(Compounds Polynucleotides)	SMILES
CPD-731	CC\C=C/C[C@@H]1(C(=O)CC[C@@H]1CC([O-])=O)
CPD-11529	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-15124	C(=O)(C[C@H]1(\C=C/C(=O)O1))[O-]
CPD-734	CC\C=C/C[C@H]1(C(=O)CC[C@@H]1CC([O-])=O)
CPD1F-2	CC\C=C/C[C@H]1(C(=O)CC[C@@H]1CC(OC)=O)
CPD-19106	C(C1(\[C@@H]2(NC3(/C=C\C=C/C(/N=C(\C=C/C=1)\2)=3))))(=O)[O-]
CPD-14422	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-14268	CCCCCCCC\C=C/CCCCCCCCCCCCCC(=O)[O-]
CPD-14269	CCCCCCCC\C=C/CCCCCCCCCCCCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
4-OXALOMESACONATE	C(=O)([O-])/C=C(CC(C([O-])=O)=O)/C([O-])=O
3-HYDROXY-5917-TRIOXO-45910-DISECOA	CC(/C(=O)CC[C@@H]1(C(=O)CC[C@]2(C)(C(=O)CC[C@@H]12)))=C\C=C(C(=O)[O-])/O
CPD-12849	C(/C(/C(=O)[O-])=C\C(=O)[O-])=C(C(=O)[O-])\O
CPD-19108	C([C@@H]1(\C=C/CC2(\NC3(/C=C\C=C/C(/NC\1=2)=3))))(=O)[O-]
CPD-19103	C([O-])(=O)C1(\C2(\N=C3(C\C=C/[C@H]([C@H](NC(/C=C\C=1)=2)3)C(=O)[O-])))
CPD-19105	C([C@@H]1(\C=C/CC2(\[C@H]1NC3(/C=C\C=C/C(/N=2)=3))))(=O)[O-]
CPD-19102	C([C@@H]1(\C=C/CC2(\[C@H]1NC3(O)(C\C=C/[C@@H](C([O-])=O)C(\N=2)3))))(=O)[O-]
CPD-12990	C([C@@H]1(\C=C/CC2(\[C@H]1NC3(/C\C=C/[C@@H](C([O-])=O)C(\N=2)=3))))(=O)[O-]
CPD-9521	C([C@@H]1(\C=C/CC([C@H]1[NH3+])=O))(=O)[O-]
INDOLE-3-GLYCEROL-P	C1(/NC2(/C=C\C=C/C(/C(/[C@@H]([C@@H](COP([O-])(=O)[O-])O)O)=1)=2))
CPD-185	C(\C=C(\C=C(C([O-])=O)/O)/C([O-])=O)([O-])=O
CPD-62	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP([O-])(=O)OC(=O)C4(/C=C\C=C(C(\O)=4)\O)
CPD-19114	C([O-])(=O)CC(C1(\C(\N)=C/C=C\C=1))=O
CPD-19113	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(C1(\C(\N)=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-1106	C(CP([O-])(O)=O)[NH3+]
CPD-7737	C(C[C@]1(OC(\C=C/1)=O)C([O-])=O)([O-])=O
CPD-11495	C(=O)([O-])CC1(/C=C\C=C/C(/O)=1)
CPD-13174	C(C1(O)(C(=O)CC\C=C/1))(OCC2(/C=C\C=C/C(/O)=2))=O
CPD-7243	C[C@H](CC/C=C(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=C/N=C(C(\N=C/2)=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))))
CPD-10589	C[C@H](CC/C=C(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)[C@H]4(CC[C@@H]5([C@@](C)4CC[C@H]6([C@H]5[C@H](O)C[C@H]7([C@@](C)6CC[C@@H](O)C7))))
CPD-7275	C[C@H](CC[C@@H](O)[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=C/N=C(C(\N=C/2)=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))))
CPD-10590	C[C@H](CC[C@@H](O)[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)[C@H]4(CC[C@@H]5([C@@](C)4CC[C@H]6([C@H]5[C@H](O)C[C@H]7([C@@](C)6CC[C@@H](O)C7))))
CPD-13689	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-13691	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=C/N=C(C(\N=C/2)=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-18271	CC(/C([O-])=O)=C\C(CC(=O)C([O-])=O)=O
CPD-22373	CC(C)=CCCC(\C)=C/CS
CPD-18273	CC(/C(CC(=O)C([O-])=O)=O)=C\C([O-])=O
CPD-13756	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/[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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-21417	CC(C(=O)CCC(=O)[O-])/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
T2-DECENOYL-COA	CCCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-7222	CCCCCCCCC/C=C/C(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-9768	CCCCCCCCCCCCC/C=C/C(=O)[O-]
CPD0-2117	CCCCCCCCCCCCC/C=C/C(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
CPD0-2108	CCCCC/C=C/C(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
CPD-10262	CCCCCCCCCCCCCCC/C=C/C(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
CPD1G01-2	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CCCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-15568	CCCCCCCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-15661	CCCCCC/C=C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17813	CCCC\C=C/CCCCCCC/C=C/C(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
CPD-19163	CCCCCC\C=C/CCCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15566	CCCCCCCCC/C=C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
T2-C4-DECADIENYL-COA	CCCCC\C=C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15654	CCCCCC\C=C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19150	CCCCCC\C=C/C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-1162	CCCCCCCC\C=C/C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
FARNESYL-PP	CC(C)=CCCC(\C)=C/CCC(\C)=C/COP(OP([O-])(=O)[O-])(=O)[O-]
CPD-18492	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-17386	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-19170	CCCCCCCC\C=C/CCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19161	CCCCCC\C=C/CCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19162	CCCCCC\C=C/CCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19172	CCCCCCCC\C=C/CCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-13357	CC(C)(O)[C@@H](O)C(=O)[O-]
CPD-12699	CC[C@](C)(O)C#N
CPD-618	C[C@@]([C@H](CC([O-])=O)C([O-])=O)(C([O-])=O)O
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE	CC(C)[C@H](C([O-])=O)[C@H](C([O-])=O)O
CPD-19757	CC(=O)N[C@@H](CC[NH3+])C(=O)[O-]
CPD-9517	C=C(O[C@H]1(\C=C/C=C([C@@H]1[NH3+])/C(=O)[O-]))C(=O)[O-]
CPD-7100	CC([C@H](C(=O)[O-])C(=O)C(=O)[O-])C
3-CARBOXY-3-HYDROXY-ISOCAPROATE	CC(C)[C@@](O)(CC(=O)[O-])C([O-])=O
CPD-9406	CC[C@H](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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)C([O-])=O
DIHYDRO-DIOH-BENZOATE	C([O-])(=O)C1(\[C@@H]([C@H](\C=C/C=1)O)O)
CPD-622	C[C@H](C(=O)[O-])[C@@](O)(CC(=O)[O-])C(=O)[O-]
2-METHYL-3-HYDROXY-BUTYRYL-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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])[C@H](C)O
CPD-14443	C1([C@H](O)CC(/C([O-])=O)=N\[C@@H]1C([O-])=O)
CPD-15056	C\C=C(C(=O)[O-])/N
CPD-14447	C=C\C=C(C([O-])=O)/O
CPD-13339	C([O-])(=O)/C=C/C=C(C(=O)[O-])\O
CPD-18635	C(\C(\O)=C/C=O)=C\C(=O)[O-]
CPD-787	C([O-])(=O)C\C=C/C=C(C(=O)[O-])\O
CPD-13712	C\C=C/C=C(C(=O)[O-])\O
CPD-782	C([O-])(=O)CC1(\C=C/C(/O)=C(\C=1)/O)
CPD-8742	C([O-])(=O)C/C=C/C(=O)C(=O)[O-]
CPD-15692	CCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15567	CCCCCCCCCC/C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-15655	CCCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-785	C(C[C@H](/C=C/C(C([O-])=O)=O)C([O-])=O)([O-])=O
CPD0-1158	CCCCCCCC\C=C/C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD0-1159	CCCCCCCC\C=C/C=C/CC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=C(CCC(=O)[O-])\4)
3OH-4P-OH-ALPHA-KETOBUTYRATE	C([C@H](C(C([O-])=O)=O)O)OP([O-])(=O)[O-]
CPD-12779	CCCCCCC[C@@H](O)CC(=O)[O-]
CPD-13533	CC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD-21418	CC(C(=O)CCC(=O)[O-])[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD-14419	CC\C=C/C\C=C/C\C=C/CCCCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PYRROLINE-HYDROXY-CARBOXYLATE	C1(\[C@H](O)C[C@@H](C([O-])=O)\N=1)
CPD-14424	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC[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=C/N=C(C(\N=C/2)=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17814	CCCC\C=C/CCCCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD-18493	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-17387	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC[C@H](O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-14925	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-7221	CCCCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CIS-3-HEXENOL	CC\C=C/CCO
CPD-15688	CCCCCC/C=C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
3-OXOADIPATE-ENOL-LACTONE	C(=O)(CC1(\OC(=O)C\C=1))[O-]
HYDRPHENYLAC-CPD	C(=O)CC1(\C=C/C(/O)=C\C=1)
4-HYDROXYPHENYLACETATE	C1(\C=C(\C=C/C(\CC(=O)[O-])=1)\O)
D-4-HYDROXY-2-KETO-GLUTARATE	C(C(=O)C([O-])=O)[C@H](C([O-])=O)O
CIS-4-HYDROXY-D-PROLINE	C1([NH2+][C@@H](C(=O)[O-])C[C@@H](O)1)
CPD-15016	C(C(=O)C([O-])=O)[C@@H](C([O-])=O)O
CPD-804	C(CC[C@H](O)CC(C([O-])=O)=O)([O-])=O
4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE	C(=O)[C@H]([C@H](CC(C([O-])=O)=O)O)O
CPD-786	C(C\C=C/CC(C([O-])=O)=O)([O-])=O
CPD-17365	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-10244	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)[O-]
CPD-17312	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19104	C(C1(\[C@@H]2(NC3(/C=C\C=C(C(\N=C(\C=C/C=1)/2)=3)\C([O-])=O))))(=O)[O-]
CPD-15691	CCCCCC/C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-10020	C2(=O)(NC(=O)[C@@H](CC1(\C=C/C=C\C=1))N2)
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=C/N=C(C(\N=C/4)=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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-10019	C2(=O)(NC(=O)[C@H](CC1(\C=C/C=C\C=1))N2)
CPD-9518	C([O-])(=O)C1(\[C@H]([NH3+])[C@@H](O)\C=C/C=1)
CPD-19148	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15436	CCCCCCCC\C=C/CCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-14423	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
5Z8Z11Z14Z17Z-EICOSAPENTAENOATE	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)[O-]
CPD-14018	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-22687	C=CC(C)(O)CC/C=C(C)/CC(O)C=C(C)C
CPD-5881	C[C@H](O)[C@H](O)[C@H]1(CNC2(\[C@@](O)(N1)C(=O)\N=C(N)/N=2))
CPD-14053	C[C@H](O)[C@H](O)[C@H]1(CNC2(/N=C(N)\NC(C(/N1)=2)=O))
CPD-15159	C[C@H](O)[C@H](O)[C@@H]1(/N=C2(C(/NC1)=N\C(/N)=N/C(=O)2))
CPD-18494	CCCCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-17388	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
DIHYDROPTERIN-CH2OH-PP	C1(C(/COP(=O)([O-])OP(=O)([O-])[O-])=N\C2(/C(=O)NC(/N)=N/C(\N1)=2))
CPD-19144	CCCCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19147	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-13792	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCCCCC(=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))))
CPD0-2518	CC(=O)NCP(=O)([O-])O
CPD0-1074	C(P([O-])(=O)[O-])[NH3+]
FERULOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/C1(/C=C(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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-7547	C(SC[C@H]([NH3+])C(=O)[O-])(CC1(\C2(\C(\N\C=1)=C/C=C\C=2)))=NO
CPD-21179	C(SC(/CC1(\C=C/C(/O)=C\C=1))=N/O)[C@H]([NH3+])C(=O)[O-]
CPD-7546	CSCCCC(\SC[C@H]([NH3+])C(=O)[O-])=N\O
CPDQT-408	CSCCCCCCC(/SC[C@H]([NH3+])C([O-])=O)=N\O
CPDQT-407	CSCCCCCC(/SC[C@H]([NH3+])C([O-])=O)=N\O
CPDQT-410	CSCCCCCCCCC(/SCC([NH3+])C([O-])=O)=N\O
CPDQT-409	CSCCCCCCCC(/SC[C@H]([NH3+])C([O-])=O)=N\O
CPDQT-406	CSCCCCC(/SC[C@H]([NH3+])C([O-])=O)=N\O
CPD-1861	C1(\NC2(/C=C\C=C/C(/C(\CC(/[S-])=N\O)=1)=2))
E-PHENYLITACONYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C(/CC(=O)[O-])=C/C1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-1083	C/C=C(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
MONOMETHYL-ESTER-OF-TRANS-ACONITATE	COC(=O)C(\CC(=O)[O-])=C/C(=O)[O-]
P-COUMAROYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/C1(\C=C/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
HYDROXY-METHYL-BUTENYL-DIP	CC(/CO)=C\COP(OP([O-])(=O)[O-])(=O)[O-]
CAFFEOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/C1(/C=C(C(/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
GLUTACONYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(/C=C/CC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
3-METHYLTHIOPROPYLHYDROXAMIC-ACID	CSCCCC(/S)=N\O
CPDQT-413	CSCCCCCCC(/S)=N\O
CPDQT-412	CSCCCCCC(/S)=N\O
CPDQT-415	CSCCCCCCCCC(/S)=N\O
CPDQT-414	CSCCCCCCCC(/S)=N\O
CPDQT-411	CSCCCCC(/S)=N\O
CPD-12634	C1(/NC2(/C=C\C=C/C(/C(/C(SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)C#N)=1)=2))
CPD-14704	CCCCCC(C(CC=O)SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)O
CPD-21160	CC2(\C(N1(N(C(/CSC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)=C(C)/C(=O)1)C(/C)=2))=O)
CPD0-930	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]5([C@H]([C@@H](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]1(O[C@H]([C@@H](CO)O)[C@@H](O)[C@H](O)[C@H](O)1))[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]5OP([O-])([O-])=O)OC[C@@H]6([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)O6))NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
CPD-237	C(N)(=O)CC1(\C2(/C=C\C=C/C(/N\C=1)=2))
INDOLE_ACETATE_AUXIN	C([O-])(=O)CC1(\C2(/C=C\C=C/C(/N\C=1)=2))
INDOLE_PYRUVATE	C([O-])(=O)C(=O)CC1(\C2(/C=C\C=C/C(/N\C=1)=2))
INDOLEYL-CPD	C(#N)CC1(\C2(/C=C\C=C/C(/N\C=1)=2))
KDO2-LIPID-IVA-COLD	CCCCCC\C=C/CCCCCCCC(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
SERYL-AMP	C(O)[C@H]([NH3+])C(=O)OP(OC[C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))([O-])=O
CPD-15435	C[C@@H](O)[C@@H](C([O-])=O)NC(=O)OP(OC[C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))([O-])=O
R-1-AMINOPROPAN-2-YL-PHOSPHATE	C[C@H](C[NH3+])OP(=O)([O-])[O-]
1-AMINO-PROPAN-2-OL	C[C@@H](O)C[NH3+]
1-KETO-2-METHYLVALERATE	CC[C@](O)(C)[C@H](C([O-])=O)O
CPD-17492	CC(C)C[C@H](C([O-])=O)O
CPD-11652	CC(C)C[C@@H](O)C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-12253	CC[C@@H](O)C(=O)[O-]
CPD-471	C[C@H](C[NH3+])C([O-])=O
CPD-335	C[C@H](CC([O-])=O)O
4-P-PANTOTHENATE	CC([C@H](C(=O)NCCC(=O)[O-])O)(COP([O-])([O-])=O)C
R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE	CC(C)(COP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)N[C@@H](CS)C(=O)[O-]
CPD-11855	C[C@@](O)(CC(C(=O)[O-])=O)C([O-])=O
CPD-10353	C[C@@H](O)C(=O)C
CPD-18532	C([O-])(=O)[C@@H]([NH3+])[C@@H](O)C(=O)C1(/C=C\C=C/C(/N)=1)
CPD-31	C[C@](O)(C(=O)[O-])CC(=O)[O-]
GLYCERATE	C(=O)([O-])[C@H](O)CO
CPD-22292	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC([C@H](O)CO)=O)COP(=O)(OP(=O)(OC[C@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
D-LACTATE	C[C@H](C([O-])=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])C([O-])=O
CPD-18539	C(=O)NC1(/C=C\C=C/C(/C(=O)[C@H](O)[C@H]([NH3+])C(=O)[O-])=1)
CPD-20799	C1(CC[C@@H](C([O-])=O)C[NH2+]1)
L-PANTOATE	CC(C)(CO)[C@H](C([O-])=O)O
PANTOTHENATE	CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)[O-]
CPD-11625	C1(N[C@@H](C(N)=O)C[NH2+]C1)
CPD-11622	C1([NH2+][C@@H](C([O-])=O)CNC1)
CPD-11632	CC(C)(C)NC(=O)[C@H]1(C[NH2+]CCN1)
CPD-11639	C1(CC[C@@H](C(N)=O)C[NH2+]1)
S-LACTOYL-GLUTATHIONE	C[C@@H](O)C(=O)SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN	C[NH2+]C[C@H](O)C1(\C=C/C(/O)=C\C=1)
BUTANEDIOL	C[C@H]([C@H](O)C)O
S-ALLANTOIN	C(=O)(N)N[C@H]1(NC(=O)NC(=O)1)
L-DELTA1-PYRROLINE_5-CARBOXYLATE	C1(\CC[C@H](\N=1)C(=O)[O-])
DELTA1-PIPERIDEINE-2-6-DICARBOXYLATE	C1(CC(/C([O-])=O)=N\[C@@H](C1)C([O-])=O)
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-]
ALLYSINE	C(=O)CCC[C@H]([NH3+])C(=O)[O-]
CPD0-1942	CC[C@H]([NH3+])C(=O)[O-]
CPD-15409	C[C@H](Cl)C(=O)[O-]
CPD-381	C(=O)([O-])[C@@H](O)CCC(=O)[O-]
CPD-5821	C([C@]1(O)(NC(=O)/N=C1/NC(N)=O))(=O)[O-]
CPD-466	C[C@@H](C[NH3+])C([O-])=O
CPD-19159	CCCCCC\C=C/CCCCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19151	CCCCCC\C=C/C[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-1163	CCCCCCCC\C=C/C[C@H](O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD-19168	CCCCCCCC\C=C/CCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19154	CCCCCC\C=C/CCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19155	CCCCCC\C=C/CCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19171	CCCCCCCC\C=C/CCCCC[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=C/N=C(C(\N=C/2)=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-12175	C[C@H](C([O-])=O)CO
CPD-12173	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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])CO
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD0-2244	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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD0-2107	CCCCCCCCC[C@H](O)CC(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
CPD0-2232	CCCCCCCCCCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
OH-HEXANOYL-COA	CCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD-22313	CCCCC[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)O
CPD0-2171	CCCCCCCCCCC[C@H](O)CC(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
2-KETO-3-METHYL-VALERATE	CC[C@H](C)C(=O)C([O-])=O
GLUTAMATE-1-SEMIALDEHYDE	C([C@H](CCC([O-])=O)[NH3+])=O
CPD-13722	CC[C@H](O)CC(=O)C(=O)[O-]
4-HYDROXY-2-KETOVALERATE	C[C@H](O)CC(=O)C([O-])=O
5-HYDROXYISOURATE	C2([C@]1(O)(NC(=O)NC/1=N/C(=O)N2))(=O)
DI-H-OROTATE	C1(C(=O)NC(=O)N[C@H](C(=O)[O-])1)
L-LACTATE	C[C@@H](C([O-])=O)O
MAL	C(=O)([O-])C[C@H](O)C([O-])=O
CH3-MALONATE-S-ALD	C[C@@H](C=O)C(=O)[O-]
CPD-653	C1(/N([C@@H](O)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=N/C4(C(/N)=N\C=N/C3=4))))[C@@H](O)[C@@H](O)5))
CPD0-2474	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=C/N=C(C(\N=C/2)=3)/N)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))[C@@H](O)CCC(/C(=O)N)=5)
CPD-11624	C1(N[C@H](C(N)=O)C[NH2+]C1)
CPD-11623	C1(N[C@H](C(O)=O)CNC1)
CPD0-2298	[C@H](NC(N)=O)([NH3+])C(=O)[O-]
CPD-1091	[C@@H](O)(C([O-])=O)NC(N)=O
CPD-7545	C(=O)([O-])[C@@H]([NH3+])CSC(/CC1(\C=C/C=C\C=1))=N/O
PHENYLACETOTHIOHYDROXIMATE	C1(\C=C/C(\CC(\[S-])=N\O)=C\C=1)
CPD-20053	C1(\C=C(\C=C/C(\CC(\[S-])=N\O)=1)\O)
BILIVERDINE	C=CC1(\C(\NC(C(/C)=1)=O)=C\C4(\NC(/C=C3(C(/CCC(=O)[O-])=C(C)/C(\C=C2(C(/C)=C(C=C)/C(=O)N2))=N\3))=C(CCC(=O)[O-])/C(\C)=4))
CPD-18353	CCCCCC\C=C/CCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCC\C=C/CCCCCC)COP([O-])(=O)[O-])=O
CPD-85	CSCCC(C(\[O-])=C\O)=O
CPD0-1425	CCCCCCCCCCCCCC(=O)OC[C@@H](OC(CCCCCCCCCCCCC)=O)COP([O-])(=O)[O-]
DIHYDROXYNAPHTHOATE	C([O-])(=O)C1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD0-882	C[C@H](C([O-])=O)O[C@H]2([C@H](O)[C@H]1(CO[C@H](O1)[C@H](NC(C)=O)2))
CPD-17372	C(O)CCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)O
CPD-19115	CCCCCCCC(=O)CC(C1(\C(\N)=C/C=C\C=1))=O
