC(NC(\C([O-])=O)=1)=O)
OROTIDINE-5-PHOSPHATE	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C(\C(=O)[O-])=C/C(=O)NC(=O)2))
OX-COENZYME-F420	C[C@@H](C(=O)N[C@H](C([O-])=O)CCC(=O)N[C@H](C([O-])=O)CCC(=O)[O-])OP([O-])(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)CN2(C1(C(\C(=O)[N-]C(=O)N=1)=C/C3(/C\2=C/C(\O)=C/C=3)))
OXALACETIC_ACID	C(C([O-])=O)C(=O)C([O-])=O
OXALATE	C([O-])(C(=O)[O-])=O
OXAMATE	C(C([O-])=O)(=O)N
OXIDIZED-GLUTATHIONE	C(SSC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
OXYGEN-MOLECULE	O=O
P-AMINO-BENZOATE	C(=O)([O-])C1(/C=CC(\N)=C/C=1)
P-BENZOQUINONE	C1(/C(=O)C=CC(=O)C=1)
P-COUMAROYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=CC(\O)=C/C=1))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
P-HYDROXY-PHENYLPYRUVATE	C1(/C(\CC(C([O-])=O)=O)=C/C=C(C=1)O)
P-NITROPHENOL	C1(\C=C([O-])C=CC(\[N+](=O)[O-])=1)
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE	C(OP([O-])([O-])=O)[C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C(\N)=C(C(=O)NC(C([O-])=O)CC([O-])=O)/N=C1))O2)
P3I	[O-]P(OP(=O)(OP([O-])(=O)[O-])[O-])([O-])=O
PALMITALDEHYDE	CCCCCCCCCCCCCCC[CH]=O
PALMITATE	CCCCCCCCCCCCCCCC([O-])=O
PALMITYL-COA	CCCCCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O
PANTETHEINE-P	CC([C@@H](O)C(=O)NCCC(NCCS)=O)(C)COP([O-])(=O)[O-]
PANTOTHENATE	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
PAPS	C([C@H]3([C@H]([C@H]([C@H](N1(C2(N=CN=C(C(N=C1)=2)N)))O3)O)OP(=O)([O-])[O-]))OP(OS([O-])(=O)=O)([O-])=O
PB+2	[Pb++]
PENICILLIN-G	CC3(C)(S[C@@H]2(N(C(=O)[C@@H](NC(=O)CC1(/C=CC=CC=1))2)[C@@H](C(=O)[O-])3))
PENICILLIN-N	CC1(C)(S[C@H]2([C@@H](C(=O)N([C@@H](C(=O)[O-])1)2)NC(=O)CCC[C@@H]([N+])C(=O)[O-]))
PENTANOYLCOA-CPD	CCCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
PHE	C([O-])(=O)[C@@H]([N+])CC1(/C=CC=CC=1)
PHENOL	C1(/C=CC(\O)=C/C=1)
PHENYL-PYRUVATE	C([O-])(=O)C(=O)CC1(/C=CC=CC=1)
PHENYLACETALDEHYDE	[CH](=O)CC1(/C=CC=CC=1)
PHENYLACETALDOXIME	C1(/C=CC(\CC=NO)=C/C=1)
PHENYLACETATE	C([O-])(=O)CC1(/C=CC=CC=1)
PHENYLACETONITRILE	C1(/C=CC(\CC#N)=C/C=1)
PHENYLGLYOXAL	C1(/C=CC(\C(=O)C=O)=C/C=1)
PHENYLGLYOXYLATE	C(=O)(C(C1(/C=CC=CC=1))=O)[O-]
PHENYLHYDRAZINE	C1(/C=CC(\NN)=C/C=1)
PHMB	C1(=CC=C(C=C1)C(=O)[O-])[Hg]O