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P	C(OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)C(=O)CNC1(/C=C\C=C/C(/C(=O)[O-])=1)
PHOSPHORIBOSYL-FORMIMINO-AICAR-P	C(OP([O-])(=O)[O-])[C@H]3(O[C@@H](/N=C/NC1(\N(\C=N/C(\C(=O)N)=1)[C@@H]2(O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H](O)2)))[C@@H]([C@@H]3O)O)
PHOSPHORIBOSYL-AMP	C(OP([O-])(=O)[O-])[C@H]4(O[C@@H](N2(C(C3(\N=C/N([C@H]1([C@@H]([C@@H]([C@H](O1)COP([O-])([O-])=O)O)O))C(\N=C/2)=3))=N))[C@@H]([C@@H]4O)O)
PHOSPHORIBOSYL-ATP	C(OP([O-])(=O)[O-])[C@H]4(O[C@@H](N2(C(C3(\N=C/N([C@H]1([C@@H]([C@@H]([C@H](O1)COP([O-])(OP([O-])(OP([O-])([O-])=O)=O)=O)O)O))C(\N=C/2)=3))=N))[C@@H]([C@@H]4O)O)
NICOTINAMIDE_RIBOSE	C(O)[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(\C=C/C=C(/C=2)/C(=O)N))
CPD-8355	CCCCCCCC\C=C/CCCCCCCC(OC[C@@H](O)COP([O-])(=O)OCC[NH3+])=O
CPD-68	C([O-])(=O)C1([NH3+])(CC1)
CPD-22222	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)OC[C@@H](O)COP([O-])([O-])=O
CPD-3744	CCCCS(=O)(=O)[O-]
CPD-14828	C([C@@H](O)COP([O-])(=O)[O-])OC(CCCCCCCCCCCCCCC(=O)[O-])=O
1-CARBOXYVINYL-CARBOXYPHOSPHONATE	C=C(C([O-])=O)OP(=O)(C(=O)[O-])[O-]
1-CHLORO-24-DINITROBENZENE	C1(/C=C(C(/[N+]([O-])=O)=C\C(\[N+]([O-])=O)=1)/Cl)
CPD-18351	CCCCCC\C=C/CCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCC)COP([O-])(=O)[O-])=O
CPD-18348	CCCCCC\C=C/CCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])O
DEOXYXYLULOSE-5P	CC(=O)[C@@H](O)[C@H](O)COP([O-])(=O)[O-]
DIHYDROXY-BUTANONE-P	CC(=O)[C@H](O)COP(=O)([O-])[O-]
CPD-13172	C([O-])(=O)C1(O)(\C=C/CCC(=O)1)
CPD-20035	CN2(C(C3(\N=C/N([C@H]1(C[C@@H]([C@H](O1)COP([O-])([O-])=O)O))C(\N=C/2)=3))=N)
CPD-20036	CN2(C(C3(\N=C/N([C@H]1(C[C@@H]([C@H](O1)COP(OP(OP([O-])(=O)[O-])([O-])=O)([O-])=O)O))C(\N=C/2)=3))=N)
CPD-18380	CCCCCC/C=C/CCCCCCCC(=O)O[C@H](COC(CCCCCCCCCCCCC)=O)COP([O-])(=O)[O-]
CPD-18379	CCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])[O-]
CPD-371	CCCCCCCC=O
OCTANOL	CCCCCCCCO
CPD-2183	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OC[C@H](CO)O
L-1-LYSOPHOSPHATIDATE	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])([O-])=O)O
CPD-18352	CCCCCC/C=C/CCCCCCCCCC(O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O
CPD-18390	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(CCCCCCCCCCCCC)=O
CPD-18350	CCCCCCCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCC/C=C/CCCCCC)COP([O-])(=O)[O-])=O
1-PALMITOYLGLYCEROL-3-PHOSPHATE	CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])[O-]
CPD-7682	C([C@@H]1(CCC\C=N/1))([O-])=O
DELTA1-PIPERIDEINE-2-CARBOXYLATE	C1(/N=C(CCC1)/C(=O)[O-])
CPD-665	CCC=O
CPD-6124	C1(CC\[NH+]=C/1)
DELTA1-PYRROLINE_2-CARBOXYLATE	C1(CCC(/C([O-])=O)=N\1)
CPD-1128	C1(/N=C(CC(O)1)/C([O-])=O)
CPD-17319	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(CCCCCCC\C=C/CCCCCCCC)=O
CPD-17273	CCCCCCCCCCCCCCCCCC(OC[C@@H](OC(=O)CCCCCCCCCCCCCCC)COP([O-])(=O)[O-])=O
CPD0-1423	CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(CCCCCCCCCCCCCCCCC)=O
CPD0-2113	CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])[O-]
CPD-17373	C(O)CCCCCCC\C=C/CCCCCCCC(OC[C@@H](OC(=O)CCCCCCC\C=C/C\C=C/CCCCCO)COP([O-])(=O)[O-])=O
CPDQT-41	CSCCCCCCCCC(=O)C([O-])=O
16-HYDROXYPALMITATE	C(CCCCCCCCCCCCCCC([O-])=O)O
CPD-17621	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17371	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/C\C=C/CCCCCO)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
18-HYDROXYOLEATE	C(O)CCCCCCC\C=C/CCCCCCCC(=O)[O-]
CPD-17370	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCCO)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17640	C(O)CCCCCCCCCCCCCCCCC([O-])=O
CPD-17641	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCCCCO)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[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)
CPD-6746	[C@@H]1(O)([C@@H](O)[C@H](O)[C@H](OP([O-])([O-])=O)[C@H](O)[C@@H](O)1)
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)
D-MYO-INOSITOL-4-PHOSPHATE	[C@@H]1(O)([C@H](O)[C@@H](O)[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)1)
CPD-6701	[C@@H]1(O)([C@@H](O)[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](O)[C@@H](O)1)
CPD-6702	[C@H]1(O)([C@@H](O)[C@H](O)[C@@H](OP([O-])(=O)[O-])[C@H](O)[C@H](O)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=C/N=C(C(\N=C/3)=4)/N))))O))=O
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=N/C4(C(/N)=N\C=N/C3=4))))[C@@H](O)C(=O)NCCC(=O)NCCS
DEOXYADENOSINE	C(O)[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(\C/2=N/C=N\C(/N)=3)))
DEOXYCYTIDINE	C1(\C(\N)=N/C(=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=N/C3(C(=O)NC(/N)=N/C2=3)))
DEOXYINOSINE	C(O)[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(\C/2=N/C=N\C(\O)=3)))
DEOXYURIDINE	C1(\C(=O)NC(=O)N(\C=1)[C@H]2(C[C@H](O)[C@@H](CO)O2))
CPD-12796	CCN1(C(\SC2(/C=C(\C=C/C\1=2)/S(=O)(=O)[O-]))=N\N=C3(N(CC)C4(/C=C\C(\S(=O)(=O)[O-])=C/C(/S3)=4)))
CPD-13347	CC[NH+]1(C(/SC2(/C=C(\C=C/C\1=2)/S(=O)(=O)[O-]))=N\N=C3(N(CC)C4(/C=C\C(\S(=O)(=O)[O-])=C/C(/S3)=4)))
CPD-8819	C2(\C=C(C1(\C=C/C=C\N=1))/N=C\C=2)
CPD-13992	C1(\C=C(C(/S([O-])(=O)=O)=C\C=1)\N=N\C2(/C=C\C=C/C(/S([O-])(=O)=O)=2))
CPD-9674	C(C([O-])=O)(Cl)Cl
TETRACHLOROHYDROQUINONE	C1(C(\[O-])=C(C(\Cl)=C(C(\Cl)=1)\[O-])\Cl)Cl
CPD-19763	C(SC1(/C(/O)=C(C(\Cl)=C(C(\Cl)=1)\O)/Cl))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
236-TRICHLOROHYDROQUINONE	C1(/C(/Cl)=C(C(\Cl)=C(C(/O)=1)\Cl)/[O-])
2-3-DIHYDROXYBENZOATE	C(C1(\C(\O)=C(\C=C/C=1)\O))([O-])=O
23-DIPHOSPHOGLYCERATE	C(OP([O-])(=O)[O-])[C@@H](OP(=O)([O-])[O-])C(=O)[O-]
CPD-9138	CC1(/C(/[N+](=O)[O-])=C\C(\[N+](=O)[O-])=C/C(/[N+]([O-])=O)=1)
CPD-10753	C[C@H]1([C@@H]([C@@H]([C@H]([C@@H](O)O1)NC(=O)C)O)NC(=O)C)
24-DICHLORO-25-DIHYDRO-5-OXOFURAN-2-AC	C(=O)([O-])CC1(Cl)(OC(=O)C(/Cl)=C\1)
CPD-10632	C([O-])(=O)/C=C(/C=C(C([O-])=O)/Cl)/Cl
S-24-DINITROPHENYLGLUTATHIONE	C(SC1(/C=C\C(\[N+]([O-])=O)=C/C(/[N+]([O-])=O)=1))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-9132	CC1(/C=C\C(\[N+]([O-])=O)=C/C(/[N+](=O)[O-])=1)
CPD-10809	C(NC1(/N=C(N)\NC(=O)C(/N)=1))[C@H](O)[C@H](O)[C@H](O)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-]
CPD-19732	C(=O)([O-])C(Cl)CC(=O)C(Cl)C(=O)[O-]
CPD-10636	C1(/C(/OC(=O)C(/Cl)=1)=C(C(=O)[O-])\Cl)
CPD-10637	C(=O)([O-])C(/Cl)=C\C(=O)C(Cl)C(=O)[O-]
25-DIDEHYDRO-D-GLUCONATE	C(C([C@H]([C@@H](C(C([O-])=O)=O)O)O)=O)O
2-5-DIHYDROXYPYRIDINE	C1(\C(\O)=C/C=C(\N=1)/O)
CPD-654	C(=O)CCC(C([O-])=O)=O
CPD-16609	CC1(\C=C/C(\C)=C(\C=1)/O)
CPD-16491	CN(C=O)C1(\C(\O)=N/C(\N)=N\C(/N)=1)
CPD-19761	C(SC1(/C(/O)=C\C(\Cl)=C(C(\Cl)=1)\O))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
26-DICHLORO-P-HYDROQUINONE	C1(/C(/O)=C\C(\Cl)=C(C(/Cl)=1)\[O-])
CPD-12797	COC1(/C=C\C=C(C(\O)=1)\OC)
CPD-9133	CC1(/C(/[N+](=O)[O-])=C\C=C/C(/[N+]([O-])=O)=1)
CPD0-2362	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC12(OC1\C=C/C=C\2))COP(=O)(OP(=O)(OC[C@@H]3([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O3)N4(C5(\N=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-13576	CC1(\N=C(C(=O)[O-])/SC(/CCOP([O-])(=O)[O-])=1)
CPD-142	C(C(C1(\C=C/C(/O)=C\C=1))=O)(=O)[O-]
2-ALPHA-HYDROXYETHYL-THPP	CC2(\[N+](/CC1(\C(\N)=N/C(\C)=N\C=1))=C(C(O)C)/SC(/CCOP([O-])(=O)OP([O-])(=O)[O-])=2)
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE	C(NC=O)C(N[C@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1))=[NH2+]
CPD-21210	C(SC(C([O-])=O)CC1(\C=C/C(/[N+]([O-])=O)=C\C=1))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-19760	C(SC1(\C(\O)=C/C=C(/C=1)/O))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
GLUCOSAMINATE	C([O-])(=O)[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H](O)CO
CPD-15586	C([O-])(=O)[C@H]([NH3+])[C@@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-]
2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI	C(=O)([O-])C(\C=C\C=O)=C(C([O-])=O)/N
CPD-12136	C([O-])(=O)C(CC([NH3+])C(=O)[O-])C1(\C(=O)\C=C/C(CC([NH3+])C([O-])=O)\C=1)
CPD-12135	C([O-])(=O)C(CC([NH3+])C(=O)[O-])C1(\C(\O)=C/C=C(CC([NH3+])C([O-])=O)\C=1)
CPD-16953	C[C@H]1(C(/[C@@H](C)O)=N\C2(/C(=O)NC(/N)=N/C(\N1)=2))
CPD-1772	C([NH3+])C=O
2-AMINOACRYLATE	C=C([NH3+])C(=O)[O-]
CPD-21209	C([O-])(=O)C(Br)CC1(\C=C/C(/[N+]([O-])=O)=C\C=1)
2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE	C[C@](O)(CO)[C@H](O)COP([O-])([O-])=O
2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE	C[C@@]1(CO)(OP(=O)([O-])OP(=O)([O-])OC[C@@H](O)1)
CARBOXYMETHYL-HYDROXYPHENYLPROPCOA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)[C@H](O)C1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CIS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-EN-	C1(/C(/OC(=O)C(/Cl)=1)=C/C(=O)[O-])
TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E	C1(/C(/OC(=O)C(/Cl)=1)=C\C(=O)[O-])
CHLOROACETIC-ACID	C(C([O-])=O)Cl
2-CHLOROMALEYLACETATE	C([O-])(=O)C(/Cl)=C\C(=O)CC(=O)[O-]
2-DH-3-DO-D-ARABINONATE	C(O)[C@@H](O)CC(=O)C(=O)[O-]
2-DEHYDRO-3-DEOXY-D-GLUCONATE	C(=O)([O-])C(=O)C[C@H](O)[C@H](O)CO
2-KETO-3-DEOXY-6-P-GLUCONATE	C(=O)([O-])C(=O)C[C@H](O)[C@H](O)COP([O-])(=O)[O-]
CPD-1134	C(O)[C@H](O)CC(=O)C(=O)[O-]
DEHYDFUC-CPD	C[C@H](O)[C@@H](O)CC(=O)C(=O)[O-]
CPD-339	C(OP([O-])(=O)[O-])[C@H]([C@H]([C@@H](C(C([O-])=O)=O)O)O)O
2-DEHYDROPANTOATE	CC(C(=O)C([O-])=O)(CO)C
CPD-22290	C(C(=O)[O-])C([C@H](O)CO)=O
DEOXY-D-RIBOSE-1-PHOSPHATE	C(O)[C@H]1(O[C@H](OP([O-])(=O)[O-])C[C@H](O)1)
CPD-22231	C1([C@H](O)OC[C@@H](O)[C@@H](O)1)
CPD-19841	C(O)[C@H]1(OC(C[C@H]([C@@H]1O)O)=O)
CPD-16715	C(C(=O)[O-])[C@@H]([C@H](O)CO)O
CPD-22288	C1(C(=O)OC[C@@H](O)[C@@H](O)1)
CPD-19749	C(O)C1(/C=C\C=C/C(/C([O-])=O)=1)
CPD-1131	C(=O)C1(/C=C\C=C/C(/C([O-])=O)=1)
CPD-12838	CCCCCCCC1(/NC2(/C=C\C=C/C(/C(=O)C(/O)=1)=2))
CPD-12836	CCCCCCCC1(\NC2(/C=C\C=C/C(/C(=O)\C=1)=2))
2-HYDROXY-2-METHYLPROPANENITRILE	CC(O)(C)C#N
CPD-19014	CC(O)(C)C(=O)[O-]
CPD-2542	C(=O)([O-])C1(\C=C(C([O-])=O)/OC(O)/C=1)
4-OH-4-ACETYL-2-OXOGLUTARATE	C(C(CC(O)(CC(=O)[O-])C(=O)[O-])=O)(=O)[O-]
2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP	CSCCC(C(\[O-])=C\OP([O-])(=O)[O-])=O
CPD-783	C(=O)C(/CC([O-])=O)=C/C=C(C([O-])=O)/O
CPD-613	C([O-])(=O)C(\O)=C\C=C\C(C1(\C=C/C=C\C=1))=O
CPDN-384	C(=O)([O-])C1(O)(\C=C/C2(/C(/O1)=C\C=C/C=2))
CPD-19042	CC(O)(C)C(=O)N
CPD-12279	C(=O)([O-])C=N
CPD-16013	CCC(C(=O)[O-])=N
CPD-16015	CC(C(=O)[O-])=[NH2+]
IMINOASPARTATE	C(=O)([O-])CC(C(=O)[O-])=N
CPD-22344	CC(C1(\N=C(\C=C(C)/N=1)\O))C
CPD-9451	CC(C(\C(=O)[O-])=C\C(=O)[O-])C
CPD-377	C(C([C@H]([C@@H]([C@@H](CO)O)O)O)=O)([O-])=O
CPD-294	C(\C(=O)CC([O-])=O)=C\C(=O)[O-]
CPD-9857	CC(C)=CCCC(\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)\OC)
CPD-9866	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=1)\OC)
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=C/C=1)\OC)
CPD-9870	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=1)/O)\OC)
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)
CPD-21110	CC(C(S)C)CO
2-METHYL-ACETO-ACETYL-COA	CC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)C(=O)C
CPD-18323	CC2(\N=C1(C(/N=C\N1)=C(N)\N=2))
CPD-20851	CC3(\N=C2(C(/N([C@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1))\C=N/2)=C(N)\N=3))
METHYLBUT-CPD	CCC(C)C=O
CPD-7033	CCC(CO)C
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-9863	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=1)
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=C\C=1)
CPD0-2363	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C1(C\C=C/C=C\O1))COP(=O)(OP(=O)(OC[C@@H]2([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O2)N3(C4(\N=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
2K-ADIPATE	C(CC(=O)C(=O)[O-])CC(=O)[O-]
2-OXOBUTANOATE	CCC(=O)C(=O)[O-]
2-KETO-GLUTARAMATE	C(CC(N)=O)C(=O)C(=O)[O-]
2-KETOGLUTARATE	C(CC([O-])=O)C(=O)C([O-])=O
CPD-3618	CCCC(=O)C(=O)[O-]
CPD-20685	CC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
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=C/1)/N)=O))O2)O))([O-])=O
2-PG	C(=O)([O-])[C@H](OP(=O)([O-])[O-])CO
CPD-67	C(OP([O-])(=O)[O-])C([O-])=O
2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA	C(C2(/C(/OC(C1(\C=C/C(/O)=C(/C=1)/O))=O)=C\C(\O)=C/C(/O)=2))([O-])=O
CPD-184	C1(OC(/C([O-])=O)=C/C(/C([O-])=O)=C\1)(=O)
CPD-15663	CCCCCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-13575	CC1(\C(\S[C@H](C(=O)[O-])\N=1)=C\COP([O-])(=O)[O-])
CPD-14763	CC(O[C@@H]1([C@H](OC([C@H](O)1)O)COP(=O)([O-])OP([O-])(=O)OC[C@H]2(O[C@H]([C@H](O)[C@@H]2O)N3(C4(\N=C/N=C(C(\N=C/3)=4)/N)))))=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=N/C3(C(/N)=N\C=N/C2=3))))[C@@H](O)C(=O)NCCC(=O)NCCS
PAPS	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)OP(=O)([O-])[O-]))OP(OS([O-])(=O)=O)([O-])=O
CPD-13699	C[C@H](C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])[C@H]6(CC[C@H]7([C@@H]5(CCC4(\[C@@](CCC(=O)\C=4)(C)[C@H]5CC[C@](C)67))))
CPD-19233	COC1(\C(=O)C(/OC)=C\C(/C=1)=C2(/C=C(C(=O)C(/OC)=C\2)/OC))
CPD-13709	CC3(\C(/CC[C@H]2([C@H]1([C@@](C)(C(=O)CC1)CCC(=O)2)))=C(C(/O)=C\C=3)\O)
CPD-7616	C(C1(\C=C(C(/O)=C\C=1)\O))=O
34-DIHYDROXYPHENYLACETALDEHYDE	C1(\C(/CC=O)=C/C(/O)=C(\C=1)/O)
34-DIHYDROXYPHENYLACETYL-COA	CC(C)([C@@H](O)C(=O)NCCC(NCCSC(CC1(\C=C(C(/O)=C\C=1)\O))=O)=O)COP(=O)(OP(=O)(OC[C@H]2(O[C@H]([C@@H]([C@@H]2OP([O-])(=O)[O-])O)N3(\C=N/C4(C(/N)=N\C=N/C3=4))))[O-])[O-]
CPD-11878	C(O)[C@H](O)C1(\C=C/C(/O)=C(/C=1)/O)
DIHYDROXYPHENYLGLYCOLALDEHYDE	C(=O)[C@H](O)C1(\C=C/C(/O)=C(/C=1)/O)
CPD-16801	C1(/C(/Cl)=C(/N=C(C(/Cl)=1)/O)/Cl)
CPD-290	C([O-])(=O)[C@@]1(O)(\C=C/C=C\[C@H](O)1)
35-DICHLOROCATECHOL	C1(/C(/Cl)=C\C(\O)=C(C(/Cl)=1)\O)
CPD-22636	C(N)(=O)C1(\C=C(/C=C(/C=1)/[N+](=O)[O-])\[N+](=O)[O-])
CPD-22635	CC1(\C=C(/C=C(\C=1)/[N+](=O)[O-])\[N+](=O)[O-])
CPD-16608	CC1(\C=C(\C=C(C)/C=1)\O)
CPD-21376	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(\C=C(C(/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
3-HYDROXYPHENYL-PROPIONATE	C(CCC1(\C=C(\C=C/C=1)\O))(=O)[O-]
CPD-10600	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(\C=C/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
P-HYDROXY-PHENYLPYRUVATE	C1(\C(/CC(C([O-])=O)=O)=C/C=C(\C=1)/O)
CPD-76	CC(C)=CCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-9867	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/CC1(\C(\O)=C(\C=C/C=1)\O)
CPD-9854	CC(C)=CCCC(\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)
CPD-9868	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=1)\O)
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=C/C=1)\O)
3-UREIDO-ISOBUTYRATE	C[C@H](CNC(N)=O)C(=O)[O-]
CPD-21241	CCCC(SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)CCO
CPD-18277	CC1(\C=C(/C=C(\C=1)/O)\CO)
3-HYDROHYDROXYPHOSPHORYLPYRUVATE	C([O-])(=O)C(=O)CP([O-])=O
IMIDAZOLE-ACETOL-P	C1(\N\C=N/C(\CC(COP([O-])(=O)[O-])=O)=1)
CPD-7036	CSCCC=O
CPD-16549	C(C=O)CN1(CCOCC1)
CPD0-1958	C1(N(CCCS(=O)([O-])=O)CCOC1)
CPD-14876	CC(=O)NC1(\C(\[O-])=C/C=C(/C=1)/C=O)
CPD-14877	CC(=O)NC1(\C(\O)=C/C=C(/C=1)/C([O-])=O)
CPD-321	C(CC([O-])=O)=[N+]([O-])O
1-AMINO-PROPAN-2-ONE-3-PHOSPHATE	C(C(=O)C[NH3+])OP(=O)([O-])[O-]
CPD-7367	C(=O)C1(\C=C(C(/O)=C\C=1)\N)
CPD-14873	C(=O)([O-])C1(\C=C(C(/O)=C\C=1)\N)
CPD-17046	C(S[C@@]2(CC1(\C=C/C=C\C=1))(NC(=O)[C@](SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)(CO)NC(=O)2))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-17045	C(O)[C@]2(O)(NC(=O)[C@](O)(CC1(\C=C/C=C\C=1))NC(=O)2)
CPD-19487	CSCCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
CPD-19491	C(C(CCCSC)C(=O)C(=O)[O-])(=O)[O-]
CPD-19490	CSCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
CPD-19489	CSCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
CPD-19488	CSCCCCCCC(C(=O)C(=O)[O-])C(=O)[O-]
CPD-245	C(=O)(\C=C/C(/C([O-])=O)=C\C(=O)[O-])[O-]
CPD-10660	C(=O)C1(\C=C/C=C(/C=1)/Cl)
CPD-10659	C(O)C1(\C=C/C=C(/C=1)/Cl)
3-DE-H-CARNITINE	C(C(=O)CC(=O)[O-])[N+](C)(C)C
DEHYDROQUINATE	C(=O)([O-])[C@]1(O)(CC(=O)[C@@H](O)[C@H](O)C1)
3-DEHYDRO-SHIKIMATE	C([O-])(=O)C1(\C[C@@H](O)[C@H](O)C(=O)/C=1)
CPD-9873	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/CC1(/C(\C)=C(C(\O)=C(C(/O)=1)\OC)/O)
2-HEXAPRENYL-3-METHYL-5-HYDROXY-6-METHOX	CC(C)=CCCC(\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)
CPD-9861	CC(C)=CCCC(\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)
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)
CPD-7158	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(\O)=C(C(/C)=1)\O)\OC)
KDO	C(O)[C@@H](O)[C@H]1(O[C@@](O)(C([O-])=O)C[C@H]([C@H]1O)O)
CPD-21261	C(O)[C@@H](O)[C@H]1(O[C@](O)(C([O-])=O)C[C@H]([C@H]1O)O)
CPD-22307	C(OP([O-])(=O)[O-])[C@@H]1([C@@H](O)[C@H](O)C[C@@](C(=O)[O-])(O)O1)
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-]
CPD-21260	C(O)[C@@H](O)[C@H]([C@@H]1(O[C@](C([O-])=O)(O)C[C@@H]([C@H]1O)O))O
CPD-21259	C(O)[C@@H](O)[C@H]([C@@H]1(O[C@@](C([O-])=O)(O)C[C@@H]([C@H]1O)O))O
KDO-8P	C(OP([O-])(=O)[O-])[C@@H](O)[C@H]1(O[C@@](O)(C([O-])=O)C[C@H]([C@H]1O)O)
CPD-19492	CCC(C([O-])=O)C(C(=O)[O-])=O
CPD-1130	CCC(C([O-])=O)C(C(=O)[O-])O
CPD-594	C(CC([O-])=O)NC(N)=[NH2+]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-18274	CC1(/C=C\C(\C([O-])=O)=C/C(/O)=1)
CPD-18278	CC1(/C=C\C(\C=O)=C/C(/O)=1)
CPD-18275	CC1(\C=C(/C=C(\C=1)/C([O-])=O)\O)
CPD-18279	CC1(\C=C(/C=C(\C=1)/O)\C=O)
CPD-13708	CC3(\C=C/C(/O)=C\C(/CC[C@H]2([C@H]1([C@@](C)(C(=O)CC1)CCC(=O)2)))=3)
3-HYDROXY-L-KYNURENINE	C([O-])(=O)[C@@H]([NH3+])CC(=O)C1(/C=C\C=C(C(\N)=1)\O)
3-HYDROXY-ANTHRANILATE	C1(\C=C(C(\N)=C(\C=1)\O)\C([O-])=O)
3-OH-BENZALDEHYDE	C(C1(\C=C/C=C(/C=1)/O))=O
3-OH-BENZYL-ALCOHOL	C(O)C1(\C=C(\C=C/C=1)\O)
3-HYDROXY-ISOVALERYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-1070	C([O-])(=O)\C=C/C(CC(=O)C([O-])=O)=O
3-MERCAPTO-PYRUVATE	C(C(C(=O)[O-])=O)S
CPD-11497	COC1(/C=C(\C=C/C(/O)=1)/[C@@H](O)CO)
CPD-11876	COC1(/C=C(\C=C/C(/O)=1)/[C@@H](O)C=O)