PHOSPHATIDYLETHANOLAMINE-KDO2	CCCCCCCCCCC[C@@H](O)CC(=O)N[C@@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)1)CO[C@H]4(O[C@H](CO[C@@]3(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O)[C@H](O[C@@]2(O[C@H]([C@@H](CO)OP([O-])(=O)OCC[N+])[C@H](O)[C@H](O)C2)C(=O)[O-])C3))[C@H]([C@@H]([C@H]4NC(=O)C[C@H](O)CCCCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])([O-])=O))
PHOSPHO-ENOL-PYRUVATE	C=C(OP([O-])([O-])=O)C([O-])=O
PHOSPHORIBOSYL-AMP	C([C@H]4([C@H]([C@H]([C@H](N2(C(C3(N=CN([C@@H]1([C@@H]([C@@H]([C@H](O1)COP([O-])(=O)[O-])O)O))C(N=C2)=3))=N))O4)O)O))OP([O-])([O-])=O
PHOSPHORIBOSYL-ATP	C([C@H]4([C@H]([C@H]([C@H](N2(C(C3(N=CN([C@@H]1([C@@H]([C@@H]([C@H](O1)COP(OP(=O)([O-])OP(=O)([O-])O)(=O)[O-])O)O))C(N=C2)=3))=N))O4)O)O))OP([O-])([O-])=O
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE	C(OP([O-])([O-])=O)[C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=NC(\C([O-])=O)=C(N)/1))O2)
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE	C(OP([O-])(=O)[O-])[C@H]2([C@@H](O)[C@@H](O)[C@H](N1(C=NC(\C(=O)N)=C(NC=O)/1))O2)
PHOSPHORIBOSYL-FORMIMINO-AICAR-P	C(N[C@H]1(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)1))=NC3(N([C@H]2(O[C@H](COP([O-])(=O)[O-])[C@@H](O)[C@@H](O)2))C=NC(C(N)=O)=3)
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P	C(OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)C(=O)CN=CNC2(/N([C@@H]1([C@H](O)[C@@H]([C@@H](COP(=O)([O-])[O-])O1)O))C=NC(\C(=O)N)=2)
PHOSPHORYL-CHOLINE	C[N+](CCOP([O-])([O-])=O)(C)C
PHOSPHORYL-ETHANOLAMINE	C(C[N+])OP([O-])([O-])=O
PHTHALATE	C(C1(\C=CC=CC(/C([O-])=O)=1))([O-])=O
PHYTANATE	CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)[O-]
PHYTYL-PYROPHOSPHATE	CC(CCC[C@H](CCC[C@H](CCCC(/C)=C/COP([O-])(=O)OP([O-])(=O)[O-])C)C)C
PICOLINATE	C1(/N=C(C=CC=1)C([O-])=O)
PORPHOBILINOGEN	C(C1(/NC=C(C(\CC(=O)[O-])=1)CCC(=O)[O-]))[N+]
PPI	O=P(O)(OP([O-])([O-])=O)[O-]
PQQ	C1(\C(=NC2(/C(=O)C(=O)C3(/C=C(C(=O)[O-])NC(/C(/C(\C(=O)[O-])=1)=2)=3)))C(=O)[O-])
PRECURSOR-Z	C1(OP([O-])(=O)OC2(C1O[C@H]3([C@H](C(=O)2)NC4(/C(=O)NC(N)=NC(/N3)=4))))
PREGNENOLONE	CC(=O)[C@@H]3(CC[C@@H]4([C@H]2(CC=C1(C[C@@H](O)CC[C@@](C)1[C@H]2CC[C@](C)34))))
PREPHENATE	C(=O)([O-])C(=O)C[C@]1(C(=O)[O-])(C=C[C@@H](O)C=C1)
PRO	C1([N+][C@@H](CC1)C(=O)[O-])
PROCLAVAMINATE	C1(CC(=O)N1[C@H](C(=O)[O-])[C@H](O)CC[N+])
PROGESTERONE	CC(=O)[C@@H]3(CC[C@@H]4([C@H]2(CCC1(/[C@@](CCC(=O)C=1)(C)[C@H]2CC[C@](C)34))))
PROPANE-1-2-DIOL	C[C@@H](CO)O
PROPANOL	CCCO
PROPIONATE	CCC(=O)[O-]
PROPIONYL-COA	CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
PROPIONYL-P	CCC(OP([O-])([O-])=O)=O
PROTOHEME	C=CC6(/C(\C)=C7(C=C8(C(\C)=C(CCC(=O)[O-])/C5(=[N+]([Fe--]13(N(C(\C=C2(C(\C)=C(C=C)/C(=[N+]12)C=C4(C(\C)=C(CCC(=O)[O-])/C(/N34)=C/5)))=6)7))8))))
PROTON	[H+]
PROTOPORPHYRINOGEN	C=CC2(/C(\C)=C1(CC5(/NC(\CC4(/NC(\CC3(/NC(\CC(/N1)=2)=C(C)/C(\C=C)=3))=C(C)/C(\CCC([O-])=O)=4))=C(CCC(=O)[O-])/C(\C)=5)))
PROTOPORPHYRIN_IX	C=CC4(/C(\C)=C3(C=C5(C(\C)=C(CCC([O-])=O)/C(C=C1(C(\CCC([O-])=O)=C(C)/C(/N1)=C/C2(C(\C=C)=C(C)/C(/N=2)=C/C(/N3)=4)))=N5)))
PRPP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H](OP([O-])(=O)OP([O-])(=O)[O-])[C@H](O)[C@H](O)1)
PSEUDOURIDINE-5-P	C2(/NC(=O)NC(=O)C(\[C@H]1(O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)1))=2)
PSICOSELYSINE	C(C(=O)[C@H](O)[C@H](O)[C@@H](CO)O)[N+]CCCC[C@H]([N+])C(=O)[O-]
PUTRESCINE	C([N+])CCC[N+]
PYRAZINAMIDE	C1(/N=CC=NC(\C(=O)N)=1)
PYRAZINOIC-ACID	C1(/N=CC=NC(\C([O-])=O)=1)
PYRIDINE	C1(/N=CC=CC=1)
PYRIDOXAL	CC1(\N=CC(/CO)=C(C(\O)=1)/C=O)
PYRIDOXAL_PHOSPHATE	CC1(\N=CC(/COP(=O)([O-])[O-])=C(C(\O)=1)/C=O)
PYRIDOXINE	CC1(=NC=C(C(/CO)=C1/O)CO)
PYRUVATE	CC(=O)C(=O)[O-]
Pi	[O-]P(=O)(O)[O-]
QUINATE	C(=O)([O-])[C@@]1(O)(C[C@@H](O)[C@H](O)[C@H](O)C1)
QUININE	C=C[C@H]1([C@@H]2(CC[N+](C1)[C@@H](C2)[C@H](O)C3(/C4(/C(\N=CC=3)=C/C=C(OC)C=4))))
QUINOLINATE	C1(/N=C(C([O-])=O)C(\C([O-])=O)=C/C=1)
R-1-AMINOPROPAN-2-YL-PHOSPHATE	C[C@H](C[N+])OP(=O)([O-])[O-]
RB+	[Rb+]
REDUCED-MENAQUINONE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CC1(\C(/C)=C(C2(/C(\C(\O)=1)=C/C=CC=2))/O)
RETINAL	CC(\C=CC1(/C(C)(C)CCCC(\C)=1))=C/C=CC(/C)=C/[CH]=O
RETINOATE	CC(\C=CC1(/C(C)(C)CCCC(\C)=1))=C/C=CC(/C)=C/C(=O)[O-]
RHAMNULOSE-1P	C[C@@H]([C@@H]([C@H](C(COP([O-])(=O)[O-])=O)O)O)O
RIBITOL	C(O)[C@@H](O)[C@@H](O)[C@@H](O)CO
RIBOFLAVIN	CC3(/C=C2(C(\N(C[C@H](O)[C@H](O)[C@H](O)CO)C1(C(C(=O)[N-]C(=O)N=1)=N2))=C/C(\C)=3))
RIBOSE-15-BISPHOSPHATE	C([C@@H]1(O[C@@H]([C@@H]([C@@H]1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O
RIBOSE-1P	C(O)[C@H]1([C@@H](O)[C@@H](O)[C@@H](OP(=O)([O-])[O-])O1)
RIBULOSE-5P	C([C@H]([C@H](C(CO)=O)O)O)OP([O-])([O-])=O
RIFAMYCIN-O	C[C@H]4([C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(=O)C)[C@H](C)[C@@H](OC)C=CO[C@]1(C)(C(=O)C5(\C(\O1)=C(C)/C(/O)=C3(C(/C2(OCC(=O)O2)C=C(C(=O)3)NC(=O)C(\C)=C/C=C4)=5))))