2-KETO-ISOVALERATE	CC(C(C([O-])=O)=O)C
CPD-21114	CC(C)(S)CCO
CPD-21078	CCCC(C)(S)CCO
CPD-22349	CC1(\C(\SC)=C/C=C(\C=1)/O)
CPD-15153	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(/OC)=C\C(=O)C(/C)=1)
3-Methyl-Adenines	CN2(C1(\C(\N=C/N=1)=C(N)/N=C\2))
CPD-8774	CC1(\C=C/C=C(\C=1)/C=O)
3-METHYLBENZYL-ALCOHOL	CC1(\C=C(\C=C/C=1)\CO)
CPD-7031	CC(C)CC=O
CPD-7032	CC(CCO)C
3-METHYL-CROTONYL-COA	CC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-11245	CC1(\C(\O)=C(/C=C(\C=1)/O)\C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-10824	CC1(\[C@H](CC([O-])=O)OC(=O)\C=1)
CPD-19230	C(C1(\C=C/C=C(/C=1)/[N+]([O-])=O))(=O)[O-]
3-NITROTOLUENE	CC1(\C=C/C=C(\C=1)/[N+]([O-])=O)
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=C/C(/O)=1)/C(=O)[O-])
CPD-721	COC1(/C=C(/C=C(C(\O)=1)/O)/C([O-])=O)
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=C/C(/O)=1)/C(=O)[O-])
CPD-19160	CCCCCC\C=C/CCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19153	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15244	CCCCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19167	CCCCCCCC\C=C/CCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19157	CCCCCC\C=C/CCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19158	CCCCCC\C=C/CCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-19169	CCCCCCCC\C=C/CCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-11528	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])
CPD-11524	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11520	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11527	CC\C=C/C[C@H]1([C@H](CCC(=O)1)C[C@H](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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])
CPD-11523	CC\C=C/C[C@H]1([C@H](CCC(=O)1)CCC[C@H](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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11519	CC\C=C/C[C@H]1([C@H](CCC(=O)1)CCCCC[C@H](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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11526	CC\C=C/C[C@H]1([C@H](CCC(=O)1)C/C=C/C(=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])
CPD-11522	CC\C=C/C[C@H]1([C@H](CCC(=O)1)CCC/C=C/C(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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11518	CC\C=C/C[C@H]1([C@H](CCC(=O)1)CCCCC/C=C/C(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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-11525	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])
CPD-11521	CC\C=C/C[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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-])=O)
CPD-13700	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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])[C@H]6(CC[C@H]7([C@@H]5(CCC4(\[C@@](CCC(=O)\C=4)(C)[C@H]5CC[C@](C)67))))
CPD0-2364	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(C\C=C/CC([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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPDMETA-13650	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(C\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
2-AMINOMALONATE-SEMIALDEHYDE	C(=O)[C@H]([NH3+])C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-2123	CCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-2105	CCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O)=O
CPD-10284	CCCCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-2106	CCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-13534	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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
MALONATE-S-ALD	C(=O)CC([O-])=O
CPD-20689	C/C=C/CC(=O)[O-]
CPD-20684	C/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PHENYL-PYRUVATE	C([O-])(=O)C(=O)CC1(\C=C/C=C\C=1)
3-PHENYLPROPIONATE	C(CCC1(\C=C/C=C\C=1))([O-])=O
CPD-14673	C(#N)CCC1(\C=C/C=C\C=1)
G3P	C(OP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]
DPG	C([C@@H](O)C(OP(=O)([O-])[O-])=O)OP(=O)([O-])[O-]
3-P-HYDROXYPYRUVATE	C(OP([O-])(=O)[O-])C(=O)C(=O)[O-]
CPD-7387	C1(C[NH2+]CC(O)1)
CPD-21109	CCCC(S)CCO
CPD-21111	CCC(S)CCO
3-SULFINOALANINE	C([C@H]([NH3+])C(=O)[O-])S([O-])=O
CPD-10419	C(\C=C/C(/S(=O)(=O)[O-])=C\C(=O)[O-])([O-])=O
CPD-380	C(=O)([O-])C(=O)CS(=O)(=O)[O-]
3-UREIDO-PROPIONATE	C(NC(=O)N)CC([O-])=O
CPDQT-36	C(C(CCCSC)C(O)C(=O)[O-])(=O)[O-]
CPD-13757	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-13758	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(=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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-13711	C[C@]12(CCC(=O)[C@@H](CCC(=O)[O-])[C@H](CCC(=O)1)2)
CPD-13754	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[C@@H]1(C(=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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPDQT-37	CSCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPD-13993	C2(Cl)(\N=C(NC1(\C=C(\C=C/C=1)\S([O-])(=O)=O))/N=C(N)\N=2)
CPDQT-38	CSCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-39	CSCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPDQT-40	CSCCCCCCCC(C(O)C(=O)[O-])C(=O)[O-]
CPD-12199	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)C1(\C=C/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-13352	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](O)CCCCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCCCCCC)OP([O-])(=O)O[C@H]5(OC[C@H]([NH3+])[C@H](O)[C@@H](O)5)))
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)[NH3+])O)O))=O)NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
PANTETHEINE-P	CC([C@@H](O)C(=O)NCCC(NCCS)=O)(C)COP([O-])(=O)[O-]
PHOSPHOPANTOTHEINE-GROUP	CC([C@@H](O)C(=O)NCCC(NCCS)=O)(C)COP([O-])(=O)[O-]
CPD-253	C(=O)\C=C(C[C@H]([NH3+])C(=O)[O-])/C=C(C([O-])=O)/O
CPD-16179	C(CC1(\C=C/C(/O)=C\C=1))=[NH2+]
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=C/1)/N)=O))O2)O))([O-])=O
GAMMA-GLUTAMYL-GAMMA-AMINOBUTYRALDEH	C(=O)CCCNC(=O)CC[C@H]([NH3+])C(=O)[O-]
CPD-9000	C(=O)(NCCCC([O-])=O)CC[C@H]([NH3+])C(=O)[O-]
CPD-21192	C(SC2(\C=C(\N=C(C1(\C=C/C=C\C=1))/N=2)\Cl))[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-479	CSCCC(C([O-])=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-30	CC(NCCCC=O)=O
CPD-35	CC(=O)NCCCC(=O)[O-]
CPD-22670	CC(=O)OC1(\C=C/C(/O)=C\C=1)
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP	CC1(\N=C(C(/COP([O-])(=O)OP([O-])(=O)[O-])=C\N=1)\N)
AMINO-HYDROXYMETHYL-METHYL-PYR-P	CC1(\N=C/C(/COP(=O)([O-])[O-])=C(N)\N=1)
CPD0-1189	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](O)[C@@H]([NH3+])CO1)O)
4-AMINO-4-DEOXYCHORISMATE	C=C(C(=O)[O-])O[C@H]1([C@H]([NH3+])\C=C/C(/C([O-])=O)=C\1)
P-AMINO-BENZOATE	C(=O)([O-])C1(\C=C/C(/N)=C\C=1)
4-AMINO-BUTYRALDEHYDE	C(C[NH3+])CC=O
4-AMINO-BUTYRATE	C(C[NH3+])CC([O-])=O
CPD-259	C1(\C(\N)=C/C=C(\C=1)/O)
CPD-13530	COC(\C=C(\C=C(C(=O)[O-])/O)/C([O-])=O)=O
CPD-87	C(/C=O)=C(/C=C(C(=O)[O-])/O)\C(=O)[O-]
CPD-15668	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
COUMARATE	C(=O)([O-])/C=C/C1(\C=C/C(/O)=C\C=1)
CPD0-888	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](O)[C@@H](NC=O)CO1)O)
CPD-17709	C(C1(\O[C@H]([C@H]([C@H](\C=1)O)O)O[C@@H]2([C@@H](O[C@H]([C@H]([C@H]2O)O)O)C([O-])=O)))([O-])=O
CPD-17708	C(C1(\O[C@H]([C@H]([C@H](\C=1)O)O)O[C@@H]2([C@H](O[C@H]([C@H]([C@H]2O)O)O)C([O-])=O)))([O-])=O
CPD-17705	C(C1(\OC([C@H]([C@H](\C=1)O)O)O))([O-])=O
4-FUMARYL-ACETOACETATE	C([O-])(=O)/C=C/C(=O)CC(=O)CC([O-])=O
CPD-592	C([O-])(=O)CCCNC(N)=[NH2+]
CPD-825	C(CCC=O)NC(N)=[NH2+]
4-GUANIDO-BUTYRAMIDE	C(NC(N)=[NH2+])CCC(=O)N
CPD-10806	CCCCCC(O)/C=C/C=O
CPD-11881	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C1(\C=C(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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-10598	CC(=O)C1(\C=C/C(/O)=C\C=1)
4-HYDROXYBENZALDEHYDE	C(C1(\C=C/C(/O)=C\C=1))=O
4-hydroxybenzoate	C(C1(\C=C/C(/O)=C\C=1))(=O)[O-]
CPD-201	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C1(\C=C/C(/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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
4-HYDROXY-BUTYRATE	C(CCC([O-])=O)O
CPD-10457	CC1(/C(/[N+](=O)[O-])=C\C(\NO)=C/C(/[N+]([O-])=O)=1)
CPD-20688	CC(O)CCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
4-IMIDAZOLONE-5-PROPIONATE	C(CCC1(C(=O)\N=C/N1))([O-])=O
4-MALEYL-ACETOACETATE	C([O-])(=O)\C=C/C(=O)CC(=O)CC([O-])=O
2K-4CH3-PENTANOATE	CC(C)CC(C([O-])=O)=O
CPD-10826	CC(C(=O)CC(=O)[O-])CC(=O)[O-]
CPD-10825	CC1(\CC(=O)OC(/CC([O-])=O)=1)
CPD-10832	CC(C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])CC([O-])=O
CPD-21115	CC(O)CC(C)(S)C
CPD-21116	CC(=O)CC(C)(S)C
THZ-P	CC1(\N=C/SC(/CCOP([O-])(=O)[O-])=1)
CPD-8773	CC1(\C=C/C(/C=O)=C\C=1)
4-METHYLBENZYL-ALCOHOL	CC1(\C=C/C(/CO)=C\C=1)
CPD-18272	CC1(\C(\O)=C/C(/C(=O)[O-])=C(\C=1)/O)
CPD-18023	CC(C)/C=C/C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17493	CC(C)CCC([O-])=O
CPD-17494	CC(C)CCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-108	CC1(\C=C/C(/O)=C\C=1)
CPD-18105	CC2(\C=C/C(/O[C@@H]1([C@H](O)[C@H](O)[C@@H](COP(=O)([O-])[O-])O1))=C\C=2)
CPD-20828	CC%13(\C=C/C(/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@@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C4(\C(/C)=C7([C@@](CC(=O)N)([C@H](CCC(N)=O)C8(\C=C5(C(C)(C)[C@H](CCC(N)=O)C6(\C(/C)=C1/N2[Co-2]([N+]\3=4)([N+]\5=6)([N+]7=8)C[C@@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(\C=N/C%11(\C/%10=N/C=N\C(/N)=%11)))O)))))C)))))(C))[C@@H](O)%12))=C\C=%13)
CPD-182	CC1(\C2(/C=C\C(\O)=C/C(/OC(\C=1)=O)=2))
CPD-11641	CC2(\C3(/C=C\C(\O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))=C/C(/OC(=O)\C=2)=3))
4-NITROANILINE	C1(/C=C(\C=C/C(/[NH3+])=1)/[N+]([O-])=O)
CPD-703	C(=O)C1(\C=C/C(/[N+]([O-])=O)=C\C=1)
CPD-702	C(O)C1(\C=C/C(/[N+]([O-])=O)=C\C=1)
CPD-158	C1(\C(\[N+]([O-])=O)=C/C(/O)=C(\C=1)/O)
CPD-21754	C1(/C=C(C(/OS(=O)(=O)[O-])=C\C(\[N+]([O-])=O)=1)/O)
P-NITROPHENOL	C1(/C=C(\C=C/C(/[N+](=O)[O-])=1)/[O-])
CPD0-2413	CCCC(=O)OC1(\C=C/C(/[N+]([O-])=O)=C\C=1)
CPD-21488	CCCCCCCCCCCCCCCC(=O)OC1(\C=C/C(/[N+](=O)[O-])=C\C=1)
CPD-10453	CC1(/C(/[N+](=O)[O-])=C\C(\N=O)=C/C(/[N+]([O-])=O)=1)
CPD-16942	CC(=O)CCC(=O)[O-]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-22510	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-22514	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
ERYTHRONATE-4P	C(OP(=O)([O-])[O-])[C@H]([C@H](C([O-])=O)O)O
4-PHOSPHONOOXY-THREONINE	C(=O)([O-])[C@@H]([NH3+])[C@H](O)COP([O-])(=O)[O-]
CPD-10418	C1(\C(\S(=O)(=O)[O-])=C/C(/O)=C(\C=1)/O)
CPD-10420	C([O-])(=O)CC1(S(=O)(=O)[O-])(\C=C/C(=O)O1)
CPD-15678	CCCCCC/C=C/C(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-15677	CCCCCC/C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD3O-4151	C1(\C(/CCO)=C/C=C(\C=1)/O)
CPD-16177	C\[NH+]=C/CC1(\C=C/C(/O)=C\C=1)
CPD-16176	C[NH2+]/C=C/C1(\C=C/C(/O)=C\C=1)
CPD-16178	C(\N)=C\C1(\C=C/C(/O)=C\C=1)
CH33ADO	C[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(/N)=N\C=N/C2=3)))
L-DI-GMP	C([C@H]3(O[C@@H](N1(\C=N/C2(C(=O)NC(/N)=N/C1=2)))[C@H](O)[C@H](O)3))OP(O[C@H]6([C@@H](O)[C@H](N4(\C=N/C5(C(=O)NC(/N)=N/C4=5)))O[C@H](COP(=O)([O-])[O-])6))(=O)[O-]
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C(\C(=O)NC(C([O-])=O)CC(=O)[O-])=C(N)\2))
CPD-19109	C1(\C=C/C2(/NC3(/C=C\C=C/C(/NC(/C=1)=2)=3)))
CPD-12988	C([O-])(=O)C1(\C2(\NC3(/C=C\C=C(C(\NC(/C=C\C=1)=2)=3)\C(=O)[O-])))
CPD-12874	C(=O)([O-])C1(\C2(\NC3(/C=C\C=C/C(/NC(/C=C\C=1)=2)=3)))
METHYLENETETRAHYDROMETHANOPTERIN	C[C@H]4([C@@H]3([C@@H](C)N(C2(\C=C/C(\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)=N/C(\N4)=5)))
THF	C(NC1(\C=C/C(/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))
DIHYDRO-THYMINE	CC1(C(NC(=O)NC1)=O)
DI-H-URACIL	C1(NC(CCN1)=O)=O
DIMETHYLBENZIMIDAZOLE	CC1(\C(/C)=C/C2(/N\C=N/C(\C=1)=2))
CPD-18276	CC1(/C=C\C(\CO)=C/C(/O)=1)
CPD-8999	CSCCC(=O)C(=O)COP([O-])(=O)[O-]
CPD-1063	CSC[C@@H](O)[C@@H](O)C(=O)COP([O-])(=O)[O-]
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE	C(OP([O-])(=O)[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=[NH+]/C=C(N)\2))
AICAR	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C(\C(=O)N)=C(N)\2))
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C(\C(=O)[O-])=C(N)\2))
CPD-3762	C1(\N=C(C(\N=1)C(N)=O)\N)
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-602	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)NC2(NC(=O)NC(=O)C(N)=2))
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
5-AMINO-LEVULINATE	C(C(C[NH3+])=O)CC([O-])=O
CPD-12763	C([NH3+])CCCC=O
5-AMINOPENTANAMIDE	C(=O)(CCCC[NH3+])N
5-AMINOPENTANOATE	C(CC[NH3+])CC(=O)[O-]
CPD-21420	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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])C(=O)CCC(=O)[O-]
CPD-784	C([O-])(=O)CC(/C([O-])=O)=C\C=C(C([O-])=O)/O
CPD-19731	C(=O)([O-])CC(=O)CC(Cl)C(=O)[O-]
CPD-10633	C1(\C(\OC(=O)\C=1)=C(C(=O)[O-])/Cl)
CPD-10634	C(=O)([O-])\C=C/C(=O)C(Cl)C(=O)[O-]
CPD-15687	CCCCCC/C=C/C=C\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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
5-KETO-4-DEOXY-D-GLUCARATE	C(C(C[C@@H]([C@H](C([O-])=O)O)O)=O)([O-])=O
CPD-15199	C[C@H]1(O[C@@H]([C@@H]([C@@H]1O)O)OP([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)
CPD-15121	C1(/NC(=O)/N=C(C(/F)=1)/N)
CPD0-1327	C1(/NC(=O)NC(=O)C(/F)=1)
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C(\C(=O)N)=C(NC=O)\2))
CPD-824	C(C(CCCNC(N)=[NH2+])=O)(=O)[O-]
CPD-13755	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC[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=C/N=C(C(\N=C/4)=5)/N))))[O-])[O-]
CPD-15158	C([C@@H]2([C@H]([C@@H](O)[C@H](N1(C(/N=C(C(/O)=C\1)/N)=O))O2)O))OP([O-])([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-HYDROXY-TRYPTOPHAN	C1(\NC2(/C=C\C(\O)=C/C(/C(\C[C@@H](C(=O)[O-])[NH3+])=1)=2))
CPD-18497	C1(\NC2(/C=C\C(\O)=C/C(/N=1)=2))
CPD-20830	C(OP([O-])(=O)[O-])[C@@H]3([C@H]([C@@H](O)[C@@H](N1(\C=N/C2(\C=C(\C=C/C\1=2)\O)))O3)O)
5-HYDROXYINDOLE_ACETALDEHYDE	C1(\C(\O)=C/C2(/C(\CC=O)=C\NC(/C=1)=2))
CPD-11671	C(O)CC1(\C2(/C=C(\C=C/C(/N\C=1)=2)/O))
CPD-18495	CC1(\C(\OC)=C/C2(/N=C\NC(/C=1)=2))
CPD-20832	CC1(\C(\OC)=C/C2(/N=C\N(C(/C=1)=2)[C@@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD-18321	COC1(\C=C/C2(/N\C=N/C(\C=1)=2))
CPD-20831	COC1(\C=C/C2(/N(\C=N/C(\C=1)=2)[C@@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD-18320	CC2(\C=C1(C(/N\C=N/1)=C\C=2))
CPD-20838	CC1(\C=C/C2(/N(\C=N/C(\C=1)=2)[C@@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
CPD0-2018	CC1(\C=N/C(=O)NC(/N)=1)
CPD-12869	C[N+]2(\C3(/C=C\C=C/C(/N=C1(C(/C(=O)[O-])=C\C=C/C\1=2))=3))
CPD-1302	CN1([C@H](CNC2(/N=C(N)\NC(=O)C\1=2))CNC3(\C=C/C(/C(=O)N[C@H](C([O-])=O)CCC(N[C@H](C([O-])=O)CCC(N[C@H](C([O-])=O)CCC(=O)[O-])=O)=O)=C\C=3))
5-OXOPROLINE	C(=O)([C@H]1(NC(CC1)=O))[O-]
CPD-22512	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-22511	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD0-2463	C([C@H]1(O[C@H]2([C@@H]([C@@H]1O)OP(O2)([O-])=O)))OP([O-])([O-])=O
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)
5-P-BETA-D-RIBOSYL-AMINE	C(OP([O-])(=O)[O-])[C@@H]1([C@@H](O)[C@@H](O)[C@H]([NH3+])O1)
CPD-342	C[C@@]12(CCC(C[C@@H]1CC[C@@H]4([C@@H]2CC[C@]3([C@H](CCC(=O)3)4)C))=O)
DIMETHYL-D-RIBITYL-LUMAZINE	CC1(\N=C2(C(/N(C[C@H](O)[C@H](O)[C@H](O)CO)C(/C)=1)=N\C(=O)[N-]C(=O)2))
CPD-7244	C([O-])(=O)C1(CC(C(=O)[O-])NC2(C(=O)C(=O)C(/CC([NH3+])C([O-])=O)=C/C1=2))
CPD-12137	C([O-])(=O)C1(CC(C(=O)[O-])NC2(\C\1=C/C(\CC([NH3+])C([O-])=O)=C\C=2))
CPD-12138	C([O-])(=O)C1(CC(C(=O)[O-])NC2(C(=O)C(O)C(/CC([NH3+])C([O-])=O)=C/C1=2))
CPD-9865	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/CC1(\C(\O)=C(\C=C/C=1)\OC)
CPD0-2511	CC1(\C(\O)=C(/C=C(\C=1)/O)\SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE	C(O)C1(\CNC2(/N=C(N)\NC(=O)C(/N=1)=2))
CPDQT-27	CSCCCCC(=O)C([O-])=O
2-KETO-6-AMINO-CAPROATE	C(CC(=O)C(=O)[O-])CC[NH3+]
6-AMINOPENICILLANATE	CC1(C)(S[C@@H]2([C@H]([NH3+])C(=O)N([C@@H](C([O-])=O)1)2))
CPD0-1699	C1(NC2(/N=C(N)\NC(=O)C(/NC1C(=O)[O-])=2))
CPD-21178	C2(S)(\N=C(C1(\C=C/C=C\C=1))/N=C(/C=2)/Cl)
CPD-15667	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-22597	C[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O)C(O)O1)
CPD-22596	C[C@@H]1([C@@H](O)[C@H](O)[C@@H](O)C(O)O1)
6-HYDROXY-NICOTINATE	C1(/N=C(\C=C/C(/C(=O)[O-])=1)/O)
CPD-15152	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(/OC)=C\C(=O)\C=1)
CPD-9872	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(/C=C(C(/O)=1)/OC)/O)
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)
CPD-18529	CC(=O)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(O[C@@H]2CO)O)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-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-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-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-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)
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)
CPD-15676	CCCCCC/C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
DIAMINONONANOATE	CC(C(CCCCCC([O-])=O)[NH3+])[NH3+]
CPD-12427	C12(NC(=O)NC(\C(=O)NC(/N)=N/1)=2)
DIHYDROFOLATE	C(NC1(\C=C/C(/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))
CPD-16458	C1(=O)(C2(\N=C/CNC(NC(=O)N1)=2))
DIHYDROMONAPTERIN-TRIPHOSPHATE	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))
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))
CPD0-1718	C1(\CNC2(/N=C(N)\NC(=O)C(/N=1)=2))
7-8-DIHYDROPTEROATE	C(NC1(\C=C/C(/C(=O)[O-])=C\C=1))C2(CNC3(/N=C(N)\NC(=O)C(/N=2)=3))
CPDQT-28	CSCCCCCC(=O)C([O-])=O
CPD-21419	CC(C(=O)CCC(=O)[O-])C(=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=C/N=C(C(\N=C/2)=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-13043	C12(=C(C(/C([O-])=O)=C\N1)C(=O)NC(/N)=N/2)
CPD-17637	CCCCCC(O)CCCCCC([O-])=O
CPD-17638	CCCCCC(O)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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPDQT-29	CSCCCCCCC(=O)C([O-])=O
8-AMINO-7-OXONONANOATE	CC(C(CCCCCC([O-])=O)=O)[NH3+]
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)=N/C2=3)))
CPD0-1905	C(OP(=O)([O-])OP(=O)(OP([O-])([O-])=O)[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(C(=O)NC3(C(=O)NC(/N)=N/C2=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)=N/C2=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)=N/C2=3)))
CPD-22513	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD-22508	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPDQT-30	CSCCCCCCCC(=O)C([O-])=O
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-5662	C(S)C1(C(NC(N1)=O)CCCCCC(=O)[O-])
CPD-13680	C[C@]13(C(=O)CC[C@H]1[C@@H]2(CCC4(\[C@@](C)([C@@]2(O)CC3)\C=C/C(=O)\C=4)))
CPD-15332	C12(/N=C(NC(C(/O)=N\C(\O)=N/1)=2)/O)
CPD0-2229	CCCCCC/C=C/CCCCCCCCCC(O[C@@H](COP(OC[C@@H](O)CO)([O-])=O)CO)=O
A-3-OXO-ACID	C([R])C(=O)CC(=O)[O-]
CPD1G-124	CCCCCCCCCCCCCCCCCCC1(CC1CCCCCCCCCCC2(CC2CCCCCCCCCCCCCCCCCC(=O)OP(OC[C@@H]5([C@H]([C@H]([C@H](N3(C4(\N=C/N=C(C(\N=C/3)=4)/N)))O5)O)O))([O-])=O))
CARBONYL-GROUP	C(=O)([R1])[R1]
CARBOXYL-GROUP	C(=O)[O-]
COA-GROUP	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCS)COP(=O)(OP(=O)(OC[C@@H]1([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O1)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
GSH-Group	C(S)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-15860	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-])OC[C@H](N[a [citrate-lyase]])C(=O)[a [citrate-lyase]])O1))[C@@H](O2)N3(\C=N/C4(C(/N)=N\C=N/C3=4))))[C@@H](O)C(=O)NCCC(=O)NCCS
CPD-15861	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-])OC[C@H](N[[an <i>apo</i> malonate decarboxylase acyl-carrier protein]])C(=O)[[an <i>apo</i> malonate decarboxylase acyl-carrier protein]])O1))[C@@H](O2)N3(\C=N/C4(C(/N)=N\C=N/C3=4))))[C@@H](O)C(=O)NCCC(=O)NCCS
HYDROXYL-GROUP	[OH-]
CPD-17716	CCCCC\C=C/C\C=C/CCCCCCCC=O
CPD-18805	CC(=O)N[C@H]1([C@H](O[R1])O[C@H](CO)[C@@H](O)[C@H](O)1)
CPD-17987	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C([O-])=O)C([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(=O)C)1))C3(COC([C@H](NC(=O)C)2)O3))
CPD-17986	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([NH3+])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))
CPD-17985	C[C@H](C(=O)N[C@H](C)C(=O)[O-])NC(=O)[C@H](CCC[C@@H]([NH3+])C(=O)[O-])NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)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))
CPD-18809	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C([O-])=O)C(NCC([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(=O)C)1))C3(COC([C@H](NC(=O)C)2)O3))
CPD0-2579	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCCC(NC(=O)[C@@H](C)NC(=O)[C@H](CCC[C@@H]([NH3+])C([O-])=O)NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2([C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R1])[C@H](O)[C@@H](NC(=O)C)1))C3(COC([C@H](NC(=O)C)2)O3)))C([O-])=O)C(N[C@H](C)C([O-])=O)=O)NC(=O)[C@@H](C)O[C@H]5([C@H](O[C@@H]4(O[C@H](CO)[C@@H](O[R3])[C@H](O)[C@@H](NC(=O)C)4))[C@@H](CO)O[C@@H]([C@H](NC(=O)C)5)O[R2])
CPD-17988	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H](NC(=O)[C@H](CCC[C@@H]([NH3+])C([O-])=O)NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2([C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R1])[C@H](O)[C@@H](NC(=O)C)1))C3(COC([C@H](NC(=O)C)2)O3)))C([O-])=O)C(N[C@H](C)C([O-])=O)=O)NC(=O)[C@@H](C)O[C@H]5([C@H](O[C@@H]4(O[C@H](CO)[C@@H](O[R2])[C@H](O)[C@@H](NC(=O)C)4))[C@@H](CO)O[C@H](O[R3])[C@H](NC(=O)C)5)
METHYL-GROUP	C
CPD-18807	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-])OC4([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]([NH3+])C(=O)[O-])C(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]([NH3+])C(=O)[O-])C(N[C@H](C)C([O-])=O)=O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R1])[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-18808	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-])OC2([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]([NH3+])C(=O)[O-])C(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-17968	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](CCC[C@@H]([NH3+])C([O-])=O)C([O-])=O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R])[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
CPD-17969	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](CCC[C@@H]([NH3+])C([O-])=O)C(NCC([O-])=O)=O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R])[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O2))([O-])=O
CPD-17932	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]([NH3+])C([O-])=O)C(N[C@H](C)C(=O)NC(C([O-])=O)CCC[C@@H](C(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]2([C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R3])[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O[C@@H]([C@H](NC(=O)C)2)O[R2]))=O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O[R1])[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O4))([O-])=O
CPD-17947	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]([NH3+])C([O-])=O)C(N[C@@H](C([O-])=O)CCC[C@@H](C(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]2([C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R2])[C@H](O)[C@@H](NC(=O)C)1))[C@@H](CO)O[C@H](O[R3])[C@H](NC(=O)C)2))=O)[C@H](O[C@@H]3(O[C@H](CO)[C@@H](O[R1])[C@H](O)[C@@H](NC(=O)C)3))[C@@H](CO)O4))([O-])=O
CPD-12308	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]([NH3+])C(N)=O)C(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]([NH3+])C(N)=O)C(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-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]([NH3+])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]([NH3+])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-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]([NH3+])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]([NH3+])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-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[NH3+])=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[NH3+])=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-18259	C[C@H](C(=O)N[C@H](C)C([O-])=O)NC(=O)[C@H](CCC[C@@H]([NH3+])C(=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-])=O)[C@H](O[C@@H]1(O[C@H](CO)[C@@H](O[R2])[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)O[R1])
CPD0-2283	C[C@H](C(=O)N[C@H](C)C([O-])=O)NC(=O)[C@H](CCC[C@@H]([NH3+])C(=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]([NH3+])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[R2])[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)O[R1])
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]([NH3+])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]([NH3+])C(NC(=O)[C@H](C)NC(=O)[C@@H](CCCCNC(=O)C[C@@H]([NH3+])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]([NH3+])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)OC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=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-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[NH3+])=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[NH3+])=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[NH3+])=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)OC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=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-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]([NH3+])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]([NH3+])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]([NH3+])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(OC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=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
PHOSPHATE-GROUP	[O-]P([O-])([O-])=O
PYROPHOSPHATE-GROUP	[O-]P(OP(=O)([O-])O)(=O)[O-]
THIOL-GROUP	[C-3]S
MONOMER0-4342	C(=O)([a prolipoprotein])[C@@H](N[a lipoprotein signal peptide])CSC[C@H](OC([R2])=O)COC([R1])=O
A-DARA-HEX-2:5_2:KETO	
A-DARA-PEN-1:4	
A-DGAL-HEX-1:4	
A-DGAL-HEX-1:5	
A-DGAL-HEX-1:5_6:A	
A-DGAL-HEX-1:5_6:D	
A-DGLC-HEX-1:4_6:A	
A-DGLC-HEX-1:5	
A-DGLC-HEX-1:5_6:A	
A-DGLC-HEX-1:5_6:D	
A-DGRO-DGAL-NON-2:6_1:A_2:KETO_3:D	
A-DIDO-HEX-1:5_6:A	
A-DMAN-HEX-1:5	
A-DMAN-HEX-1:5_6:A	
A-DMAN-HEX-1:5_6:D	
A-DMAN-OCT-2:6_1:A_2:KETO_3:D	
A-DXYL-PEN-1:5	
A-HEP-1:5	
A-HEX-1:5	
A-HEX-1:5_6:A	
A-LARA-PEN-1:4	
A-LGAL-HEX-1:5	
A-LGAL-HEX-1:5_6:D	
A-LGLC-HEX-1:5_6:A	
A-LIDO-HEX-1:5_6:A	
A-LMAN-HEX-1:5_6:D	
A-LXYL-PEN-1:5	
A-XGAL-HEX-1:5_6:A	
A-XGLC-HEX-1:5	
CPD-10782	CCCCCC(=O)CC(N[C@H]1(CCOC(=O)1))=O
ACETALD	CC=O
ACETAMIDE	CC(=O)N
ACET	CC([O-])=O
3-KETOBUTYRATE	CC(=O)CC([O-])=O
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
ACETONE	CC(=O)C
ACETYL-P	CC(OP([O-])(=O)[O-])=O
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-320	CC=[N+](O)[O-]
CPD-19221	C(S)(=O)C1(\C2(\S\N=N/C(\C=C/C=1)=2))
CPD-19219	CSC(=O)C1(\C2(\S\N=N/C(\C=C/C=1)=2))
ACRYLAMIDE	C=CC(=O)N
ACRYLATE	C=CC([O-])=O
ACRYLONITRILE	C=CC#N
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
ADENINE	C2(N)(\N=C/N=C1(C(/N=C\N1)=2))
CPD-20826	C(OP([O-])(=O)[O-])[C@@H]3([C@H]([C@@H](O)[C@H](N1(\C=N/C2(\C/1=C(N)/N=C\N=2)))O3)O)
ADENINE-RING	C1(\NC2(\C(\N=1)=N/C=N\C(/N)=2))
ADENOSINE	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(/N)=N\C=N/C2=3)))
CPD-3707	C4(\N=C3(C(/N=C\N([C@H]1([C@H]2([C@@H]([C@H](O1)CO)OP(O2)([O-])=O)))3)=C(N)\N=4))
CPD-3705	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)OP(=O)([O-])[O-])O))O
3-5-ADP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)OP(=O)([O-])[O-]))OP([O-])([O-])=O
CPD-3706	C3(\N=C1(C(/N=C\N1[C@H]2([C@@H]([C@@H]([C@H](O2)CO)OP([O-])([O-])=O)O))=C(N)\N=3))
CPD-13713	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP(=O)([O-])O[Se](=O)(=O)O
APS	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP(OS(=O)([O-])=O)([O-])=O
CPD-690	CC3(\C%11(/[C@@H](CCC([O-])=O)C(C)(C)C4(\[N+](\[Co-2]15([N+]7(/[C@@](C)([C@H]2([C@H](CC(=O)[O-])[C@@](C)(CCC([O-])=O)C(\N12)=3))[C@@](C)(CC(N)=O)[C@H](CCC([O-])=O)C(\C(/C)=C6([C@@](C)(CC(N)=O)[C@H](CCC([O-])=O)C(\C=4)=[N+]56))=7))(C[C@@H]8([C@H]([C@@H](O)[C@@H](O8)N9(\C=N/C%10(C(/N)=N\C=N/C9=%10)))O)))=%11)))
ADENOSYLCOBINAMIDE-P	C[C@@H](OP([O-])(=O)[O-])CNC(=O)CC[C@]1(C)([C@@H](CC(=O)N)[C@@H]%11([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(\C(/C)=C4([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-2]([N+]\2=3)([N+]4=5)([N+]\6=7)C[C@@H]8([C@H]([C@@H](O)[C@@H](O8)N9(\C=N/C%10(C(/N)=N\C=N/C9=%10)))O))%11))))))))
ADENOSYLCOBALAMIN	CC%15(\C=C%12(C(/N%13([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@@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C4(\C(/C)=C5([C@@](CC(=O)N)([C@H](CCC(N)=O)C6(\C=C7(C(C)(C)[C@H](CCC(N)=O)C8(\C(/C)=C1/N2[Co-3]([N+]\3=4)([N+]5=6)([N+]\7=8)(C[C@@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(\C=N/C%11(\C/%10=N/C=N\C(/N)=%11)))O))[N+]/%12=C/%13))))C)))))(C))[C@@H](O)%14)))=C\C(/C)=%15))
ADENOSYLCOBALAMIN-5-P	CC%15(\C=C%12(C(/N%13([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@@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C4(\C(/C)=C7([C@@](CC(=O)N)([C@H](CCC(N)=O)C8(\C=C5(C(C)(C)[C@H](CCC(N)=O)C6(\C(/C)=C1/N2[Co-3]([N+]\3=4)([N+]\5=6)([N+]7=8)(C[C@@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(\C=N/C%11(\C/%10=N/C=N\C(/N)=%11)))O))[N+]/%12=C/%13))))C)))))(C))[C@@H](O)%14)))=C\C(/C)=%15))
ADENOSYLCOBINAMIDE	C[C@@H](O)CNC(=O)CC[C@]1(C)([C@@H](CC(=O)N)[C@@H]%11([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(\C(/C)=C4([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-2]([N+]\2=3)([N+]4=5)([N+]\6=7)C[C@@H]8([C@H]([C@@H](O)[C@@H](O8)N9(\C=N/C%10(C(/N)=N\C=N/C9=%10)))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=N/C3(C(=O)NC(/N)=N/C2=3))))CNC(=O)CC[C@]4(C)([C@@H](CC(=O)N)[C@@H]%14([C@@]%12(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C%13(\C(/C)=C%10([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C%11(\C=C8(C(C)(C)[C@H](CCC(N)=O)C9(\C(/C)=C4/N([Co-2](C[C@@H]7([C@@H](O)[C@H]([C@H](N5(\C=N/C6(C(/N)=N\C=N/C5=6)))O7)O))([N+]\8=9)([N+]%10=%11)[N+]\%12=%13)%14))))))))
CPD-691	CC5(\C%11(/[C@@H](CCC(N)=O)C(C)(C)C1(\[N+](\[Co-2]36([N+]2(C(/[C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C(\C=1)=2)=C(C)/C7(\[C@@H](CCC(N)=O)[C@](C)(CC(N)=O)[C@](C)([C@H]4([C@H](CC(=O)N)[C@@](C)(CCC([O-])=O)C(\N34)=5))[N+]/6=7)))(C[C@@H]8([C@H]([C@@H](O)[C@@H](O8)N9(\C=N/C%10(C(/N)=N\C=N/C9=%10)))O)))=%11)))
ADENYLOSUCC	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(/NC(CC(=O)[O-])C(=O)[O-])=N\C=N/C2=3)))
CPD-13035	C(OP(=O)([O-])OP(=O)([O-])OCC2(OC1(NC4(/N=C(N)\NC(=O)C(/NC1C3(\S[Mo](=O)(=O)SC\2=3))=4))))[C@H]5(O[C@H]([C@H](O)[C@H](O)5)N6(\C=N/C7(C(/N)=N\C=N/C6=7)))
CPD-20736	CC4(\C(=O)NC(=O)N([C@@H]3(O[C@H](COP(O[C@H]2(C[C@H](N1(C(=O)/N=C(\C=C/1)/N))O[C@H](COP(O[a deoxyribonucleic acid])(=O)[O-])2))(=O)[O-])[C@@H](OP(=O)([O-])O[a deoxyribonucleic acid])C3))\C=4)
CPD-20737	CC1(\C(=O)NC(=O)N(\C=1)[C@@H]4(O[C@H](COP(O[a deoxyribonucleic acid])(=O)[O-])[C@@H](OP(OC[C@H]3(O[C@@H](N2(C(=O)/N=C(\C=C/2)/N))C[C@H](OP(=O)([O-])O[a deoxyribonucleic acid])3))(=O)[O-])C4))
ADP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP(OP(=O)([O-])[O-])([O-])=O
ADP-GROUP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=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=C/N=C(C(\N=C/2)=3)/N)))O4)O)O))(=O)[O-])(=O)[O-])O)O)O))O
ADP-D-GLYCERO-D-MANNO-HEPTOSE	C(O)[C@@H](O)[C@H]4(O[C@@H](OP(OP(OC[C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))([O-])=O)(=O)[O-])[C@H]([C@H]([C@@H]4O)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=C/N=C(C(\N=C/2)=3)/N)))O4)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=C/N=C(C(\N=C/1)=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[NH3+])NC(N)=[NH2+]
ARABINOSE-5P	C(=O)[C@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O
CPD-15633	C(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
CPD-15373	C(=O)[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
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-]
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-]
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-]
CPD-13524	CC(/C=C/C1(/C(C)(C)CCCC(/C)=1))=C\C=C\C(/C)=C\CO
CHOCOLA_A	CCCCCCCCCCCCCCCC(OC/C=C(C)/C=C/C=C(C)/C=C/C1(/C(CCCC(/C)=1)(C)C))=O
undecaprenyl	C/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C
ALLANTOATE	C(C(=O)[O-])(NC(=O)N)NC(=O)N
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))
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
OCTADEC-9-ENE-118-DIOIC-ACID	C(=O)([O-])CCCCCCC\C=C/CCCCCCCC(=O)[O-]
CPD-12044	C(O)[C@@H]1([C@@H](O)[C@H](O)[C@@H](O)O1)
CPD-10723	C(O)[C@H]1(O[C@@](O)(CO)[C@H]([C@@H]1O)O)
CPD-14019	C[C@@H]1([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)O1)
CPD0-2486	C(O)[C@@H](O)[C@H]1([C@H](O)[C@@H](O)[C@H](O1)O)
ALPHA-D-GALACTOSE	C(O)[C@H]1(O[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)1)
CPD-12523	C([O-])(=O)[C@@H]1([C@@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)
ALPHA-GLUCOSE	C(O)[C@H]1(O[C@@H]([C@@H]([C@H]([C@@H]1O)O)O)O)
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)
GLUCOSAMINE-1P	C(O)[C@H]1(O[C@H](OP(=O)([O-])[O-])[C@H]([NH3+])[C@@H](O)[C@H](O)1)
CPD-13469	C(OP([O-])(=O)[O-])[C@H]1(O[C@H](O)[C@H]([NH3+])[C@@H](O)[C@H](O)1)
ALPHA-GLC-6-P	C(OP(=O)([O-])[O-])[C@H]1(O[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
CPD-14488	[C@H]1(O)([C@@H](O)[C@@H](O)O[C@H](C(=O)[O-])[C@@H](O)1)
CPD-21253	C([O-])(=O)[C@H]1(O[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)1)
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)
CPD-13559	C(O)[C@@H]1([C@@H](O)[C@H](O)[C@H](O)[C@@H](O)O1)
MANNOSE-1P	C(O)[C@H]1(O[C@H](OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)[C@H](O)1)
CPD-10543	C[C@@H]1([C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)O1)
CPD-13829	C[C@@H]1([C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)
RIBOSE-15-BISPHOSPHATE	C([C@H]1(O[C@@H]([C@@H]([C@@H]1O)O)OP([O-])([O-])=O))OP([O-])([O-])=O
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)
CPD0-2480	CP([O-])(=O)O[C@@H]1([C@@H]([C@@H]([C@H](O1)COP(=O)([O-])[O-])O)O)
CPD0-2479	CP([O-])(=O)O[C@@H]1([C@@H]([C@@H]([C@H](O1)COP(OP(=O)([O-])OP(=O)([O-])[O-])([O-])=O)O)O)
RIBOSE-1P	C(O)[C@@H]1([C@@H](O)[C@@H](O)[C@@H](OP(=O)([O-])[O-])O1)
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-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
XYLOSE	C1(O[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
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-])
CPD-19720	C=CC1(\C3(/C=C8(C(/C)=C(CCC(=O)[O-])/C4(/N([Fe-2]26(N7(C(/C(/O)=C(C(/C)=1)\[N+]/2=3)=C(C=C)/C(\C)=C(\C=C5(C(/C)=C(CCC(=O)[O-])/C(\C=4)=[N+]5/6))\7)))8))))
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))
CPD-22410	CCCCCCCCCCCC(=O)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)CCCCCCC)OP([O-])([O-])=O)OC[C@@H]4([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCC)=O)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4)))CCCCCCCCC
CPD-22413	CCCCCCCCCCCC(=O)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)CCCCCCC)OP([O-])([O-])=O)OC[C@@H]4([C@@H](O)[C@H](OC(C[C@H](O)CCCCCCC)=O)[C@@H](NC(=O)C[C@H](OC(=O)[C@@H](O)CCCCCCCCCC)CCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4)))CCCCCCCCC
CPD-22414	CCCCCCCCCCCC(=O)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)CCCCCCC)OP([O-])([O-])=O)OC[C@@H]4([C@@H](O)[C@H](O)[C@@H](NC(=O)C[C@H](OC(=O)[C@@H](O)CCCCCCCCCC)CCCCCCCCC)[C@@H](OP([O-])([O-])=O)O4)))CCCCCCCCC