RUTIN	C[C@@H]1([C@H](O)[C@@H](O)[C@@H](O)[C@@H](O1)OC[C@H]2([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O2)OC4(/C(=O)C5(\C(\O)=C/C(\O)=C/C(/OC(/C3(/C=C(O)C(\O)=C/C=3))=4)=5))))
RX	[R][X]
S-2-AMINOETHYL-L-CYSTEINE	C(CSC[C@@H](C([O-])=O)[N+])[N+]
S-24-DINITROPHENYLGLUTATHIONE	C(SC1(\C=CC(\[N+]([O-])=O)=C/C(/[N+]([O-])=O)=1))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
S-3-HYDROXYBUTANOYL-COA	C[C@@H](CC(SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-])=O)O
S-ADENOSYLMETHIONINAMINE	C[S+](CCC[N+])C[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N3(C=NC2(/C(=NC=NC(/N)=2)3)))
S-ADENOSYLMETHIONINE	C[S+](C[C@H]3([C@@H](O)[C@@H](O)[C@H](N1(C2(N=CN=C(N)C(N=C1)=2)))O3))CC[C@@H](C([O-])=O)[N+]
S-ALLANTOIN	C(=O)(N)N[C@@H]1(NC(=O)NC(=O)1)
S-LACTOYL-GLUTATHIONE	C[C@@H](O)C(=O)SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
S-METHYLGLUTATHIONE	CSC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([N+])C([O-])=O
S-TUBERCIDINYLHOMOCYSTEINE	C1(/N(C2(N=CN=C(N)C(C=1)=2))[C@H]3(O[C@H](CSCC[C@H]([N+])C(=O)[O-])[C@@H](O)[C@@H](O)3))
S2O3	O=S(=O)([O-])S
S2O4	[O-]S(=O)S(=O)[O-]
SALICYLALDEHYDE	C1(/C=CC(/O)=C(C=1)/[CH]=O)
SANGUINARINE	C[N+]2(C5(\C6(C=C1(OCOC/1=C/C(C=CC(/C3(/C=CC4(/OCOC(\C(/C=2)=3)=4)))=5)=6))))
SARCOSINE	C[N+]CC(=O)[O-]
SEPO3	[O-]P([O-])(O)=[Se]
SER	C(O)[C@H]([N+])C(=O)[O-]
SHIKIMATE	C1(\[C@@H](O)[C@@H](O)[C@@H](CC(\C(=O)[O-])=1)O)
SHIKIMATE-5P	C(=O)([O-])C1(/C[C@@H](O)[C@H](O)[C@H](OP(=O)([O-])[O-])C=1)
SINAPALDEHYDE	COC1(\C=C(C=CC=O)C=C(OC)C(/O)=1)
SINAPATE	COC1(\C=C(C=C(OC)C(/O)=1)C=CC([O-])=O)
SINAPOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C=CC1(C=C(OC)C(/O)=C(C=1)/OC))COP(=O)(OP(=O)(OC[C@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(N=CN=C(C(N=C3)=4)N))))[O-])[O-]
SINAPYL-ALCOHOL	COC1(\C=C(C=CCO)C=C(OC)C(/O)=1)
SINEFUNGIN	C3(N=C1(C(\N=CN1C2([C@@H]([C@@H]([C@H](O2)C[C@H](CC[C@@H](C(=O)[O-])[N+])[N+])O)O))=C(N)/N=3))
SIROHEME	C[C@]4(CC(=O)[O-])([C@H](CCC(=O)[O-])C7(/[N+]5([Fe--]26([N+]1(C(\C(\CCC([O-])=O)=C(CC(=O)[O-])/C=1C=C3([C@@](C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(/N23)=C/C4=5))=C/C8(/N6C(\C=7)=C(CC([O-])=O)/C(\CCC(=O)[O-])=8))))))
SIROHYDROCHLORIN	C[C@@]1(CC(=O)[O-])(C3(/NC(\[C@@H](CCC(=O)[O-])1)=C/C2(=NC(\C(\CCC(=O)[O-])=C(CC(=O)[O-])/2)=C/C5(/NC(\C=C4(N=C(C=3)[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])4))=C(CC(=O)[O-])/C(\CCC(=O)[O-])=5))))