CPD-22411	CCCCCCCCCCCC(O[C@@H](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)CCCCCCC)=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)CCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCC)OP([O-])([O-])=O)))CCCCCCCCC)=O
CPD-22412	CCCCCCCCCCCC(O[C@@H](CC(=O)N[C@H]1([C@@H](OP([O-])([O-])=O)O[C@@H]([C@@H](O)[C@H](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)CCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCC)OP([O-])([O-])=O)))CCCCCCCCC)=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))
CPD-22409	CCCCCCCCC[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)CCCCCCC)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)CCCCCCCCC)OC(=O)C[C@H](O)CCCCCCC)OP([O-])([O-])=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-]))
CPD-22408	CCCCCCCCC[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)CCCCCCC)=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)CCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCC)OP([O-])(=O)[O-]))
CPD-12045	C(O)[C@H]1([C@H](O)[C@@H](O)[C@H](O)O1)
CPD-10329	C[C@@H]1(O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O)
CPD-13428	C([C@@H]1(O[C@H]([C@H]([C@@H]([C@@H]1O)O)O)O))O
CPD-12515	C([O-])(=O)[C@@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
RHAMNOSE	C[C@H]1([C@@H]([C@H]([C@H]([C@@H](O1)O)O)O)O)
CPD-21258	[C@H]1(O)(OC[C@H](O)[C@@H](O)[C@H](O)1)
LINOLENIC_ACID	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-]
LINOLENOYL-COA	CC\C=C/C\C=C/C\C=C/CCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[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
CPD-13997	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)OP([O-])(=O)[O-])CO)))O
ALPHA-RIBAZOLE	CC1(\C(/C)=C/C2(/N(\C=N/C(\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=N/C(\C=1)=2)[C@@H]3([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O3)))
AMIDINOPROCLAVAMINATE	C1(CCN([C@@H]([C@@H](CCNC(N)=[NH2+])O)C(=O)[O-])1)=O
AMINO-PARATHION	CCOP(OC1(\C=C/C(/N)=C\C=1))(OCC)=S
AMMONIUM	[NH4+]
AMP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP([O-])([O-])=O
AMP-GROUP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP([O-])([O-])=O
CPD-9195	CC1(C)([C@H](C(=O)[O-])N2([C@H](S1)[C@@H](C(=O)2)NC(=O)[C@H]([NH3+])C3(\C=C/C=C\C=3)))
TYPE-I-FAS-ACP-GROUP	CC(C)(COP(=O)([O-])OC[C@H](N[a type I fatty acid synthase])C(=O)[a type I fatty acid synthase])[C@@H](O)C(=O)NCCC(=O)NCCS
ALCOHOL-GROUP	C([R2])(O)([R3])[R1]
AMINO-GROUP	[C-3][NH3+]
IMINO-GROUP	[C-2]=[NH2+]
OMEGA-C55-DOLICHOL-P-GROUP	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-])[O-])C
CPD-7598	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCO
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)
CPD-13704	C[C@@]34(\C=C/C(=O)\C=C(CC[C@@H]1([C@H](CC[C@]2(C)(C(CC[C@@H]12)=O))3))/4)
ANDROSTERONE	C[C@@]24(CC[C@@H](O)C[C@H](CC[C@H]3([C@@H]1(CCC(=O)[C@](C)1CC[C@H]23)))4)
CPD-9990	C3(\N\C=N/C(\CCN(O)C([C@H]2(\N=C(C1(\C(\O)=C(\C=C/C=1)\O))/SC2))=O)=3)
ANTHRANILATE	C(C1(\C(\N)=C/C=C\C=1))(=O)[O-]
2-AMINOBENZOYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C1(\C(\N)=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
ANTIMONITE	[O-][Sb]([O-])[O-]
CPD-5744	CCCCCCC1([C@H]([C@@H](OC([C@H]([C@H](OC1=O)C)NC(C2(/C=C\C=C(C(\O)=2)\NC=O))=O)=O)C)OC(CC(C)C)=O)
CPD-12936	CC(C)=CCCC(\C)=C/C=C/C(\C)=C/C=C/C(\C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C=O
CPD-12937	CC(C)=CCCC(\C)=C/C=C/C(\C)=C/C=C/C(\C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/C([O-])=O
ARACHIDIC_ACID	CCCCCCCCCCCCCCCCCCCC(=O)[O-]
ARACHIDONYL-COA	CCCCC\C=C/C\C=C/C\C=C/C\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-9965	CCCCCCCCCCCCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE	C1(/C=C(\C=C/C(/O)=1)/O[C@@H]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2))
ARSENATE	[As](=O)(O)([O-])[O-]
CPD-763	[As](O)([O-])O
ATABRINE	CC[NH+](CCCC(NC2(\C3(C(/[NH+]=C1(\C=C/C(/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=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-]
ATRAZINE	CCNC1(\N=C(NC(C)C)/N=C(\N=1)/Cl)
CPD-2841	[N-]=[N+]=[N-]
B-DARA-HEX-2:5_2:KETO	
B-DARA-HEX-2:6_2:KETO	
B-DGAL-HEX-1:4	
B-DGAL-HEX-1:5	
B-DGAL-HEX-1:5_6:A	
B-DGLC-HEX-1:5	
B-DGLC-HEX-1:5_6:A	
B-DGLC-HEX-1:5_6:D	
B-DGRO-DGAL-NON-2:6_1:A_2:KETO_3:D	
B-DIDO-HEX-1:5_6:A	
B-DMAN-HEX-1:5	
B-DMAN-HEX-1:5_6:A	
B-DMAN-HEX-1:5_6:D	
B-DMAN-OCT-2:6_1:A_2:KETO_3:D	
B-DXYL-PEN-1:5	
B-HEP-1:5	
B-HEX-1:5	
B-HEX-1:5_6:A	
B-LARA-PEN-1:4	
B-LGAL-HEX-1:5	
B-LGAL-HEX-1:5_6:D	
B-LIDO-HEX-1:5_6:A	
B-LMAN-HEX-1:5_6:D	
B-PEN-1:4	
B-PEN-1:5	
B-XGAL-HEX-1:5	
B-XGLC-HEX-1:5_6:A	
B-XXYL-PEN-1:5	
BENZALDEHYDE	C(=O)C1(\C=C/C=C\C=1)
BENZENE	C1(\C=C/C=C\C=1)
BENZIMIDAZOLE	C1(\NC2(\C(\N=1)=C/C=C\C=2))
CPD-20829	C(OP([O-])(=O)[O-])[C@@H]3([C@H]([C@@H](O)[C@@H](N1(\C=N/C2(\C=C/C=C\C/1=2)))O3)O)
BENZOATE	C(C1(\C=C/C=C\C=1))([O-])=O
BENZYL-ALCOHOL	C(C1(\C=C/C=C\C=1))O
CPD-21128	C(C1(\C=C/C=C\C=1))S
CPD-8981	C(CC(N)=O)[NH3+]
B-ALANINE	C(C[NH3+])C([O-])=O
CPD-16470	C([O-])(=O)CC[C@@H](C([O-])=O)NC(=O)C(CC(=O)[O-])(O)CC(=O)[O-]
CPD-22333	C(N)(=O)CC[C@@H](C([O-])=O)NC(=O)C(CC(=O)[O-])(O)CC(=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
BETA-D-FRUCTOSE	C(O)[C@H]1(O[C@](O)(CO)[C@H]([C@@H]1O)O)
FRU1P	C(O)[C@@H]1([C@@H](O)[C@H](O)[C@](COP([O-])([O-])=O)(O)O1)
FRUCTOSE-6P	C(OP(=O)([O-])[O-])[C@H]1(O[C@@](CO)(O)[C@@H](O)[C@H](O)1)
CPD-10726	C(O)[C@@]1(O)(OC[C@@H](O)[C@@H](O)[C@H](O)1)
FRUCTOSE-16-DIPHOSPHATE	C([C@@H]1([C@H]([C@@H]([C@](O1)(COP(=O)([O-])[O-])O)O)O))OP([O-])(=O)[O-]
GALACTOSE	C(O)[C@H]1(O[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1)
CPD-12524	C([O-])(=O)[C@@H]1([C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)
GLC	C(O)[C@H]1(O[C@@H](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
CPD-12521	[C@H]1(O)([C@@H](O)[C@H](O)O[C@H](C(=O)[O-])[C@@H](O)1)
CPD-21252	C([O-])(=O)[C@H]1(O[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)1)
CPD-12601	C(O)[C@@H]1([C@@H](O)[C@H](O)[C@H](O)[C@H](O)O1)
CPD-15205	C([O-])(=O)[C@H]1(O[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)1)
CPD0-1108	C([C@@H]1([C@@H](O)[C@@H](O)[C@H](O)O1))O
CPD0-1110	C1(O[C@H]([C@@H]([C@@H]([C@@H]1O)O)O)O)
CPD-8259	C(O)[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(\C=C/C=C(/C=2)/C(=O)[O-]))
BETA-D-XYLOSE	C1(O[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
CPD-12046	C(O)[C@H]1([C@H](O)[C@@H](O)[C@@H](O)O1)
CPD0-1107	C[C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O)
L-GALACTOSE	C([C@@H]1(O[C@@H]([C@H]([C@@H]([C@@H]1O)O)O)O))O
CPD-21254	C([O-])(=O)[C@@H]1(O[C@H](O)[C@H](O)[C@@H](O)[C@H](O)1)
CPD0-1112	C[C@@H]1(O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)O)
NICOTINAMIDE_NUCLEOTIDE	C(OP(=O)([O-])[O-])[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(\C=C/C=C(/C=2)/C(=O)N))
NICOTINATE_NUCLEOTIDE	C(OP([O-])(=O)[O-])[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)[N+]2(\C=C/C=C(/C=2)/C(=O)[O-]))
BETAINE_ALDEHYDE	C[N+](C)(CC=O)C
CPD-22401	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(C[N+](C)(C)C)=O)COP(=O)(OP(=O)(OC[C@H]1(O[C@H]([C@@H]([C@@H]1OP([O-])(=O)[O-])O)N2(C3(\N=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
BIOTIN	C1(S[C@@H](CCCCC(=O)[O-])[C@H]2(NC(=O)N[C@@H]12))
BIO-5-AMP	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP([O-])(=O)OC(=O)CCCC[C@@H]4(SC[C@@H]5(NC(=O)N[C@H]45))
BIPHENYL-23-DIOL	C2(\C=C/C(/C1(/C(/O)=C(\C=C/C=1)/O))=C\C=2)
CPD-15873	C([C@H]8(O[C@H]%10(NC%11(/N=C(N)\NC(=O)C(/N[C@@H](C9(\S[Mo]4(=O)(SC5(/[C@@H](COP([O-])(=O)OP(=O)([O-])OC[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=3))))O[C@@H]6([C@H](C(\S4)=5)NC7(\C(=O)NC(/N)=N/C(\N6)=7))))SC\8=9))%10)=%11))))OP([O-])(=O)OP(OC[C@@H]%12([C@@H](O)[C@@H](O)[C@@H](O%12)N%13(\C=N/C%14(C(=O)NC(/N)=N/C%13=%14))))([O-])=O
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)=N/C(\N3)=4))))SC\5=6))7)=8))))OP([O-])(=O)[O-]
CPD-22352	CCC(C)SP(SC(CC)C)(=O)[O-]
BR-	[Br-]
CPD-614	C(Br)Cl
BUTANAL	CCCC=O
BUTANOL	CCCCO
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CA+2	[Ca+2]
CADAVERINE	C([NH3+])CCCC[NH3+]
CPD-22346	CCC(C)SP(SC(CC)C)(=O)OCC
CPD-15301	CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1(/C(/SC)=C(C2(\C=C/SC(\C(\O)=1)=2))/O)
CPD-9612	CC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC1(/C(=O)C2(/S\C=C/C(/C(=O)C(/SC)=1)=2))
CANAVANINOSUCCINATE	C(ONC(NC(CC(=O)[O-])C(=O)[O-])=[NH2+])C[C@H]([NH3+])C([O-])=O
CARBAMATE	C(=O)([O-])N
CARBAMOYL-P	C(=O)(N)OP(=O)([O-])[O-]
CARBON-MONOXIDE	[C-]#[O+]
H2CO3	C(O)(=O)O
CPD-9995	C(CC[NH3+])[NH2+]CCC([NH3+])C([O-])=O
CPD-18238	C(=O)([O-])OP([O-])(=O)O
CPD-11740	C(P(C([O-])=O)([O-])=O)C(=O)C(=O)[O-]
CPD-10012	C([NH3+])CC[NH2+]CCC[C@H]([NH3+])C([O-])=O
CATECHOL	C1(\C=C/C(/O)=C(\C=1)/O)
CD+2	[Cd+2]
CDP	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)O))OP(OP([O-])([O-])=O)([O-])=O
CDP-GROUP	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)O))OP(OP([O-])(=O)O)([O-])=O
CPD-19953	CCN1(C(=O)C(=O)N(CC1)C(=O)N[C@H](C2(\C=C/C(/O)=C\C=2))C(=O)N[C@H]5(C(=O)N4(C(C(O)=O)=C(CSC3(\N(C)\N=N/N=3))CS[C@@H]45)))
CHLORAMPHENICOL	C(O)[C@@H](NC(=O)C(Cl)Cl)[C@@H](C1(\C=C/C(/[N+](=O)[O-])=C\C=1))O
CHLORAMPHENICOL-3-ACETATE	CC(=O)OC[C@@H](NC(=O)C(Cl)Cl)[C@@H](C1(\C=C/C(/[N+](=O)[O-])=C\C=1))O
CPD-22345	CC1(/C2(\C=C/C(/O)=C\C(\OC(C(/Cl)=1)=O)=2))
CL-	[Cl-]
CHLORITE	Cl([O-])=O
CPD-8963	CCOP(OC1(/N=C(C(/Cl)=C\C(\Cl)=1)/Cl))(OCC)=S
CHOLINE	C(CO)[N+](C)(C)C
CPD-543	C[N+](CCOS(=O)(=O)[O-])(C)C
CHORISMATE	C=C(C(=O)[O-])O[C@H]1([C@H](O)\C=C/C(/C([O-])=O)=C\1)
CPD-4422	[Cr](=O)(O)([O-])=[O-]
CPD-674	C(=O)([O-])/C=C/C1(\C=C/C=C\C=1)
CIS-CIS-MUCONATE	C(\C=C/C([O-])=O)=C\C([O-])=O
CPD-1136	CC(\C([O-])=O)=C(CC([O-])=O)\C([O-])=O
CIS-ACONITATE	C([O-])(=O)C(/CC(=O)[O-])=C/C(=O)[O-]
CPD-7417	C([C@H]2(O[C@@H](OC1(\C=C/C=C\C(\C=C/C(=O)[O-])=1))[C@@H]([C@H]([C@@H]2O)O)O))O
4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE	C1(\C(\OC(=O)\C=1)=C\C(=O)[O-])
CPD-9247	CCCCCC\C=C/CCCCCCCCCC(=O)[O-]
CPD-18346	CCCCCC\C=C/CCCCCCCCCC(=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=N/C3(C(/N)=N\C=N/C2=3))))=O
2-METHYLMALEATE	CC(\C(=O)[O-])=C\C(=O)[O-]
CIT	C(=O)([O-])CC(C(=O)[O-])(O)CC(=O)[O-]
CLAVAMINATE	[C@H]12(N(C(=O)C1)[C@H](C([O-])=O)C(\O2)=C\C[NH3+])
CMP	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)O))OP([O-])([O-])=O
CMP-GROUP	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/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=C/1)/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=C/1)/N)=O))O2)O)O))O[C@H]3[C@H](O)[C@H](O)CO)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=C/C(/N)=N\C2=O))O)O))([O-])=O)O3)O)NC(=O)C)
CARBON-DIOXIDE	C(=O)=O
CO+2	[Co+2]
CPD-20853	C[C@@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N%14(C%15(/C(/N)=N\C(/C)=N/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20852	C[C@@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N%14(C%15(/C(/N)=N\C(/C)=N/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20849	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N%14(C%15(/C=C\C(\O)=C/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20855	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N%14(C%15(/C=C\C(\O)=C/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20848	CC%15(/C=C2(C(/[N+]3(/[Co-3]689([N+]%11(/[C@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C%10([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C7(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C5([C@](CCC(NC[C@@H](C)OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N2/C=3))=O)([C@@H](CC(N)=O)[C@H]4N56)C))=[N+]7\8))=[N+]9%10)C))=%11)))(C[C@@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(\C=N/C%14(\C/%13=N/C=N\C(/N)=%14)))O))))=C\C(\OC)=%15))
CPD-20836	CC%15(/C=C2(C(/[N+]3(/[Co-3]689([N+]%11(/[C@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C%10([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C7(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C5([C@](CCC(NC[C@@H](C)OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N2/C=3))=O)([C@@H](CC(N)=O)[C@H]4N56)C))=[N+]7\8))=[N+]9%10)C))=%11)))(C[C@@H]%12([C@H]([C@@H](O)[C@@H](O%12)N%13(\C=N/C%14(\C/%13=N/C=N\C(/N)=%14)))O))))=C\C(\OC)=%15))
CPD-20847	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N%14(C%15(\C(\[N+](\[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C/%14)=C/C(/OC)=C\C=%15))))
CPD-13940	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N%14(C%15(\C(\[N+](\[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C/%14)=C/C(/OC)=C\C=%15))))
CPD-20846	CC%12(\C=C/C%13(/N%14([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@@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C4(\C(/C)=C7([C@@](CC(=O)N)([C@H](CCC(N)=O)C8(\C=C5(C(C)(C)[C@H](CCC(N)=O)C6(\C(/C)=C1/N2[Co-3]([N+]\3=4)([N+]\5=6)([N+]7=8)(C[C@@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(\C=N/C%11(\C/%10=N/C=N\C(/N)=%11)))O))[N+](\C(/C=%12)=%13)=C/%14))))C)))))(C))[C@@H](O)%15))))
CPD-20839	CC%12(\C=C/C%13(/N%14([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@@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C4(\C(/C)=C7([C@@](CC(=O)N)([C@H](CCC(N)=O)C8(\C=C5(C(C)(C)[C@H](CCC(N)=O)C6(\C(/C)=C1/N2[Co-3]([N+]\3=4)([N+]\5=6)([N+]7=8)(C[C@@H]9([C@H]([C@@H](O)[C@@H](O9)N%10(\C=N/C%11(\C/%10=N/C=N\C(/N)=%11)))O))[N+](\C(/C=%12)=%13)=C/%14))))C)))))(C))[C@@H](O)%15))))
CPD-17189	C[C@@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N%14(C%15(/C(/N)=N\C=N/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20856	C[C@@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N%14(C%15(/C(/N)=N\C=N/C(/[N+](/[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C\%14)=%15))))
CPD-20845	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](CO)1)N%14(C%15(\C(\[N+](\[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C/%14)=C/C=C\C=%15))))
CPD-20833	C[C@H]2(OP([O-])(=O)O[C@H]1([C@@H](O)[C@H](O[C@H](COP([O-])(=O)[O-])1)N%14(C%15(\C(\[N+](\[Co-3]578([N+]%10(/[C@]3(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C(\C=C6(C(C)(C)[C@H](CCC(N)=O)C(\C(/C)=C4([C@](CCC(NC2)=O)([C@@H](CC(N)=O)[C@H]3N45)C))=[N+]6\7))=[N+]89)C))=%10)))(C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))=C/%14)=C/C=C\C=%15))))
COB-I-ALAMIN	CC%12(\C=C8(C(/N9([C@H]%11(O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]1(C)([C@@H](CC(N)=O)[C@@H]%10([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C7(\C(/C)=C4([C@](CC(=O)N)(C)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-4]([N+]\2=3)([N+]4=5)([N+]\6=7)[N+]/8=C/9)%10)))))))))[C@@H](O)%11)))=C\C(/C)=%12))
CPD-20909	CC3(\C8(/[C@@H](CCC([O-])=O)[C@](C)(C)C4(\[N+](\[Co-3]25([N+]7(/[C@]([C@@H]1([C@@H]([C@](CCC([O-])=O)(C)C(\N12)=3)CC([O-])=O))(C)[C@@](C)(CC(N)=O)[C@H](CCC(=O)[O-])C(\C(/C)=C6([C@@](C)(CC(N)=O)[C@@H](C(\C=4)=[N+]56)CCC([O-])=O))=7)))=8))).[a [corrinoid adenosyltransferase]]
CPD-1829	CC%12(\C=C8(C(/N9([C@H]%11(O[C@H](CO)[C@@H](OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@]1(C)([C@@H](CC(N)=O)[C@@H]%10([C@@]4(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C5(\C(/C)=C6([C@](CC(=O)N)(C)[C@H](CCC(N)=O)C7(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-3]([N+]\2=3)([N+]\4=5)([N+]6=7)[N+]/8=C/9)%10)))))))))[C@@H](O)%11)))=C\C(/C)=%12))
CPD-20903	C[C@@H](O)CNC(=O)CC[C@]1(C)([C@@H](CC(=O)N)[C@@H]8([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(\C(/C)=C4([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-2]([N+]\2=3)([N+]4=5)[N+]\6=7)8))))))))
CPD-689	CC3(\C8(/[C@@H](CCC([O-])=O)[C@](C)(C)C4(\[N+](\[Co-2]25([N+]7(/[C@]([C@@H]1([C@@H]([C@](CCC([O-])=O)(C)C(\N12)=3)CC([O-])=O))(C)[C@@](C)(CC(N)=O)[C@H](CCC(=O)[O-])C(\C(/C)=C6([C@@](C)(CC(N)=O)[C@@H](C(\C=4)=[N+]56)CCC([O-])=O))=7)))=8)))
CPD-20908	CC3(\C8(/[C@@H](CCC([O-])=O)[C@](C)(C)C4(\[N+](\[Co-2]25([N+]7(/[C@]([C@@H]1([C@@H]([C@](CCC([O-])=O)(C)C(\N12)=3)CC([O-])=O))(C)[C@@](C)(CC(N)=O)[C@H](CCC(=O)[O-])C(\C(/C)=C6([C@@](C)(CC(N)=O)[C@@H](C(\C=4)=[N+]56)CCC([O-])=O))=7)))=8))).[a [corrinoid adenosyltransferase]]
CPD-15182	CC2(\C8(/[C@@H](CCC([O-])=O)[C@](C)(C)C3(\[N+](\[Co-2]47(N1([C@@H]([C@@H]([C@](CCC([O-])=O)(C)C/1=2)CC([O-])=O)[C@@]6(C)([C@@](C)(CC([O-])=O)[C@H](CCC(=O)[O-])C(\C(/C)=C5([C@@](C)(CC(N)=O)[C@@H](C(\C=3)=[N+]45)CCC([O-])=O))=[N+]6\7))))=8)))
COBALT-FACTOR-III	CC5(\C8(\N2(C(/C=C6(C(/CCC(=O)[O-])=C(CC(=O)[O-])/C7(\C=C1([C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C3(\N1[Co-2]2([N+]4(C(/[C@@](C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(\C=3)=4)=5))[N+]/6=7)))))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=8)))
CPD-9040	CC7(\C2(\N1([Co-2]35([N+]8(C(/CC/1=C(CCC(=O)[O-])\C(/CC(=O)[O-])=2)=C(CCC(=O)[O-])/C(CC(=O)[O-])C(\C=C4([C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(\N34)=C\C6([C@@H](CCC(=O)[O-])[C@](C(\[N+]5=6)=7)(C)CC([O-])=O)))=8)))))
CPD-9041	CC3(OC(=O)C[C@@]4(C)([C@H](CCC(=O)[O-])C8(\N2([Co-2]15([N+]9(\C(/CC7(\N1C(/CC6(/[C@](C)(CCC(=O)[O-])C(/CC(=O)[O-])=C([C@@]234)/[N+]\5=6))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=7))=C(CCC(=O)[O-])/[C@](C)(CC(=O)[O-])C(\C=8)=9))))))
CPD-9042	CC1(C49([C@@](C)(CC(=O)O1)[C@@H](C7(\N([Co-2]25([N+]8(\C(/C[C@]3(C)(N2C(/C(\CCC(=O)[O-])=C(CC(=O)[O-])\3)=C/C6(/[C@](C)(CCC(=O)[O-])C(/CC(=O)[O-])=C4/[N+]\5=6)))=C(CCC(=O)[O-])/[C@](C)(CC(=O)[O-])C(\C=7)=8)))9))CCC(=O)[O-]))
CPD-9047	C[C@@]6(C5(\C=C8(C(/CCC(=O)[O-])=C(CC([O-])=O)/[C@@]7(CC2(\[N+]3(\[Co-2]4(N1(C([C@]([C@@H](C/1=C\C(\[C@](C(/CCC(=O)[O-])=2)(CC(=O)[O-])C)=3)CCC([O-])=O)(CC(=O)[O-])C)C(\[N+]/4=5)=C(CC(=O)[O-])\6))(N78))))C)))CCC(=O)[O-]
CPD-9043	C[C@@]8(CCC([O-])=O)(C(/CC([O-])=O)=C2([C@@]1(C)([C@@](C)(CC([O-])=O)[C@H](CCC(=O)[O-])C6(\N1[Co-2]35([N+]/2=C(CC4(/C(\CCC([O-])=O)=C(CC(=O)[O-])\[C@@](C)([N+]\3=4)CC7(\[N+]/5=C(\C=6)/[C@@](C)(CC([O-])=O)C(/CCC([O-])=O)=7)))/8)))))
CPD-9044	C[C@@]7(CCC([O-])=O)([C@@H](CC([O-])=O)[C@H]3([N+]8(/[Co-2]25(N1(C(/C(\CCC([O-])=O)=C(CC(=O)[O-])\C(C)1CC6(\[N+]/2=C(\C=C4([C@H]([C@]([C@@]3(C)N45)(C)CC([O-])=O)CCC(=O)[O-]))/[C@@](C)(CC([O-])=O)C(/CCC([O-])=O)=6))=C/C\7=8)))))
CPD-9048	CC1(C8(/[C@]([C@H]([C@@H]7([C@@]4(N5([Co-2]3([N+]6(\C(/CC2(C(/C)=C(CCC(=O)[O-])/C/1=[N+]2/3)C)=C(CCC(=O)[O-])/[C@@](C(\C=C([C@@H](CCC([O-])=O)[C@@](CC(=O)[O-])(C)4)/5)=6)(CC(=O)[O-])C))[N+]/7=8))C))CC(=O)[O-])(C)CCC(=O)[O-]))
CPD-9045	CC1(C8(/C(\CCC([O-])=O)=C(C)\[C@@]5(C)([N+](/[Co-2]46([N+]2(\[C@@H]([C@@H]([C@](CCC([O-])=O)(C)C/1=2)CC([O-])=O)[C@@]3(C)([C@@](C)(CC([O-])=O)[C@H](CCC(=O)[O-])C(\[NH+]34)=C(C)\C7([C@@](C)(CC([O-])=O)C(/CCC([O-])=O)=C(C5)/[N+]6=7)))))=8)))
COBALT-SIROHYDROCHLORIN	C[C@@]1(CC(=O)[O-])(C4(\N2(C(/[C@@H](CCC(=O)[O-])1)=C/C8(/C(\CC(=O)[O-])=C(CCC(=O)[O-])\C3(\[N+](\[Co-2]62(N7(C(/C=3)=C(CCC(=O)[O-])/C(\CC(=O)[O-])=C(\C=C5([C@@](C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(\C=4)=[N+]56))\7)))=8)))))
CPD-9049	CC7(\C8(/[C@H]([C@](C1(\[N+](\[Co-2]25([N+]4(/[C@@]([C@]([C@@H](C(\C(/C)=C3([C@]([C@H](CCC(=O)[O-])C(\C=1)=[N+]23)(CC(=O)[O-])C))=4)CCC([O-])=O)(CC(=O)[O-])C)(C)[C@H]6(N5C(/[C@]([C@H]6CC(=O)[O-])(C)CCC(=O)[O-])=7))))=8))(C)C)CCC(=O)[O-]))
CO-A	CC(C)(COP([O-])(=O)OP([O-])(=O)OC[C@H]1(O[C@H]([C@H](O)[C@H](OP(=O)([O-])[O-])1)N2(\C=N/C3(C(/N)=N\C=N/C2=3))))[C@@H](O)C(=O)NCCC(=O)NCCS
CONIFERYL-ALDEHYDE	COC1(\C(\O)=C/C=C(/C=C/C=O)/C=1)
CONIFERYL-ALCOHOL	COC1(\C(\O)=C/C=C(/C=C/CO)/C=1)
CUSO4	
COPROPORPHYRINOGEN_I	CC2(\C(/CCC([O-])=O)=C1(CC5(\NC(/CC4(\NC(/CC3(\NC(/CC(\N1)=2)=C(CCC([O-])=O)/C(\C)=3))=C(CCC([O-])=O)/C(\C)=4))=C(CCC([O-])=O)/C(\C)=5)))
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)))
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)
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-8964	CCOP(OC1(\C=C/C2(/C(\C)=C(C(OC(/C=1)=2)=O)/Cl)))(OCC)=S
CPD-7418	C(\C=C/C1(\C=C/C=C\C(O)=1))(=O)[O-]
CR+3	[Cr+3]
CR+6	[Cr+6]
CREATINE	C(C(=O)[O-])N(C)C(N)=[NH2+]
CREATININE	CN1(CC(=O)NC1=N)
CROTONYL-COA	C/C=C/C(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=C/N=C(C(\N=C/2)=3)/N))))[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=C/C(/N)=N\C(=O)2))
CU+2	[Cu+2]
CPD-6602	COC2(/C=C(/C=C/C(/O)=C/C(/C=C/C1(/C=C(C(/O)=C\C=1)/OC))=O)\C=C/C(/O)=2)
CPD-69	C([O-])#N
CPD-13584	[C-]#N
CYANURIC-ACID	C1(O)(=NC(/O)=N\C(\O)=N/1)
CPD-683	C3(\C=C/N([C@@H]1(O[C@H]2([C@H]([C@H]1O)OP([O-])(OC2)=O)))C(/N=3)=O)N
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=C/2)=3)))O4))[C@@H](O)[C@H](N5(C6(\N=C(N)/NC(=O)C(\N=C/5)=6)))O7))
PRECURSOR-Z	C1(OP([O-])(=O)OC2(C1O[C@@H]3([C@H](C(=O)2)NC4(\C(=O)NC(/N)=N/C(\N3)=4))))
CAMP	C3(OP(=O)([O-])O[C@H]4([C@@H](O)[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O[C@H]34))
CYTIDINE	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)O))O
CPD-3713	C([C@@H]2([C@@H]3([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)OP(=O)([O-])O3)))O
CPD-3710	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)OP([O-])([O-])=O)O))O
CPD-3711	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)OP([O-])([O-])=O))O
CPD0-1882	C([C@@H]2([C@H]([C@H]([C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O)O))OP([O-])(=O)OP([O-])(=O)OC[C@H]4(O[C@H]3(NC6(/N=C(N)\NC(=O)C(/N[C@H]3C5(\S[Mo](=O)(=O)SC\4=5))=6)))
CYTOSINE	C1(\NC(=O)/N=C(\C=1)/N)
CPD-19203	C(O)[C@H](NC(=O)[C@H]([NH3+])C1(\C=C/C(/O)=C\C=1))C(=O)N[C@H](C([O-])=O)C2(\C=C/C(/O)=C\C=2)
D-ALANINE	C[C@@H]([NH3+])C([O-])=O
D-ALA-D-ALA	C[C@@H]([NH3+])C(=O)N[C@H](C)C([O-])=O
D-ALTRONATE	C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
CPD-355	C(O)[C@@H](O)[C@@H](O)[C@H](O)CO
CPD-18118	C(OP([O-])(=O)[O-])[C@@H]1([C@@H](O)[C@H](O)C(O)O1)
CPD-356	C(O)[C@H]1(OC(=O)[C@@H](O)[C@H](O)1)
CPD-220	C(NC(N)=[NH2+])CC[C@@H]([NH3+])C(=O)[O-]
CPD-3633	C(C[C@H](C(=O)[O-])[NH3+])(N)=O
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P	C1(\N\C=N/C(\[C@@H]([C@H](O)COP(=O)([O-])[O-])O)=1)
DIHYDRO-NEO-PTERIN	C1(NC2(/N=C(N)\NC(=O)C(/N=C1/[C@H](O)[C@H](O)CO)=2))
ERYTHROSE	C(=O)[C@H](O)[C@H](O)CO
ERYTHROSE-4P	C([C@@H]([C@@H](COP([O-])([O-])=O)O)O)=O
PHOTINUS-LUCIFERIN	C3(SC(/C1(/SC2(/C=C(\C=C/C(/N=1)=2)/O)))=N/[C@@H](C(=O)[O-])3)
CPD-20211	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@H]3(CSC(/C1(/SC2(\C(\N=1)=C/C=C(/C=2)/O)))=N/3))COP(=O)(OP(=O)(OC[C@@H]4([C@@H](OP([O-])(=O)[O-])[C@@H](O)[C@@H](O4)N5(C6(\N=C/N=C(C(\N=C/5)=6)/N))))[O-])[O-]
CPD-16522	C(=O)([O-])C(O)[C@H]1([C@H](O)[C@@H](O)C(=O)O1)
CPD-17138	C([C@@H]1([C@@H]([C@@H]([C@H](C(O1)=O)O)O)O))([O-])=O
D-GLUCARATE	C(=O)([C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)[O-])[O-]
CPD-17141	C(=O)([O-])C(O)[C@@H]1([C@H](O)[C@@H](O)C(=O)O1)
CPD-12595	C([C@@H]1([C@H]([C@@H]([C@H](C(O1)=O)O)O)O))([O-])=O
GLUCONATE	C(O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-]
CPD-2961	C([C@H]([C@H]([C@@H]([C@H](C([O-])=O)O)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)
D-GLT	C(CC[C@H](C(=O)[O-])[NH3+])([O-])=O
GLUTAMIDE	C(=O)(N)CC[C@@H]([NH3+])C([O-])=O
GLYCERALD	C(=O)[C@H](O)CO
GAP	C(=O)[C@H](O)COP(=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-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-HEXOSE-6-PHOSPHATE	C(OP(=O)([O-])[O-])C1(OC(O)C(O)C(O)C(O)1)
CPD-12151	C1(\N\C=N/C(\C[C@H](C(=O)[O-])[NH3+])=1)
CPD-12150	CC(C)C[C@@H]([NH3+])C(=O)[O-]
CPD-219	C([NH3+])CCC[C@@H]([NH3+])C([O-])=O
MANNITOL-1P	C([C@H]([C@H]([C@@H]([C@@H](COP([O-])([O-])=O)O)O)O)O)O
CPD-218	CSCC[C@@H]([NH3+])C([O-])=O
CPD-534	[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)
D-PROLINE	C1([NH2+][C@H](CC1)C(=O)[O-])
CPD-17175	C1(CC[C@@H]([N+](C)(C)1)C([O-])=O)
CPD-21256	C[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
RIBULOSE-5P	C([C@H]([C@H](C(CO)=O)O)O)OP([O-])([O-])=O
D-RIBULOSE-15-P2	C(OP([O-])([O-])=O)[C@@H](O)[C@@H](O)C(=O)COP(=O)([O-])[O-]
CPD-21527	C(O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(COP([O-])(=O)[O-])=O
D-SERINE	C(O)[C@@H]([NH3+])C(=O)[O-]
D-TAGATURONATE	C(O)C(=O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
CPD-11770	C1(NC2(/N=C(N)\NC(=O)C(/N=C1/[C@H](O)[C@@H](O)CO)=2))
THREO-DS-ISO-CITRATE	C(=O)([C@@H](CC([O-])=O)[C@@H](O)C([O-])=O)[O-]
XYLULOSE-5-PHOSPHATE	C(OP([O-])(=O)[O-])[C@@H](O)[C@H](O)C(=O)CO
DADP	C([C@@H]3([C@H](C[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O))OP(OP([O-])([O-])=O)([O-])=O
DAMP	C([C@@H]3([C@H](C[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O))OP([O-])([O-])=O
DATP	C([C@@H]3([C@H](C[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=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=C/1)/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=C/1)/N)=O))O2)O))OP([O-])([O-])=O
DCTP	C([C@@H]2([C@H](C[C@H](N1(C(/N=C(\C=C/1)/N)=O))O2)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O
CPD-18990	CCCCCCCCC(=O)C
CPD-22639	CCCCCCCC(=O)CC
CPD-22637	CCCCCCC(=O)CCC
CPD-3617	CCCCCCCCCC(=O)[O-]
CPD-10267	CCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[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]([NH3+])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]([NH3+])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-805	CCNC1(\N=C(\N=C(N)/N=1)\Cl)
CPD-21440	C(#N)\C=C1(C2(/C=C\C=C/C(/N=C\1)=2))
CPD-12119	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/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12120	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/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12121	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/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12122	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/CCC(\C)=C/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12116	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12117	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(/C=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12115	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(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12118	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(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
DEOXYAMIDINOPROCLAVAMINATE	C(CC[C@@H](C(=O)[O-])N1(CCC(=O)1))NC(N)=[NH2+]
DETHIOBIOTIN	CC1(NC(=O)NC1CCCCCC(=O)[O-])
DGDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=3)))
DGMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=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=N/C3(C(=O)NC(/N)=N/C2=3)))
CPD-8120	CCCCC\C=C/C\C=C/C\C=C/CCCCCCC(=O)[O-]
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-]
TRANS-CIS-UNDECAPRENYL-GROUP	C\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C
CPD-9646	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-]
CPD-15999	C1(=O)(NC(=O)[C@H](O)C(=O)N1)
CPD-8965	CCOP(OC1(\C=C(C)/N=C(C(C)C)\N=1))(OCC)=S
DICOUMAROL	C3(\C=C/C4(/OC(C(\CC1(/C(OC2(\C(C(/O)=1)=C\C=C/C=2))=O))=C(C(/C=3)=4)/O)=O))
CPD0-2231	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
DIETHYLDITHIOCARBAMATE	CCN(CC)C(=S)[S-]
DIETHYLPHOSPHATE	CCOP(=O)([O-])OCC
DIETHYLTHIOPHOSPHATE	CCOP(=S)([O-])OCC
CPD-14407	CCCCC\C=C/C\C=C/C\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
DIHYDROCLAVAMINATE	C([NH3+])C[C@H]2(O[C@@H]1(N(C(=O)C1)[C@H](C([O-])=O)2))
CPD-13314	COC2(\C(\O)=C/C=C(/C=C/C(/O)=C/C(CCC1(\C=C/C(/O)=C(\C=1)/OC))=O)/C=2)
DIHYDROLIPOAMIDE	C(CCC(N)=O)C[C@@H](S)CCS
CPD-22535	C2(\N=C1(C(NC(CCC(N)=O)=O)CC5(/C=C(C(/O)=C\C(\N1[C@@H](C2)C(=O)NC(CC([O-])=O)C(=O)NC(C(=O)NC(C4(\NC(C(=O)NCC(NC(C(NC3(CCCN(O)C(=O)3))=O)CO)=O)CC\[NH+]=4))C(O)C([O-])=O)CCC[NH3+])=5)/O)))
CPD-7670	CSC
CPD-10437	CS(=O)(=O)C
DMSO	CS(=O)C
DIMETHYLAMINE	C[NH2+]C
CPD-8974	COP([O-])(=S)OC
DIMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
CPD-8268	CCCCCCCC\C=C/CCCCCCCC(OC[C@@H](OC(=O)CCCCCCC\C=C/CCCCCCCC)COP([O-])(=O)[O-])=O
CPD0-1422	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])[O-])OC(CCCCCCCCCCCCCCC)=O
PPI	O=P(O)(OP([O-])([O-])=O)[O-]
CPD-22351	CCCSP(SCCC)(=O)[O-]
DITP	C(OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
CPD-7695	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(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[NH3+])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-15797	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-])=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-12304	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](CCCC[NH3+])C(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[NH3+])=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-12307	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(=O)C[C@@H]([NH3+])C(N)=O)C(N[C@@H](C)C(=O)[O-])=O)C(=O)N)[C@@H](NC(C)=O)2)
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]([NH3+])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
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]([NH3+])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)
CPD-8534	
DOLICHOL-GROUP	CC[C@@H](C)CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CC/C=C(C)/CCC=C(C)C
DOPAMINE	C(CC1(\C=C(C(/O)=C\C=1)\O))[NH3+]
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))
DTDP-GROUP	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))
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-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-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))
TMP	CC1(\C(=O)NC(=O)N(\C=1)[C@H]2(C[C@H](O)[C@@H](COP(=O)([O-])[O-])O2))
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))
DUDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
DUMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H](C[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
DUTP	C([C@@H]2([C@H](C[C@H](N1(C(NC(\C=C/1)=O)=O))O2)O))OP(OP(OP(=O)([O-])[O-])([O-])=O)([O-])=O
ECTOINE	CC1(\NCC[C@@H](C([O-])=O)\[NH+]=1)
EDTA	C(C[NH+](CC([O-])=O)CC([O-])=O)[NH+](CC([O-])=O)CC([O-])=O
ENTEROBACTIN	C2([C@H](NC(=O)C1(\C(\O)=C(\C=C/C=1)\O))C(OC[C@@H](C(OC[C@@H](C(=O)O2)NC(=O)C3(\C(\O)=C(\C=C/C=3)\O))=O)NC(=O)C4(/C=C\C=C(C(\O)=4)\O))=O)
CPD-10467	CCS
ETOH	CCO
ETHANOL-AMINE	C(CO)[NH3+]
CPD0-1938	CC[N+]2(C4(/C=C(\C=C/C(/C3(C(/C(C1(\C=C/C=C\C=1))=2)=C\C(\N)=C/C=3))=4)/N))
CPD-22347	CCCSP(SCCC)(=O)OCC
CPD-22350	CCOP(NC(C)C)([O-])=O
CPD-22379	CCCCCCCC(=O)OCC
ETHANAMINE	CC[NH3+]
GLYCOL	C(CO)O
CPD-8978	CCOP([O-])(=O)[O-]
FAD	CC6(\C=C5(C(/N(C[C@@H]([C@H](O)[C@H](O)COP(OP([O-])(OC[C@@H]3([C@@H](O)[C@@H](O)[C@H](N1(\C=N/C2(C(/N)=N\C=N/C1=2)))O3))=O)([O-])=O)O)C4(\C(\C(=O)[N-]C(=O)/N=4)=N/5))=C\C(/C)=6))
FADH2	CC6(\C=C1(C(/N(C2(/NC(NC(=O)C(\N1)=2)=O))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=N/C4(C(/N)=N\C=N/C3=4)))O5))=O)([O-])=O)=C\C(/C)=6))
FE+2	[Fe+2]
FE+3	[Fe+3]
CPD-21113	CC(CCO)(C)SC[C@H]([NH3+])C([O-])=O
CPD-22348	CCOP(NC(C)C)(OC1(\C=C(C)/C(/SC)=C\C=1))=O
CPD-21168	C2(Cl)(\N=C(C1(\C=C/C=C\C=1))/N=C(/C=2)/Cl)
CPD-13734	C=CC4(\C6(/C=C8(C(/C)=C(CCC(=O)[O-])/C1(/N([Fe-2]35([N+]2(\C(/C(/C=O)=C(CCC(=O)[O-])\C(/C=1)=2)=C/C7(/N3C(\C=C(C(/C)=4)/[N+]\5=6)=C(C(/C)=7)/[C@@H](O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C))))8))))
CPD-19775	C=CC4(\C6(/C=C8(C(/C)=C(CCC(=O)[O-])/C1(/N([Fe-2]35([N+]2(\C(/C(/CO)=C(CCC(=O)[O-])\C(/C=1)=2)=C/C7(/N3C(\C=C(C(/C)=4)/[N+]\5=6)=C(C(/C)=7)/[C@@H](O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C))))8))))
CPD-17063	C=CC3(\C7(\[N+]4(\[Fe-2]16([N+]5(\C(/C(\CCC(=O)[O-])=C(C)\C(/C=C2(C(\C)=C(C(\N12)=C\C(\C(/C)=3)=4)/[C@@H](O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C))=5)=C/C8(/N6C(/C=7)=C(C)/C(\CCC(=O)[O-])=8))))))
FERULIC-ACID	COC1(\C(\O)=C/C=C(/C=C/C([O-])=O)/C=1)
F-	[F-]
FMN	CC2(\C(/C)=C/C3(/N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-])C1(\C(\C(=O)[N-]C(=O)/N=1)=N/C(\C=2)=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)))
CPD-12826	C(NC1(\C=C/C(/C(=O)N[C@H](C(=O)[O-])CCC([O-])=O)=C\C=1))C2(\C=N/C3(\N=C(N)/NC(=O)C(\N=2)=3))
FORMALDEHYDE	C=O
FORMAMIDE	C(N)=O
FORMATE	C([O-])=O
CPD0-441	C(N(O)C=O)CCP([O-])(O)=O
FUM	C(/C([O-])=O)=C\C(=O)[O-]
D-GALACTARATE	C(=O)([O-])[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
GALACTITOL	C([C@@H]([C@H]([C@H]([C@H](O)CO)O)O)O)O
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)
CPD0-936	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]8([C@H]([C@@H](O[C@H](CO[C@@]7(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]5(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@@H]4(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]3(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](O)3))[C@H](O)4))[C@H](O)5))[C@H](O[C@]6(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C6)C(=O)[O-])C7))[C@H]8OP([O-])([O-])=O)OC[C@@H]9([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)O9))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD-183	C([O-])(=O)C1(\C=C(C(\O)=C(/C=1)\O)\O)
CPD-13498	C(S)[C@@H](C(NCCC(=O)[O-])=O)NC(=O)CC[C@@H](C([O-])=O)NC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C([O-])=O
GAMMA-GLUTAMYL-PUTRESCINE	C([NH3+])CCCNC(=O)CC[C@H]([NH3+])C(=O)[O-]
CPD-9385	C1(/C=C(\C=C/C(/NC(CC[C@H]([NH3+])C([O-])=O)=O)=1)/[N+]([O-])=O)
L-GLUTAMATE-5-P	C(CC[C@@H](C(=O)[O-])[NH3+])(OP([O-])(=O)[O-])=O
CPD-22077	CC[C@@H](C([O-])=O)NC(CC[C@@H](C(=O)[O-])[NH3+])=O
CPD-407	C[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
CPD-19395	C(NC(CC[C@@H](C(=O)[O-])[NH3+])=O)C(NCC(=O)[O-])=O
L-GAMMA-GLUTAMYLCYSTEINE	C(S)[C@@H](C([O-])=O)NC(=O)CC[C@H]([NH3+])C([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=N/C3(C(=O)NC(/N)=N/C2=3)))
GDP-GROUP	C(OP(=O)([O-])OP(O)([O-])=O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=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=N/C3(C(=O)NC(/N)=N/C2=3))))[C@@H](O)[C@@H](O)C(=O)4)
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=N/C4(C(=O)NC(/N)=N/C3=4)))
CPD-1828	C(OP(=O)([O-])OP(=O)([O-])O[C@H]1(O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H](O)1))[C@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(\C=N/C4(C(=O)NC(/N)=N/C3=4)))
CPD-633	C(=O)([O-])C1(/C=C(\C=C/C(/O)=1)/O)
GERANYL-PP	CC(C)=CCCC(\C)=C/COP([O-])(OP(=O)([O-])[O-])=O
CPD0-1080	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([NH3+])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)[C@H](O)[C@@H](NC(C)=O)1))[C@H]3(CO[C@@H]([C@H](NC(=O)C)2)O3))
CPD0-1096	C(OP([O-])(=O)[O-])[C@H]1(O[C@@H](OP([O-])(=O)[O-])[C@H]([NH3+])[C@@H](O)[C@H](O)1)
CPD0-932	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]6([C@H]([C@@H](O[C@H](CO[C@@]5(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]3(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O[C@@H]2(O[C@H]([C@@H](CO)O)[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)3))[C@H](O[C@]4(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C4)C(=O)[O-])C5))[C@H]6OP([O-])([O-])=O)OC[C@@H]7([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)O7))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD0-933	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]6([C@H]([C@@H](O[C@H](CO[C@@]5(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]3(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@@H]2(O[C@H]([C@@H](CO)O)[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)3))[C@H](O[C@]4(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C4)C(=O)[O-])C5))[C@H]6OP([O-])([O-])=O)OC[C@@H]7([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)O7))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD0-935	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]7([C@H]([C@@H](O[C@H](CO[C@@]6(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]4(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@@H]3(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]2(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)2))[C@H](O)3))[C@H](O)4))[C@H](O[C@]5(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C5)C(=O)[O-])C6))[C@H]7OP([O-])([O-])=O)OC[C@@H]8([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)O8))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD0-934	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]7([C@H]([C@@H](O[C@H](CO[C@@]6(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]4(O[C@H]([C@@H](O)CO)[C@@H](OP([O-])([O-])=O)[C@H](O[C@@H]3(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](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))[C@H](O[C@]5(O[C@H]([C@@H](CO)O)[C@H](O)[C@H](O)C5)C(=O)[O-])C6))[C@H]7OP([O-])([O-])=O)OC[C@@H]8([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)O8))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD-13949	C[C@H]5(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]4(O[C@H](C)C[C@@H]([C@@H](OC3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)3))4)[NH+](C)C))5)