SN-GERANYLGERANYLGLYCERYL-1-PHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/COC[C@@H](COP([O-])([O-])=O)O
SN-GLYCEROL-1-PHOSPHATE	C(OP([O-])(=O)[O-])[C@@H](O)CO
SO3	[O-]S([O-])=O
SORBITOL	C([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O
SPERMIDINE	C([N+])CC[N+]CCCC[N+]
SPERMINE	C(CCC[N+]CCC[N+])[N+]CCC[N+]
SQUALENE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC=C(C)CCC=C(C)CCC=C(C)C
SS-DIMETHYL-BETA-PROPIOTHETIN	C[S+](C)CCC(=O)[O-]
STAUROSPORINE	C[C@]15(O[C@H](C[C@@H]([N+]C)[C@@H](OC)1)N2(C8(\C=CC=CC(/C3(C7(/C(=O)NCC(\C4(C6(\C=CC=CC(/N(C(C2=3)=4)5)=6)))=7)))=8)))
STEARIC_ACID	CCCCCCCCCCCCCCCCCC(=O)[O-]
STEAROYL-COA	CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC([C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1([C@@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O1)N2(C=NC3(C(N)=NC=NC2=3))))=O
STREPTIDINE-6-PHOSPHATE	C(N[C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H](O)1)O)OP([O-])([O-])=O)NC(N)=[N+])O))(N)=[N+]
STREPTOMYCIN	C[C@H]3(O[C@@H](O[C@@H]1([C@H](O)[C@@H](O)[C@H](NC(N)=[N+])[C@@H](O)[C@H](NC(N)=[N+])1))[C@H](O[C@H]2(O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]([N+]C)2))[C@@](O)(C=O)3)
SUC	C(C([O-])=O)CC([O-])=O
SUC-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-])COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
SUCC-S-ALD	C([CH]=O)CC(=O)[O-]
SUCROSE	C(O)[C@@H]1(O[C@@H]([C@H](O)[C@@H](O)[C@H](O)1)O[C@]2(CO)(O[C@H](CO)[C@@H](O)[C@H](O)2))
SUCROSE-6P	C(OP(=O)([O-])[O-])[C@@H]2(O[C@@](CO)(O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))[C@@H](O)[C@H](O)2)
SULFATE	O=S(=O)([O-])[O-]
SULFO-CYSTEINE	C([C@H]([N+])C(=O)[O-])SS([O-])(=O)=O
SULFOACETALDEHYDE	[CH](=O)CS([O-])(=O)=O
SULFUR-DIOXIDE	O=S=O
SUPER-OXIDE	[O-]O
T2-C4-DECADIENYL-COA	CCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
T2-DECENOYL-COA	CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
TAGATOSE	C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)CO
TAGATOSE-1-6-DIPHOSPHATE	C(OP([O-])(=O)[O-])[C@@H]1(OC(O)(COP([O-])([O-])=O)[C@@H](O)[C@H]1O)
TAGATOSE-6-PHOSPHATE	C([C@@H]1(OC([C@H]([C@H]1O)O)(O)CO))OP([O-])([O-])=O
TARTRATE	C([C@@H]([C@H](C([O-])=O)O)O)([O-])=O
TARTRONATE-S-ALD	[CH](=O)C(O)C(=O)[O-]
TAURINE	C(S(=O)(=O)[O-])C[N+]