GLUTARATE	C(CC([O-])=O)CC(=O)[O-]
CPD-280	C(CCCC(=O)[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
GLUTATHIONE	C(S)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
OXIDIZED-GLUTATHIONE	C(SSC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-13909	C(S[SeH])[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
GLYCEROL	C(C(O)CO)O
CPD-536	C(C(CO)OP([O-])([O-])=O)O
DIHYDROXY-ACETONE-PHOSPHATE	C(C(=O)CO)OP([O-])([O-])=O
GLYCEROPHOSPHOGLYCEROL	C(C(COP(OCC(CO)O)([O-])=O)O)O
CPD0-2030	C(O)[C@@H](O)COP(OC[C@H]([NH3+])C(=O)[O-])([O-])=O
GLY	C([NH3+])C([O-])=O
BETAINE	C[N+](C)(CC([O-])=O)C
GLYCO-CT-ACETYL	
GLYCO-CT-AMINO	
GLYCO-CT-METHYL	
GLYCO-CT-N-ACETYL	
GLYCO-CT-N-GLYCOLYL	
GLYCO-CT-N-SULFATE	
GLYCO-CT-PHOSPHATE	
GLYCO-CT-PYR	
GLYCO-CT-SULFATE	
GLYCOLALDEHYDE	C(O)C=O
CPD-14534	C(C(=O)N)O
GLYCOLLATE	C(C(=O)[O-])O
GLYCYLGLYCINE	C([NH3+])C(=O)NCC([O-])=O
GLYOX	C(C(=O)[O-])=O
CPD0-1308	C(NCC(=O)[O-])P(O)([O-])=O
GMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=3)))
GMP-LYSINE-PHOSPHORAMIDATE	CC(=O)N[C@H](C(=O)OC)CCCCNP(=O)([O-])OC[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=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=N/C3(C(=O)NC(/N)=N/C2=3)))
GUANINE	C1(\NC2(/N=C(N)\NC(=O)C(/N=1)=2))
GUANOSINE	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=3)))
CPD-3709	C(O)[C@H]2(O[C@H]([C@@H]1(OP([O-])(=O)O[C@@H]12))N3(\C=N/C4(C(=O)NC(/N)=N/C3=4)))
CPD-13025	C(O)[C@H]1(O[C@H]([C@H](OP([O-])(=O)[O-])[C@H](O)1)N2(\C=N/C3(C(=O)NC(/N)=N/C2=3)))
CPD-3708	C1(\N(C2(\N=C(N)/NC(=O)C(\N=1)=2))[C@@H]3(O[C@H](CO)[C@@H](OP([O-])(=O)[O-])[C@@H](O)3))
CPD-582	C(OP(=O)([O-])OP(=O)([O-])OC[C@H]2(O[C@H]1(NC4(/N=C(N)\NC(=O)C(/N[C@H]1C3(\S[Mo](=O)(=O)SC\2=3))=4))))[C@H]5(O[C@H]([C@H](O)[C@H](O)5)N6(\C=N/C7(C(=O)NC(/N)=N/C6=7)))
PROTON	[H+]
HYDROGEN-MOLECULE	[H]
WATER	O
CPD-10781	C[C@@H](O)CC(=O)N[C@H]1(CCOC(=O)1)
CPD-11678	C=CC1(\C4(\N2([Fe+3](Cl)N6(C(/C=C3(C(/CCC(=O)[O-])=C(C)/C(\C=C(C(/C)=1)/2)=N3))=C(CCC(=O)[O-])/C(\C)=C(\C=C5(C(/C=C)=C(C)/C(\C=4)=N5))\6))))
CPD-14432	CCCCCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD0-929	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]4([C@H]([C@@H](O[C@H](CO[C@@]3(C(=O)[O-])(O[C@H]([C@H](O)CO)[C@H](O[C@H]1(O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@H](O)1))[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]4OP([O-])([O-])=O)OC[C@@H]5([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)O5))NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
CPD-22641	CCCCCCCOC(=O)CC
CPD-14772	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
HEXANOATE	CCCCCC([O-])=O
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-22638	CCCCCCOC(=O)CCC
HG0	[Hg]
HG+2	[Hg+2]
HISTIDINAL	C1(\N\C=N/C(\C[C@@H](C=O)[NH3+])=1)
HISTIDINOL	C1(\N\C=N/C(\C[C@@H](CO)[NH3+])=1)
HOMOGENTISATE	C1(\C(\O)=C/C(\CC([O-])=O)=C(\C=1)/O)
HX	[XH]
HYDANTOIN	C1(NC(CN1)=O)=O
HYDRAZINE	NN
HCN	C#N
HYDROGEN-PEROXIDE	OO
CPD-678	[SeH2]
HS	S
HCO3	C([O-])(=O)O
CPD-687	CC5(\C1(/[C@H]([C@@](C(\N=1)=C\C2([C@@H](CCC(=O)[O-])[C@@](C(\N=2)=C(C)\C3(/[C@@H](CCC([O-])=O)[C@@](CC(=O)[O-])(C)[C@](/N=3)(C)[C@@H]4([NH2+]C(/[C@]([C@H]4CC(=O)[O-])(C)CCC(=O)[O-])=5)))(CC(=O)[O-])C))(C)C)CCC(=O)[O-]))
CPD-688	CC5(\C1(/[C@H]([C@@](C(\N=1)=C\C2([C@@H](CCC(=O)[O-])[C@@](C(\N=2)=C(C)\C3(/[C@@H](CCC([O-])=O)[C@@](CC(=O)N)(C)[C@](/N=3)(C)[C@@H]4([NH2+]C(/[C@]([C@H]4CC(=O)[O-])(C)CCC(=O)[O-])=5)))(CC(=O)N)C))(C)C)CCC(=O)[O-]))
HYDROQUINONE	C1(\C(\O)=C/C=C(\C=1)/O)
HYDROXYATRAZINE	CCNC1(\N=C(\N=C(NC(C)C)/N=1)\O)
CPD-19776	C=CC4(\C6(/C=C8(C(/C)=C(CCC(=O)[O-])/C1(/N([Fe-2]35([N+]2(\C(/C(/C(O)O)=C(CCC(=O)[O-])\C(/C=1)=2)=C/C7(/N3C(\C=C(C(/C)=4)/[N+]\5=6)=C(C(/C)=7)/[C@@H](O)CC/C=C(C)/CC/C=C(C)/CCC=C(C)C))))8))))
CPD-12377	O
HYDROXYLAMINE	NO
OH-PYR	C(C(=O)C([O-])=O)O
CPD-9699	C=C1(C(CC([NH3+])C([O-])=O)C1)
CPD-9700	C=C1(C(C[C@@H](C(=O)[O-])NC(CC[C@H]([NH3+])C([O-])=O)=O)C1)
HYPOXANTHINE	C1(\NC2(C(=O)N\C=N/C(\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=N/C3(C(=O)N\C=N/C2=3)))
IMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
CPDQT-434	C(NC(SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)=S)C1(\C2(/C=C\C=C/C(/N/C=1)=2))
INDOLE	C1(\C=C/C2(N\C=C/C(\C=1)=2))
INDOLE-3-GLYCOL	C1(/NC2(/C=C\C=C/C(/C(/C(O)CO)=1)=2))
3-INDOLYLGLYCOLALDEHYDE	C1(/NC2(/C=C\C=C/C(/C(/C(O)C=O)=1)=2))
CPDQT-429	C(C1(\C2(/C=C\C=C/C(/N/C=1)=2)))N=C=S
INOSINE	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
IODOACETATE	C(I)C(=O)[O-]
FERRIC-CITRATE-COMPLEX	C1(C(O[Fe]234(OC(C(O)1CC(O2)[O-])[O-])(OC(C(O)(CC(O3)[O-])CC(O4)[O-])[O-]))[O-])
CPD-19721	C=CC7(\C5(\N([Fe]24([N+]1(/C(\C(/C)=C(C=C)/C(/O)=1)=C\C3(\C(/C)=C(CCC(=O)[O-])/C(/[N+]\2=3)=C/C6(/N4C(/C=5)=C(C)/C(\CCC(=O)[O-])=6)))))C(C(/C)=7)=O))
CPD-3745	C(CO)S(=O)(=O)[O-]
CPD-7000	CC(C)C=O
ISOBUTYRATE	CC(C)C([O-])=O
ISOBUTANOL	CC(C)CO
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])C
ISOCHORISMATE	C=C(C(=O)[O-])O[C@H]1(\C=C/C=C([C@@H]1O)/C([O-])=O)
CPD0-2461	C1(\NC2(NC(/N=C(C(\N=1)=2)/N)=O))
DELTA3-ISOPENTENYL-PP	C=C(C)CCOP([O-])(=O)OP([O-])(=O)[O-]
ISOPROPYLAMINE	CC([NH3+])C
ISOQUINOLIN-12H-ONE	C1(\NC(=O)C2(\C=C/C=C\C(\C=1)=2))
ISOQUINOLINE	C1(\N=C/C2(\C=C/C=C\C(\C=1)=2))
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])C
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=N/C3(C(=O)N\C=N/C2=3)))
K+	[K+]
KDO2-PALMITOLEOYL-LIPID-IVA	CCCCCC\C=C/CCCCCCCC(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
CPD-15382	C(O)C(=O)[C@@H](O)[C@H](O)[C@H](O)CO
LL-DIAMINOPIMELATE	C([C@H](CCC[C@@H](C([O-])=O)[NH3+])[NH3+])([O-])=O
CPD-470	C(C[C@@H](C([O-])=O)[NH3+])[NH3+]
CPD-468	C([O-])(=O)CCC[C@@H](C(=O)[O-])[NH3+]
CPD-19205	C(NC(N)=[NH2+])CC[C@H](NC(=O)[C@@H]([NH3+])C1(\C=C/C(/O)=C\C=1))C(=O)[O-]
CPD-19202	C(NC(N)=[NH2+])CC[C@H](NC(=O)[C@@H]([NH3+])C1(\C=C/C(/O)=C\C=1))C(=O)N[C@@H](C(N[C@@H](CO)C(=O)N[C@H](C([O-])=O)C2(\C=C/C(/O)=C\C=2))=O)C3(\C=C/C(/O)=C\C=3)
L-ALPHA-ALANINE	C[C@H]([NH3+])C([O-])=O
CPD0-1082	C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](C(N[C@H](C)C([O-])=O)=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]
CPD0-1085	C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](C(N[C@H](C)C(N[C@H](C)C([O-])=O)=O)=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]
L-ALA-GAMMA-D-GLU-DAP	C[C@H]([NH3+])C(=O)N[C@H](CCC(=O)N[C@H](C([O-])=O)CCC[C@@H]([NH3+])C(=O)[O-])C(=O)[O-]
L-ALLO-THREONINE	C[C@H](O)[C@H]([NH3+])C(=O)[O-]
ARG	C(NC(N)=[NH2+])CC[C@H]([NH3+])C(=O)[O-]
L-ARGININO-SUCCINATE	C(NC(NC(CC(=O)[O-])C(=O)[O-])=[NH2+])CC[C@@H](C(=O)[O-])[NH3+]
CPD-659	C([C@H](CC1(\C=C/C(\C=C/1)O)C([O-])=O)[NH3+])([O-])=O
ASN	C(C[C@@H](C(=O)[O-])[NH3+])(N)=O
L-ASPARTATE	C(C(=O)[O-])[C@H]([NH3+])C(=O)[O-]
L-ASPARTATE-SEMIALDEHYDE	C(=O)C[C@H]([NH3+])C(=O)[O-]
L-BETA-ASPARTYL-P	C([C@H]([NH3+])C(=O)[O-])C(=O)OP([O-])(=O)[O-]
CANAVANINE	C(C[C@H]([NH3+])C(=O)[O-])ONC(N)=[NH2+]
CARNITINE	C([C@H](O)CC(=O)[O-])[N+](C)(C)C
L-CITRULLINE	C(NC(N)=O)CC[C@H]([NH3+])C(=O)[O-]
L-CYSTATHIONINE	C(SC[C@@H](C([O-])=O)[NH3+])C[C@H]([NH3+])C([O-])=O
L-CYSTEATE	C([C@H]([NH3+])C(=O)[O-])S(=O)(=O)[O-]
CYS	C(S)[C@@H](C(=O)[O-])[NH3+]
CYS-GLY	C(C([O-])=O)NC([C@H](CS)[NH3+])=O
CPD-3740	C([C@@H](C(=O)[O-])[NH3+])SCSC[C@@H](C(=O)[O-])[NH3+]
L-DIHYDROXY-PHENYLALANINE	C([C@H](CC1(\C=C/C(/O)=C(\C=1)/O))[NH3+])(=O)[O-]
CPD-14202	C[C@H](O)[C@H](O)C1(\CNC2(NC(/N)=N/C(C(/N=1)=2)=O))
CPD-33	C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)[O-]
GLT	C(CC[C@@H](C(=O)[O-])[NH3+])([O-])=O
L-GLUTAMATE_GAMMA-SEMIALDEHYDE	C(C[C@H]([NH3+])C([O-])=O)C=O
GLN	C(=O)(N)CC[C@H]([NH3+])C([O-])=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
HIS	C1(\N\C=N/C(\C[C@@H](C(=O)[O-])[NH3+])=1)
L-HISTIDINOL-P	C1(\N\C=N/C(\C[C@@H](COP([O-])(=O)[O-])[NH3+])=1)
HOMO-CYS	C([C@H](CCS)[NH3+])(=O)[O-]
HOMO-SER	C(CO)[C@H]([NH3+])C([O-])=O
CPD-15554	C1(C[C@H]([NH3+])C(=O)O1)
CPD0-1090	C([C@@H]([C@H]([C@@H]([C@H](C([O-])=O)O)O)O)O)([O-])=O
ILE	CC[C@H](C)[C@H]([NH3+])C(=O)[O-]
CPD-14736	C(=O)([O-])[C@@H]([NH3+])CC(=O)C1(/C=C\C=C/C(/N)=1)
LEU	CC(C[C@H]([NH3+])C([O-])=O)C
LYS	C([NH3+])CCC[C@H]([NH3+])C([O-])=O
CPD0-1198	C([O-])(=O)[C@H](O)[C@H](O)[C@@H](O)CO
MET	CSCC[C@H]([NH3+])C([O-])=O
CPD-8990	CS(=O)CC[C@H]([NH3+])C(=O)[O-]
L-ORNITHINE	C(=O)([O-])[C@@H]([NH3+])CCC[NH3+]
PHE	C([O-])(=O)[C@@H]([NH3+])CC1(\C=C/C=C\C=1)
L-PHOSPHINOTHRICIN	CP(CC[C@H]([NH3+])C(=O)[O-])([O-])=O
L-PIPECOLATE	C1(CCC[C@@H](C([O-])=O)[NH2+]1)
PRO	C1([NH2+][C@@H](CC1)C(=O)[O-])
CPD-11621	C(=O)(N)C1([NH2+]CCC1)
CPD-821	C1(CC[C@H]([N+](C)(C)1)C([O-])=O)
QUINATE	C(=O)([O-])[C@@]1(O)(C[C@@H](O)[C@H](O)[C@H](O)C1)
SACCHAROPINE	C(CC[NH2+][C@@H](CCC([O-])=O)C([O-])=O)C[C@H]([NH3+])C([O-])=O
CPD-13717	C([Se]C[C@@H](C([O-])=O)[NH3+])C[C@H]([NH3+])C(=O)[O-]
L-SELENOCYSTEINE	C([SeH])[C@H]([NH3+])C([O-])=O
SELENOMETHIONINE	C[Se]CC[C@@H](C([O-])=O)[NH3+]
SER	C(O)[C@H]([NH3+])C(=O)[O-]
TARTRATE	C([C@@H]([C@H](C([O-])=O)O)O)([O-])=O
CPD-644	C(=O)([O-])[C@H]([C@H](C1(\C=C/C=C\C=1))O)[NH3+]
THR	C[C@@H](O)[C@H]([NH3+])C(=O)[O-]
TRP	C1(\NC2(/C=C\C=C/C(/C(\C[C@H]([NH3+])C(=O)[O-])=1)=2))
TYR	C([C@H](CC1(\C=C/C(/O)=C\C=1))[NH3+])(=O)[O-]
VAL	CC(C)[C@H]([NH3+])C([O-])=O
DODECANOATE	CCCCCCCCCCCC([O-])=O
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
LEUKOTRIENE-C4	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC([O-])=O)NC(CC[C@@H](C(=O)[O-])[NH3+])=O)[C@H](CCCC([O-])=O)O
CPD66-21	CCCCC\C=C/C\C=C/C=C/C=C/[C@@H](SC[C@@H](C(=O)NCC([O-])=O)[NH3+])[C@H](CCCC([O-])=O)O
LINAMARIN	CC(C)(C#N)O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1)
LINOLEIC_ACID	CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O
CPD-18	CCCCC\C=C/C\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-14594	CC(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#N)C
CPD0-1283	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]2([C@H]([C@H](OC[C@H]1(O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H](O)1))O[C@H](CO)[C@H]2OP([O-])(=O)[O-])NC(C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCCCC)=O)
Lipid-A-1-2-aminoethyl-PP	CCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCC)CC(=O)O[C@@H]2([C@H]([C@H](OC[C@H]1(O[C@H](OP(=O)([O-])OP(OCC[NH3+])(=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@H]2OP(=O)([O-])[O-])NC(C[C@H](OC(CCCCCCCCCCC)=O)CCCCCCCCCCC)=O)
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
CPD-22403	CCCCCCCCC[C@H](CC(=O)N[C@H]1([C@@H](O[C@H](CO)[C@H]([C@@H]1OC(=O)C[C@H](O)CCCCCCC)O)OC[C@@H]2([C@@H](O)[C@H](OC(=O)C[C@H](O)CCCCCCC)[C@@H](NC(=O)C[C@H](O)CCCCCCCCC)[C@@H](OP([O-])([O-])=O)O2)))O
CPD-15238	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-])OP(=O)([O-])OCC[NH3+])[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)
CPD-15242	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)OP(OCC[NH3+])([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)
CPD-23878	C[C@H](C(=O)N[C@H](C)C([O-])=O)NC(=O)[C@H](CCC[C@@H]([NH3+])C([O-])=O)NC(=O)CC[C@H](C(=O)[O-])NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]2([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)O[C@@H]([C@H](NC(=O)C)2)OP([O-])(=O)O)
CPD-13350	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]2([C@H](NC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H](OC(C[C@H](O)CCCCCCCCCCC)=O)[C@@H]([C@H](O2)CO)OP([O-])(=O)O[C@H]3(OC[C@H]([NH3+])[C@H](O)[C@@H](O)3)))
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))
CPD-22402	CCCCCCCCC[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)CCCCCCC)1)CO[C@@H]2(O[C@H](CO)[C@H]([C@@H]([C@H]2NC(C[C@H](O)CCCCCCCCC)=O)OC(=O)C[C@H](O)CCCCCCC)OP([O-])([O-])=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
CPD-22404	CCCCCCCCC[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](CCCCCCC)O)=O))=O)O
CPD-10277	CC[C@@](O[C@@H]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](O)1))(C#N)C
MALEAMATE	C(\C(N)=O)=C\C(=O)[O-]
MALEATE	C([O-])(=O)\C=C/C([O-])=O
MALONATE	C(C([O-])=O)C([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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD0-1133	C(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[C@H](CO)2)O[C@H]3([C@H](O)[C@@H](O)[C@H](O[C@H](CO)3)O[C@H]7([C@H](O)[C@@H](O)[C@@H](O[C@H]6([C@H](O)[C@@H](O)[C@@H](O[C@H]4([C@H](O)[C@@H](O)[C@H](O[C@H](CO)4)O[C@H]5([C@H](O)[C@@H](O)C(O)O[C@H](CO)5)))O[C@H](CO)6))O[C@H](CO)7))))
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
MENADIOL	CC2(\C(\O)=C1(\C=C/C=C\C/1=C(\C=2)/O))
CPD-3766	CC1(\C(C2(/C=C\C=C/C(/C(\C=1)=O)=2))=O)
CPD-12127	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/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12128	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/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12129	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/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12130	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/CCC(\C)=C/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12124	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-12125	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(/C(\C)=C(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
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=C\C=2))/O)
CPD-12126	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(C2(/C=C\C=C/C(/C(/O)=1)=2))/O)
CPD-901	CC(=O)O[Hg]C1(\C=C/C=C\C=1)
MESO-DIAMINOPIMELATE	C([C@H](CCC[C@H](C([O-])=O)[NH3+])[NH3+])([O-])=O
CH4	C
CPD-15551	CS(=O)[O-]
CPD-3746	CS(=O)(=O)[O-]
CPD-7671	CS
METOH	CO
CPD-7037	CSCCCO
CPD-10546	COC(=O)CC1(\C2(\C(\N\C=1)=C/C=C\C=2))
CPD-8973	COP(OC1(\C=C/C(/[N+](=O)[O-])=C\C=1))(OC)=S
CPD0-1147	CN(C)C2(\C=C/C(/N=N/C1(\C=C/C=C\C(\C(=O)[O-])=1))=C\C=2)
METHACRYLYL-COA	C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])C
METHYLAMINE	C[NH3+]
METHYLARSONATE	C[As](=O)([O-])O
METHYLARSONITE	C[As](O)O
METHYL-GLYOXAL	CC(C=O)=O
CPD-21193	C[Hg+]
CPD-21194	C(S[Hg]C)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD0-1068	CP([O-])(=O)O
CPD-6442	COC(C1(/C=C\C=C/C(/O)=1))=O
MG-PROTOPORPHYRIN	C=CC3(\C(/C)=C4(\C=C6(C(/C)=C(CCC(=O)[O-])/C(\C=C5(C(/CCC(=O)[O-])=C(C)/C1(/N([Mg]N(C(/C=C2(C(/C)=C(C=C)/C(\C=1)=N2))=3)4)5)))=N6)))
MG+2	[Mg+2]
MN+2	[Mn+2]
MO+2	[Mo+2]
CPD-3	[Mo](=O)(=O)([O-])[O-]
CPD-4	C(OP([O-])(=O)[O-])[C@@H]1(C(\[S-])=C([C@H]2([C@@H](O1)NC3(/N=C(N)\NC(=O)C(/N2)=3)))\S)
CPD-8122	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP(OP([O-])(=O)OC[C@H]5(O[C@H]4(NC6(/N=C(N)\NC(=O)C(/N[C@H]4C(\S)=C5\[S-])=6))))(=O)[O-]
MONOTRANS-CIS-DECAPRENYL-GROUP	C\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC\C=C(C)/CC/C=C(C)/CCC=C(C)C
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-21167	CC1(\C(N2(N(C(/C)=1)C(/CCl)=C(C)/C2=O))=O)
CPD-8123	C(OP([O-])(=O)[O-])[C@@H]1(C4(\S[Mo](=O)(=O)SC(/[C@H]2([C@@H](O1)NC3(/N=C(N)\NC(=O)C(/N2)=3)))=4))
MYO-INOSITOL	[C@H]1([C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)O
CPD-7836	CCCCCCCCCCCCCC([O-])=O
TETRADECANOYL-COA	CCCCCCCCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD1G01-8	CCCCCCCCCCCCCC(NC(=O)CCC(=O)NC(CC1(\C=C/C(/O)=C\C=1))C2(\N[C@@H](CC\[NH+]=2)C(=O)NC(CC([O-])=O)C(=O)NC(C(=O)NC(C4(\NC(C(=O)NCC(NC(C(NC3(CCCN(O)C(=O)3))=O)CO)=O)CC\[NH+]=4))C(O)C([O-])=O)CCC[NH3+]))=O
CPD-13227	CC(=O)N[C@H]1(C(O)O[C@H](CO)[C@H]([C@H](O)1)O[C@H]2([C@H](NC(C)=O)[C@@H](O)[C@@H]([C@@H](CO)O2)O[C@@H]3(O[C@@H]([C@@H](O)[C@H](O)[C@@H](NC(C)=O)3)CO)))
CPD0-1148	CN(C)C1(\C=C/C(/N)=C\C=1)
DIMETHYL-GLYCINE	C[NH+](CC([O-])=O)C
N-5-PHOSPHORIBOSYL-ANTHRANILATE	C(OP(=O)([O-])[O-])[C@H]2(O[C@@H](NC1(/C=C\C=C/C(/C(=O)[O-])=1))[C@H](O)[C@H](O)2)
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)
CPD-13462	CC(=O)N[C@@H]1([C@@H](O)O[C@H](CO)[C@@H](O)[C@H](O)1)
CPD0-1643	C[C@@H](O[C@@H]1([C@@H](NC(=O)C)[C@H](O[C@H](CO)[C@H]1O)OP([O-])(=O)[O-]))C(=O)[O-]
CPD-15184	C[C@@H](C(=O)[O-])NC([C@H](O[C@@H]1([C@@H](NC(=O)C)[C@@H](O)O[C@H](CO)[C@@H](O)1))C)=O
N-ACETYL-D-GLUCOSAMINE	CC(=O)N[C@H]1([C@H](O)O[C@H](CO)[C@@H](O)[C@H](O)1)
CPD0-1081	C[C@H](C(=O)[O-])O[C@@H]2([C@@H](NC(=O)C)[C@@H]1(OC[C@@H](O1)[C@H]2O[C@@H]3(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H](NC(C)=O)3)))
CPD0-1123	CC(=O)N[C@@H]1([C@H](C[C@](C([O-])=O)(O)O[C@H]1[C@H](O)[C@H](O)CO)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)
CPD-370	CC(N[C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C([O-])=O)=O
CPD-13360	C[C@@H](C(N[C@H](CCC(N[C@@H](CCCC(C([O-])=O)[NH3+])C([O-])=O)=O)C([O-])=O)=O)NC(C(C)O[C@@H]1([C@H]([C@@H](O)O[C@H](CO)[C@H]1O[C@H]2([C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)NC(C)=O))NC(C)=O))=O
CPD-13359	C[C@@H](C(N[C@H](CCC(N[C@@H](CCCC(C([O-])=O)[NH3+])C(N[C@H](C)C([O-])=O)=O)=O)C([O-])=O)=O)NC(C(C)O[C@@H]1([C@H]([C@@H](O)O[C@H](CO)[C@H]1O[C@H]2([C@@H]([C@H]([C@@H]([C@@H](CO)O2)O)O)NC(C)=O))NC(C)=O))=O