TDP	CC1(/C(=O)NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])[O-])O2))
TDP-D-FUCOSAMINE	CC3(/C(NC(N([C@H]2(O[C@H](COP(OP(O[C@H]1([C@@H]([C@H]([C@@H]([N+])[C@H](O1)C)O)O))([O-])=O)([O-])=O)[C@H](C2)O))C=3)=O)=O)
TDP-FUC4NAC	CC1(/C(=O)NC(=O)N(C=1)[C@@H]3(C[C@H](O)[C@@H](COP(=O)([O-])OP([O-])(=O)O[C@@H]2(O[C@H](C)[C@H](NC(=O)C)[C@H](O)[C@@H](O)2))O3))
TEREPHTHALATE	C(C1(/C=CC(\C([O-])=O)=C/C=1))([O-])=O
TESTOSTERONE	C[C@]34([C@@H]2([C@H]([C@@H]1([C@@](C)([C@@H](O)CC1)CC2))CCC/3=C/C(=O)CC4))
TETRACHLOROETHENE	C(Cl)(Cl)=C(Cl)Cl
TETRAHYD-CPD	C2(/C(\O)=C/C(/O)=C1(C(\C=C(C=C1O)O)=2))
THF	C(NC1(/C=CC(\C(=O)N[C@H](C(=O)[O-])CCC([O-])=O)=C/C=1))[C@@H]2(CNC3(\N=C(N)NC(=O)C(\N2)=3))
THIABENDAZOLE	C3(=NC(\C1(NC2(\C=CC=CC(/N=1)=2)))=C/S3)
THIAMINE	CC1(/[N+](=CSC(\CCO)=1)CC2(/C=NC(C)=NC(\N)=2))
THIAMINE-P	CC1(/[N+](=CSC(\CCOP([O-])(=O)[O-])=1)CC2(/C=NC(C)=NC(\N)=2))
THIAMINE-PYROPHOSPHATE	CC1(/[N+](=CSC(\CCOP([O-])(=O)OP([O-])(=O)[O-])=1)CC2(/C=NC(C)=NC(\N)=2))
THR	C[C@@H](O)[C@H]([N+])C(=O)[O-]
THREO-3-HYDROXY-L-ASPARTATE	C(=O)([O-])[C@@H](O)[C@H]([N+])C(=O)[O-]
THREO-DS-ISO-CITRATE	C(=O)([C@@H](CC([O-])=O)[C@@H](O)C([O-])=O)[O-]
THYMIDINE	CC1(/C(=O)NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](CO)O2))
THYMINE	CC1(/C(=O)NC(NC=1)=O)
THZ	CC1(/N=CSC(\CCO)=1)
THZ-P	CC1(/N=CSC(\CCOP([O-])(=O)[O-])=1)
TMP	CC1(/C(=O)NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2))
TOLUENE	CC1(/C=CC=CC=1)
TOLUENECISDHDIOL	CC1(/[C@H]([C@H](C=CC=1)O)O)
TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E	C1(\C(\OC(=O)C(\Cl)=1)=C/C(=O)[O-])
TRANS-2-HEXENAL	CCCC=C[CH]=O
TRANS-2-HEXENOL	CCCC=CCO
TRANS-23-DEHYDROADIPYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C=CCCC(=O)[O-])=O)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
TRANS-3-METHYL-GLUTACONYL-COA	CC(\CC(=O)[O-])=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(N=CN=C(C(N=C2)=3)N))))[O-])[O-]
TREHALOSE	C([C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)))O
TREHALOSE-6P	C([C@@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@H]2([C@@H]([C@H]([C@@H]([C@H](O2)COP([O-])(=O)[O-])O)O)O)))O
TRICHLOROETHENE	C(Cl)=C(Cl)Cl
TRICHLOROPHENOL	C1(\C(\Cl)=C/C(/Cl)=C(C(\Cl)=1)/[O-])
TRIMETHYLAMINE	C[N+](C)C
TRIMETHYLAMINE-N-O	CN(=O)(C)C
TRP	C1(/NC2(\C=CC=CC(/C(\C[C@H]([N+])C(=O)[O-])=1)=2))
TTP	CC1(/C(=O)NC(=O)N(C=1)[C@@H]2(C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])O2))
TUNGSTATE	O=[W](=O)([O-])[O-]
TYR	C([C@H](CC1(/C=CC(\O)=C/C=1))[N+])(=O)[O-]
TYRAMINE	C1(/C=C(O)C=CC(\CC[N+])=1)
UDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2))
UDP-4-AMINO-4-DEOXY-L-ARABINOSE	C(OP(=O)([O-])OP(=O)([O-])O[C@@H]1(OC[C@H]([N+])[C@H](O)[C@@H](O)1))[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3))
UDP-AA-GLUTAMATE	C[C@H](NC(=O)[C@@H](C)O[C@H]1([C@H]([C@H](O[C@@H]([C@@H](O)1)CO)OP(=O)([O-])OP(=O)([O-])OC[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3)))NC(C)=O))C(=O)N[C@H](CCC([O-])=O)C(=O)[O-]
UDP-AAGM-DIAMINOHEPTANEDIOATE	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C([O-])=O)NC(=O)[C@@H](C)O[C@@H]1([C@H](O)[C@@H](CO)O[C@@H]([C@H](NC(=O)C)1)OP([O-])(=O)OP([O-])(=O)OC[C@H]2([C@@H](O)[C@@H](O)[C@@H](O2)N3(C=CC(=O)NC(=O)3)))
UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE	C=C(O[C@@H]3([C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](NC(C)=O)3))C(=O)[O-]
UDP-D-GALACTO-14-FURANOSE	C(OP(=O)([O-])OP(=O)([O-])O[C@@H]1(O[C@@H]([C@H](O)CO)[C@H](O)[C@@H](O)1))[C@@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(C=CC(=O)NC(=O)3))
UDP-D-XYLOSE	C3(O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](O)[C@@H](O)[C@H](O)3)
UDP-GLUCURONATE	C([C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))OP(=O)([O-])OP(=O)([O-])O[C@@H]3(O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@@H](O)3)
UDP-L-ARA4-FORMYL-N	C3(O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(OC([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](O)[C@@H](O)[C@H]3N[CH]=O)
UDP-L-RHAMNOSE	C[C@H]3(O[C@H](OP(OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))([O-])=O)[C@H](O)[C@H](O)[C@@H](O)3)
UDP-MANNAC	CC(=O)N[C@@H]3([C@@H](O)[C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))3)
UDP-MANNACA	CC(=O)N[C@@H]1([C@@H](O)[C@@H]([C@@H](C([O-])=O)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]2([C@@H](O)[C@@H](O)[C@@H](O2)N3(C=CC(=O)NC(=O)3)))O)
UDP-MURNAC-TETRAPEPTIDE	C[C@H](NC(=O)[C@@H](C)O[C@@H]3([C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](NC(C)=O)3))C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([N+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
UDP-N-ACETYL-2-AMINO-D-GLUCURONATE	CC(N[C@@H]3([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@H]([C@@H]3O)O)C([O-])=O))=O
UDP-N-ACETYL-D-GLUCOSAMINE	CC(=O)N[C@@H]3([C@@H](OP(OP(OC[C@H]1([C@H]([C@H]([C@@H](O1)N2(C=CC(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@H]([C@@H]3O)O)CO)
UDP-N-ACETYLMURAMATE	C[C@H](C([O-])=O)O[C@@H]3([C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](NC(C)=O)3)
UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMYL	C[C@H]([N+])C(=O)NCCCC[C@@H](C(=O)N[C@H](C)C(N[C@@H](C(=O)[O-])C)=O)NC(=O)CC[C@H](C([O-])=O)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@@H]3([C@H](O)[C@@H](CO)O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))[C@H](NC(C)=O)3)
UDP-OHMYR-ACETYLGLUCOSAMINE	CCCCCCCCCCC[C@H](CC(O[C@H]3([C@H]([C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)NC(=O)C))=O)O
UDP-OHMYR-GLUCOSAMINE	CCCCCCCCCCC[C@H](CC(O[C@H]3([C@H]([C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)[N+]))=O)O
UDP-SULFOQUINOVOSE	C(OP(=O)([O-])OP(=O)(O[C@@H]1(O[C@H](CS(=O)(=O)[O-])[C@@H](O)[C@H](O)[C@@H](O)1))[O-])[C@H]2([C@@H](O)[C@@H](O)[C@@H](O2)N3(C=CC(=O)NC(=O)3))
UMP	C(OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2))
UNDECAPRENYL-DIPHOSPHATE	CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/COP(=O)([O-])OP(=O)([O-])[O-]
URACIL	C1(/NC(=O)NC(=O)C=1)
URATE	C12(NC(=O)NC(C(=O)NC(=O)N1)=2)
UREA	C(=O)(N)N
URIDINE	C(O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2))
UROCANATE	C1(/NC=NC(\C=CC([O-])=O)=1)
UROPORPHYRINOGEN-III	C(=O)([O-])CCC2(/C(\CC(=O)[O-])=C1(CC5(/NC(\CC4(/NC(\CC3(/NC(\CC(/N1)=2)=C(CCC(=O)[O-])/C(\CC(=O)[O-])=3))=C(CC(=O)[O-])/C(\CCC(=O)[O-])=4))=C(CC([O-])=O)/C(\CCC(=O)[O-])=5)))
UTP	C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=CC(=O)NC(=O)2))
VAL	CC(C)[C@H]([N+])C([O-])=O
VALERATE	CCCCC(=O)[O-]
VALIDAMYCIN-A	C(C1(/[C@H]([C@@H]([C@H]([C@H](C=1)[N+][C@H]2([C@@H]([C@H]([C@@H]([C@H](C2)CO)O[C@H]3(O[C@@H]([C@H]([C@@H]([C@H]3O)O)O)CO))O)O))O)O)O))O
VANILLATE	COC1(/C(\O)=C/C=C(C=1)C(=O)[O-])
VANILLIN	COC1(/C(\O)=C/C=C([CH]=O)C=1)
VANILLYL_MANDELATE	COC1(/C(\O)=C/C=C(C=1)[C@@H](O)C(=O)[O-])
WATER	[OH2]
XANTHINE	C12(NC(=O)NC(C(N=CN1)=2)=O)
XANTHOSINE	C(O)[C@@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(C=NC3(\C(=O)NC(=O)NC/2=3)))
XYLITOL	C(O)[C@H](O)[C@@H](O)[C@H](O)CO
XYLOSE	C1(O[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
XYLULOSE-5-PHOSPHATE	C(OP([O-])(=O)[O-])[C@@H](O)[C@H](O)C(=O)CO
ZN+2	[Zn++]