CPD0-881	C[C@@H](O[C@@H]1([C@H](C(O[C@@H]([C@H]1O)COP([O-])(=O)[O-])O)NC(=O)C))C([O-])=O
CPD-7224	CC(=O)N[C@H](C([O-])=O)CCCNC(=O)N
ACETYL-GLU	CC(=O)N[C@H](C([O-])=O)CCC(=O)[O-]
CPD-469	CC(=O)N[C@H](C([O-])=O)CCC=O
CPD0-2015	CC(=O)N[C@@H](CCSC)C([O-])=O
N-ALPHA-ACETYLORNITHINE	CC(=O)N[C@@H](CCC[NH3+])C(=O)[O-]
N-ACETYL-GLUTAMYL-P	CC(=O)N[C@H](C([O-])=O)CCC(=O)OP([O-])(=O)[O-]
CPD-9999	CC(=O)N[C@H](C(=O)[O-])CCP(C)([O-])=O
CPD-569	CC(=O)NCCCC[NH3+]
CPD0-1442	CC(=O)N[C@H](C(=O)OC)CCCC[NH3+]
CARBAMYUL-L-ASPARTATE	C(=O)([O-])C[C@H](NC(N)=O)C([O-])=O
N-CARBAMOYLGLYCINE	C(NC(=O)N)C(=O)[O-]
CPD-597	C(CCCNC(N)=O)[NH3+]
CPD-807	CCNC1(\N=C(/N=C(\N=1)/O)\O)
CPD-806	CCNC1(\N=C(\N=C(N)/N=1)\O)
CPD-10490	CCNCC(=O)[O-]
N-ETHYLMALEIMIDE	CCN1(C(=O)\C=C/C(=O)1)
CPD0-903	CCN1(C(CCC1=O)=O)
N-FORMIMINO-L-GLUTAMATE	C(N[C@H](C([O-])=O)CCC([O-])=O)=[NH2+]
CPD-600	C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]
N-FORMYLKYNURENINE	C(=O)NC1(/C=C\C=C/C(/C(=O)C[C@H]([NH3+])C(=O)[O-])=1)
CPD-12278	C(\C(=O)NC=O)=C\C(=O)[O-]
N-ISOPROPYLAMMELIDE	CC(NC1(\N=C(/N=C(\N=1)/O)\O))C
CPD-904	C1(CC[C@@H](C([O-])=O)[NH+](C)1)
CPD-19237	CC(=O)NC
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]([NH3+])C(=O)[O-])C[C@H](NC(CCC([O-])=O)=O)C([O-])=O
CPD-13489	C([NH3+])CC[NH2+]CCCCNC(N)=[NH2+]
5-PHOSPHO-RIBOSYL-GLYCINEAMIDE	C([NH3+])C(=O)N[C@H]1([C@H](O)[C@H](O)[C@@H](COP([O-])(=O)[O-])O1)
N1-METHYLADENINE	CN2(\C=N/C1(\C(\N=C/N=1)=C(N)/2))
NITROGEN-MOLECULE	N#N
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)
CPD-421	C(CC[C@H](NC(=O)CCC([O-])=O)C(=O)[O-])NC(N)=[NH2+]
CPD-822	C(CC[C@H](NC(CCC(=O)[O-])=O)C(=O)[O-])=O
N2-SUCCINYLORNITHINE	C(CC[C@@H](C([O-])=O)NC(=O)CCC([O-])=O)[NH3+]
N2-SUCCINYLGLUTAMATE	C(CCC(=O)[O-])(N[C@@H](CCC(=O)[O-])C(=O)[O-])=O
CPD0-181	C(OP([O-])(=O)[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C=C(NC([O-])=O)\2))
CPD-11571	C(CNO)C[C@H]([NH3+])C([O-])=O
CPD-596	CN(C(NCCC[C@H]([NH3+])C(=O)[O-])=[NH2+])C
NA+	[Na+]
NAD	C5(/C(/C(N)=O)=C\C=C/[N+](/[C@@H]4(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(/N)=N\C=N/C2=3))))[C@@H](O)[C@@H](O)4))=5)
NADH	C1(/N(\C=C/CC(/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=N/C4(C(/N)=N\C=N/C3=4))))[C@@H](O)[C@@H](O)5))
NADP	C5(/C=C\C(\C(=O)N)=C/[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=C/N=C(C(\N=C/2)=3)/N)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))=5)
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=C/N=C(C(\N=C/2)=3)/N)))O4)OP([O-])([O-])=O)O))([O-])=O)(=O)[O-]))/C=C(C\C=5)/C(=O)N)
CPD1G01-4	
CPD-14596	CC[C@@](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#N)C
NI+2	[Ni+2]
NIACINAMIDE	C1(\C=C/C(/C(=O)N)=C\N=1)
NIACINE	C1(\N=C/C(/C([O-])=O)=C\C=1)
DEAMIDO-NAD	C5(/C(/C([O-])=O)=C\C=C/[N+](/[C@@H]4(O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(/N)=N\C=N/C2=3))))[C@@H](O)[C@@H](O)4))=5)
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)
NITRATE	N(=O)(=O)[O-]
NITRIC-OXIDE	N=O
NITRITE	N([O-])=O
NITROUS-OXIDE	N#N=O
CPD-7302	CCCCCCCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
CPD0-2056	C[C@@H](C(NCC(=O)[O-])=O)NC(CC[C@@H](C(=O)[O-])[NH3+])=O
NORSPERMIDINE	C(CC[NH2+]CCC[NH3+])[NH3+]
NUKED-PENTOSE-RING	C(C1(C(C(CO1)O)O))O
CPD-667	CC(OCC[C@@H](C([O-])=O)[NH3+])=O
ACETYLSERINE	CC(OC[C@H]([NH3+])C(=O)[O-])=O
O-DGAL-HEX-0:0_1:ALDI	
O-DGLC-HEX-0:0_1:ALDI_6:D	
O-PHENANTHROLINE	C1(\C=C/C2(\C=C/C3(\C=C/C=N\C(C(\N=1)=2)=3)))
O-PHOSPHO-L-HOMOSERINE	C([C@H]([NH3+])C([O-])=O)COP([O-])(=O)[O-]
3-P-SERINE	C(OP([O-])([O-])=O)[C@H]([NH3+])C(=O)[O-]
PHOSPHORYL-ETHANOLAMINE	C(C[NH3+])OP([O-])([O-])=O
O-SUCCINYL-L-HOMOSERINE	C(CC(=O)OCC[C@@H](C([O-])=O)[NH3+])C([O-])=O
O-UREIDOHOMOSERINE	C(C[C@@H](C(=O)[O-])[NH3+])ONC(N)=O
CPD-148	CCCCCCCC
CPD-195	CCCCCCCC(=O)[O-]
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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-58	C(C(C1(\C=C/C(/O)=C\C=1))O)[NH3+]
CPD-22643	CCCCCCCCOC(=O)C
OH	[OH-]
OLEATE-CPD	CCCCCCCC\C=C/CCCCCCCC([O-])=O
OLEOYL-COA	CCCCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-17624	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=C/CCCCCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPD-20340	CC[C@@H](C(NCC(=O)[O-])=O)NC(CC[C@@H](C(=O)[O-])[NH3+])=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))
OXALATE	C([O-])(C(=O)[O-])=O
OXALACETIC_ACID	C(C([O-])=O)C(=O)C([O-])=O
OXALO-SUCCINATE	C(C([O-])=O)C(C(C(=O)[O-])=O)C([O-])=O
OXYGEN-MOLECULE	O=O
CPD-29	C1(=C/C=C(\C=C/1)/C(=O)[O-])[Hg]Cl
CPD-7388	C(C1(\C=C/C(/[Hg])=C\C=1))([O-])=O
ADENOSYL-P4	C([C@@H]1([C@H]([C@H]([C@@H](O1)N2(\C=N/C3(C(/N)=N\C=N/C2=3)))O)O))OP(OP(OP(OP(OC[C@@H]4([C@H]([C@H]([C@@H](O4)N5(\C=N/C6(C(/N)=N\C=N/C5=6)))O)O))([O-])=O)([O-])=O)([O-])=O)([O-])=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)
PALMITATE	CCCCCCCCCCCCCCCC([O-])=O
CPD-9245	CCCCCC\C=C/CCCCCCCC(=O)[O-]
CPD-10269	CCCCCC\C=C/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=C/N=C(C(\N=C/2)=3)/N))))[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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
PARAOXON	CCOP(OC1(\C=C/C(/[N+]([O-])=O)=C\C=1))(OCC)=O
PARATHION	CCOP(OC1(\C=C/C(/[N+](=O)[O-])=C\C=1))(OCC)=S
PB+2	[Pb+2]
PENICILLIN-G	CC3(C)(S[C@H]2(N(C(=O)[C@@H](NC(=O)CC1(\C=C/C=C\C=1))2)[C@@H](C(=O)[O-])3))
VALERATE	CCCCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PENTOSE-RING	C(C1(OC(C(O)C(O)1)O))O
CPD-8477	CCCCCCCCCCC\C=C/CCCCC([O-])=O
PHENANTHRENE-RING	C2(\C=C1(\C=C/C3(\C=C/C=C\C(C1=C\C=2)=3)))
CPD-12873	C3(\C=C2(C(/N=C1(\C=C/C=C\C/1=N\2))=C\C=3))
CPD-12872	C([O-])(=O)C1(\C2(\C(/C=C\C=1)=N/C3(\C(\C(=O)[O-])=C/C=C\C(\N=2)=3)))
CPD-9522	C(C1(\C2(\C(/C=C\C=1)=N/C3(\C=C/C=C\C(\N=2)=3))))(=O)[O-]
PHENOL	C1(\C=C/C(/O)=C\C=1)
CPD-22363	CC(OC1(\C=C/C=C\C=1))=O
CPD-15539	C(OP(=O)([O-])[O-])[C@@H]2([C@H]([C@@H](O)[C@@H](OC1(\C=C/C=C\C=1))O2)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=C/C=C\C=2)))CNC(=O)CC[C@@]3([C@@H](CC(N)=O)[C@@H]4([C@@]5(C)([C@@](C)(CC(N)=O)[C@H](CCC(=O)N)C6(\C(/C)=C9([C@@](CC(=O)N)([C@H](CCC(N)=O)C%10(\C=C7(C(C)(C)[C@H](CCC(N)=O)C8(\C(/C)=C3/N4[Co-2]([N+]\5=6)([N+]\7=8)([N+]9=%10)C[C@@H]%11([C@H]([C@@H](O)[C@@H](O%11)N%12(\C=N/C%13(\C/%12=N/C=N\C(/N)=%13)))O)))))C)))))(C)
PHENYLACETALDEHYDE	C(=O)CC1(\C=C/C=C\C=1)
PHENYLACETATE	C([O-])(=O)CC1(\C=C/C=C\C=1)
CPD-207	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CC1(\C=C/C=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=C/N=C(C(\N=C/3)=4)/N))))[O-])[O-]
CPD1G01-9	C1(\C=C/C(/[As](O)O)=C\C=1)
CPD-22655	C1(\C=C/C(/[As](=O)([O-])O)=C\C=1)
PHENYLGLYOXYLATE	C(=O)(C(C1(\C=C/C=C\C=1))=O)[O-]
Pi	[O-]P(=O)(O)[O-]
CPDQT-520	CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H](COP([O-])(=O)OC[C@@H](O)COP([O-])(=O)[O-])OC(=O)CCCCCCCCCCCCCCC
CPD-12755	O=[P-](O)[O-]
PHOSPHORYL-CHOLINE	C[N+](CCOP([O-])([O-])=O)(C)C
PHOSPHO-ENOL-PYRUVATE	C=C(OP(=O)([O-])[O-])C([O-])=O
PHOSPHONATE	O=P([O-])[O-]
CPD-551	C(CP([O-])(O)=O)=O
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P	C(OP(=O)([O-])[O-])[C@@H](O)[C@@H](O)C(=O)C/N=C/NC1(\N(\C=N/C(\C(=O)N)=1)[C@@H]2(O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@@H](O)2))
PHTHALATE	C(C1(/C=C\C=C/C(/C([O-])=O)=1))([O-])=O
MI-HEXAKISPHOSPHATE	[C@@H]1(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-])[C@@H](OP([O-])([O-])=O)1)
CPD-14926	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C/C=O
CPD-14927	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C/C(=O)[O-]
CPD-14928	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-])=O
PHYTOL	CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(\C)=C/CO
CPD-558	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(CCCCCC([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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PORPHOBILINOGEN	C(C1(\N\C=C(CCC(=O)[O-])/C(\CC(=O)[O-])=1))[NH3+]
PORPHYRIN-RING	C1(\C2(\C=C5(\C=C/C(\C=C4(\C=C/C(\C=C3(\C=C/C(\C=C(\C=1)/N=2)=N3))=N4))=N5)))
CPD-7082	
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=N/C3(C(=O)NC(/N)=N/C2=3)))
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=N/C3(C(=O)NC(/N)=N/C2=3)))
CPD1G01-3	
CPD-9038	C[C@]5(C1(\N=C(CC4(\NC(/CC3(\NC(/CC2(\NC(/C=1)=C(CC([O-])=O)/C(\CCC([O-])=O)=2))=C(CCC([O-])=O)/C(\CC(=O)[O-])=3))=C(CCC([O-])=O)/C(\CC([O-])=O)=4))/[C@H]5CCC(=O)[O-]))(CC([O-])=O)
DIHYDROSIROHYDROCHLORIN	C[C@]1(CC(=O)[O-])([C@@H](C3(\[NH2+]C\1=C/C2([C@@H](CCC(=O)[O-])[C@](C(\N=2)=C\C5(\NC(/CC4(\NC(/C=3)=C(CC(=O)[O-])/C(\CCC(=O)[O-])=4))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=5))(C)CC(=O)[O-])))CCC(=O)[O-])
CPD-642	CC2(\C5(\NC(/CC4(\NC(/C=C3([C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(/C=C1([C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])C(\[NH2+]1)=2))=N/3))=C(CC(=O)[O-])/C(\CCC(=O)[O-])=4))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=5))
CPD-643	C[C@]6(CC(=O)[O-])([C@@H](C2(\N=C(\C=C1([C@@H](CCC(=O)[O-])[C@]5(C)(CC(=O)O[C@@](N1)([C@](O)(C)C4(\NC(/CC3(\NC(/C=2)=C(CC(=O)[O-])/C(\CCC(=O)[O-])=3))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=4))5)))/6))CCC(=O)[O-])
CPD-651	CC(=O)[C@@]12(NC(/[C@@H](CCC(=O)[O-])[C@](C)(CC(=O)[O-])1)=C/C5(/[C@@](C)(CC(=O)[O-])C(/CCC(=O)[O-])=C(CC4(\NC(/CC3(\[C@](C)(CCC(=O)[O-])C(/CC(=O)[O-])=C2/N=3))=C(CCC(=O)[O-])/C(\CC(=O)[O-])=4))/N=5))
CPD-662	CC([C@]12(NC(/[C@@H](CCC([O-])=O)[C@@](CC(=O)[O-])(C)1)=C/C5(/[C@](C(/CCC(=O)[O-])=C(CC4(C(/CC([O-])=O)=C(CCC(=O)[O-])/C(\CC3(\[C@](C(/CC(=O)[O-])=C2/N=3)(C)CCC(=O)[O-]))=N\4)C)/N=5)(CC(=O)[O-])C)))=O
CPD-675	C[C@@]3(C2(/CC5(\C(/CCC(=O)[O-])=C(CC([O-])=O)/C(CC4(\N=C(\C=C1([C@@H](CCC([O-])=O)[C@@](CC(=O)[O-])(C)[C@](N1)(C)C(\N=2)=C(CC(=O)[O-])\3))/[C@](C(/CCC(=O)[O-])=4)(CC(=O)[O-])C))(\N=5)C)))CCC(=O)[O-]
CPD-679	C[C@@]5(CCC([O-])=O)([C@@H](CC([O-])=O)[C@H]2(\N=C(CC1(\C(/CCC([O-])=O)=C(CC(=O)[O-])/[C@@](C)(\N=1)CC4(\N=C(\C=C3([C@H]([C@]([C@@]2(C)N3)(C)CC([O-])=O)CCC(=O)[O-]))/[C@@](C)(CC([O-])=O)C(/CCC([O-])=O)=4)))/5))
CPD-14845	CC2(C1(\C(/CCC([O-])=O)=C(C)/[C@@](C)(\N=1)CC5(\[NH+]=C(\C=C4([C@H]([C@]([C@@]([C@H]3([C@@H]([C@](CCC([O-])=O)(C)C\2=N/3)CC([O-])=O))(C)N4)(C)CC([O-])=O)CCC(=O)[O-]))/[C@@](C)(CC([O-])=O)C(/CCC([O-])=O)=5)))
CPD-686	CC2(C5(\[C@]([C@H]([C@H]([C@@]1(/N=C([C@@H](CCC([O-])=O)[C@@](CC(=O)[O-])(C)1)/C(\C)=C4([C@]([C@H](CCC(=O)[O-])C(/C[C@]3(C(/C)=C(CCC(=O)[O-])/C/2=N\3)C)=N/4)(CC(=O)[O-])C))C)\N=5)CC(=O)[O-])(C)CCC(=O)[O-]))
CPD-4211	CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]
PREPHENATE	C(=O)([O-])C(=O)C[C@]1(C(=O)[O-])(\C=C/[C@@H](O)\C=C/1)
7-CYANO-7-DEAZAGUANINE	C12(=C(C(NC(/N)=N/1)=O)C(/C#N)=C\N2)
7-AMINOMETHYL-7-DEAZAGUANINE	C([NH3+])C1(\C2(\C(=O)NC(/N)=N/C(\N/C=1)=2))
HYDROXYMETHYLBILANE	C(O)C4(\NC(/CC3(\NC(/CC2(\NC(/CC1(\N\C=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)
PRISTANATE	CC(CCCC(CCCC(C)CCCC(C([O-])=O)C)C)C
CPD-14675	CC(C)CCCC(C)CCCC(C)CCCC(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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PROCLAVAMINATE	C1(CC(=O)N1[C@H](C(=O)[O-])[C@H](O)CC[NH3+])
PROPANOL	CCCO
PROPIONATE	CCC(=O)[O-]
PROPIONYL-P	CCC(OP([O-])([O-])=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
PROPIONAMIDE	CCC(N)=O
3-4-DIHYDROXYBENZOATE	C(C1(\C=C(C(/O)=C\C=1)\O))(=O)[O-]
PROTOHEME	C=CC4(\C(/C)=C5(\C=C6(C(/C)=C(CCC(=O)[O-])/C7(\C=C8(C(/CCC(=O)[O-])=C(C)/C1(/N([Fe-2]3(N(C(/C=C2(C(/C)=C(C=C)/C(\C=1)=[N+]2/3))=4)5)([N+]/6=7))8))))))
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)))=N\5)))
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)))
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)
PTERIDINE-RING	C1(\C=N/C2(\C=N/C=N\C(\N=1)=2))
PTEROATE	C(NC1(\C=C/C(/C(=O)[O-])=C\C=1))C2(\C=N/C3(\N=C(N)/NC(=O)C(\N=2)=3))
PURINE-RING	C1(\C2(N\C=N/C(\N=C/N=1)=2))
CPD1G01-7	C2(\[NH+]=C(C(NC(CCC(N)=O)=O)CC1(\C=C/C(/O)=C\C=1))/N[C@@H](C2)C(=O)NC(CC([O-])=O)C(=O)NC(C(=O)NC(C4(\NC(C(=O)NCC(NC(C(NC3(CCCN(O)C(=O)3))=O)CO)=O)CC\[NH+]=4))C(O)C([O-])=O)CCC[NH3+])
PUTRESCINE	C([NH3+])CCC[NH3+]
CPD-9992	CN1([C@H](C([O-])=O)CS[C@@H]1[C@H]3(CSC(/C2(\C(\O)=C/C=C\C=2))=N/3))
CPD-12847	C[N+]2(\C3(/C=C\C=C(C(\N=C1(\C=C/C=C\C/1=2))=3)\O))
CPD1G01-5	C1(\C[C@H](N2(C(\[NH+]=1)=C(NC(CCC(N)=O)=O)CC3(/C=C(C(/O)=C\C/2=3)/O)))C(=O)NC(CC([O-])=O)C(=O)NC(C(=O)NC(C5(\NC(C(=O)NCC(NC(C(NC4(CCCN(O)C(=O)4))=O)CO)=O)CC\[NH+]=5))C(O)C([O-])=O)CCC[NH3+])
PYRAZINAMIDE	C1(\N=C/C=N\C(/C(=O)N)=1)
PYRAZINOIC-ACID	C1(\N=C/C=N\C(/C([O-])=O)=1)
PYRIDINE-RING	C1(\N=C/C=C\C=1)
PYRIDOXAL	CC1(/N=C\C(\CO)=C(C(/O)=1)\C=O)
PYRIDOXAL_PHOSPHATE	CC1(/N=C\C(\COP(=O)([O-])[O-])=C(C(/O)=1)\C=O)
PYRIDOXAMINE	CC1(\C(\O)=C(C(/CO)=C\N=1)\C[NH3+])
PYRIDOXAMINE-5P	CC1(\C(\O)=C(C(/COP([O-])([O-])=O)=C\N=1)\C[NH3+])
PYRIDOXINE	CC1(\C(\O)=C(C(/CO)=C\N=1)\CO)
PYRIDOXINE-5P	CC1(\C(\O)=C(C(/COP([O-])(=O)[O-])=C\N=1)\CO)
PYRROLE-2-CARBOXYLATE	C1(\NC(/C(=O)[O-])=C/C=1)
PQQ	C1(/C(/C(=O)[O-])=N\C2(/C(=O)C(=O)C3(\C=C(C(=O)[O-])/NC(\C(/C(/C(=O)[O-])=1)=2)=3)))
PYRUVATE	CC(=O)C(=O)[O-]
CPD-520	C3(/C=C(C(/O)=C\C(\C1(\OC2(/C=C(/C=C(C(\C(=O)C(/[O-])=1)=2)/O)/O)))=3)/O)
QUEUINE	C([NH2+]C1([C@@H](O)[C@@H](O)\C=C/1))C2(\C3(\C(=O)NC(/N)=N/C(\N/C=2)=3))
QUINOLINATE	C1(\N=C(C(/C([O-])=O)=C\C=1)\C([O-])=O)
CPD-18550	C([C@@H]3([C@H]([C@H]([C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3)O)O))OP(OC(=O)C4(\C=N/C5(\C(\N=4)=C/C=C\C=5)))([O-])=O
CPD-12792	C6(Cl)(=NC(/NC1(\C=C(\C=C/C=1)\S([O-])(=O)=O))=N/C(\NC2(\C(\S([O-])(=O)=O)=C/C=C(/C=2)/NC3(\C4(\C(O)C5(/C=C\C=C/C(/C(O)C(/C(/N)=C(/C=3)/S([O-])(=O)=O)=4)=5)))))=N\6)
NMNH	C1(/N(\C=C/CC(/C(N)=O)=1)[C@@H]2(O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H](O)2))
CPD-316	CC3(\C=C1(C(/N(C2(\C(N1)C(NC(/N=2)=O)=O))C[C@H](O)[C@H](O)[C@H](O)CO)=C\C(/C)=3))
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)=N/2))=C\C(/C)=3))
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)=N/2))=C\C(\N(C)C)=3))
CPD-19839	CC3(/C=C2(C(/N(C[C@H](O)[C@H](O)[C@H](O)COP([O-])(=O)[O-])C1(\C(\C(=O)[N-]C(=O)/N=1)=N/2))=C\C(\N(C)C)=3))
CPD-19840	CC6(/C=C5(C(/N(C[C@@H]([C@H](O)[C@H](O)COP(OP([O-])(OC[C@@H]3([C@@H](O)[C@@H](O)[C@H](N1(\C=N/C2(C(/N)=N\C=N/C1=2)))O3))=O)([O-])=O)O)C4(\C(\C(=O)[N-]C(=O)/N=4)=N/5))=C\C(\N(C)C)=6))
CPD-22651	C1(\C(\[As](=O)([O-])[O-])=C/C(/[N+]([O-])=O)=C(\C=1)/O)
CPD-22656	C1(\C(\[As](O)O)=C/C(/[N+]([O-])=O)=C(\C=1)/[O-])
RX	[R][X]
CPD-21118	CCCC(SC[C@@H](C([O-])=O)[NH3+])CCO
CPD-21212	C(SC(Cl)C([O-])=O)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-21121	CC(O)CC(C)(SC[C@@H](C([O-])=O)[NH3+])C
CPD-21119	CC(CO)C(C)SC[C@H]([NH3+])C([O-])=O
CPD-14706	CCCCCC(O)C(CC=O)SC[C@H]([NH3+])C(=O)[O-]
CPD-14705	CCCCCC(C(CC=O)SC[C@@H](C(NCC([O-])=O)=O)[NH3+])O
CPD-21122	CC(=O)CC(C)(SC[C@@H](C([O-])=O)[NH3+])C
CPD-21120	CCC(SC[C@@H](C([O-])=O)[NH3+])CCO
CPD-21108	CCCC(SC[C@@H](C([O-])=O)[NH3+])(C)CCO
S-HYDROXYMETHYLGLUTATHIONE	C(NC(=O)[C@H](CSCO)NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
CPD-19217	C(SNO)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-19493	C(S)SC[C@@H](C([O-])=O)[NH3+]
S-ACETYLDIHYDROLIPOAMIDE	CC(SC(CCS)CCCCC(N)=O)=O
S-ADENOSYLMETHIONINAMINE	C[S+](CCC[NH3+])C[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(\C/2=N/C=N\C(/N)=3)))
S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE	C[S+](CCC(C([O-])=O)=O)C[C@H]1(O[C@H]([C@@H]([C@@H]1O)O)N2(C3(\C(\N=C/2)=C(N)/N=C\N=3)))
ADENOSYL-HOMO-CYS	C(SC[C@@H]3([C@@H](O)[C@@H](O)[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3))C[C@@H](C([O-])=O)[NH3+]
S-ADENOSYLMETHIONINE	C[S+](C[C@@H]3([C@@H](O)[C@@H](O)[C@H](N1(C2(\N=C/N=C(C(\N=C/1)=2)/N)))O3))CC[C@@H](C([O-])=O)[NH3+]
CPD-21126	C(C1(\C=C/C=C\C=1))SC[C@@H](C([O-])=O)[NH3+]
CPD-9300	CCSC[C@H]([NH3+])C(=O)[O-]
CPD-21169	C(SC2(\C=C(\N=C(C1(\C=C/C=C\C=1))/N=2)\Cl))[C@@H](C([O-])=O)[NH3+]
CPD-548	C(NC(=O)[C@H](CSC=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
5-METHYLTHIOADENOSINE	CSC[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(\C/2=N/C=N\C(/N)=3)))
5-METHYLTHIOINOSINE	CSC[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(C(=O)N\C=N/C2=3)))
CPD-444	CSC[C@H]1(O[C@H](OP([O-])(=O)[O-])[C@@H]([C@@H]1O)O)
CPD-397	C[S+](CC[C@H]([NH3+])C(=O)[O-])C
S-NITROSOGLUTATHIONE	C(SN=O)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
CPD-11281	C(SS)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
SULFO-CYSTEINE	C([C@H]([NH3+])C(=O)[O-])SS([O-])(=O)=O
CPD-173	C(C1(/C=C\C=C/C(/O)=1))O
CPD-110	C(C1(\C(\O)=C/C=C\C=1))([O-])=O
SARCOSINE	C[NH2+]CC(=O)[O-]
SCOPOLETIN	COC2(/C=C1(\C=C/C(OC/1=C/C(/O)=2)=O))
SCOPOLIN	COC2(\C(\O[C@H]1([C@@H]([C@H]([C@H](O)[C@@H](CO)O1)O)O))=C/C3(OC(\C=C/C(/C=2)=3)=O))
SELENATE	O=[Se](=O)([O-])[O-]
SE-2	[Se-2]
SELENITE	[O-][Se](=O)[O-]
SELENOHOMOCYSTEINE	C(C[SeH])[C@H]([NH3+])C(=O)[O-]
CPD-13908	C(S[Se]SC[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O)[C@@H](C(NCC([O-])=O)=O)NC(=O)CC[C@H]([NH3+])C([O-])=O
SEPO3	[O-]P([O-])(O)=[Se]
SEMICARBAZIDE	C(N)(=O)NN
SEROTONIN	C([NH3+])CC1(\C2(/C=C(\C=C/C(/N\C=1)=2)/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)
SIROHEME	C[C@]3(CC(=O)[O-])([C@H](CCC(=O)[O-])C7(\[N+]4(\[Fe-2]16([N+]5(\C(/C(\CCC([O-])=O)=C(CC(=O)[O-])\C(/C=C2([C@@](C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(\N12)=C\C/3=4))=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(/C(\CC(=O)[O-])=C(CCC(=O)[O-])\C(\N=2)=C\C5(\NC(/C=C4([C@@](C)(CC(=O)[O-])[C@H](CCC(=O)[O-])C(\C=3)=N4))=C(CC(=O)[O-])/C(\CCC(=O)[O-])=5))))
CPD-22238	CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)NCCOP([O-])(=O)OC[C@@H](CO)O
L-1-GLYCERO-PHOSPHORYLCHOLINE	C([N+](C)(C)C)COP([O-])(=O)OC[C@H](O)CO
L-1-GLYCEROPHOSPHORYLETHANOL-AMINE	C(OP([O-])(OC[C@@H](CO)O)=O)C[NH3+]
SN-GLYCEROL-1-PHOSPHATE	C(OP([O-])(=O)[O-])[C@@H](O)CO
GLYCEROL-3P	C(OP([O-])(=O)[O-])[C@H](O)CO
SPERMIDINE	C([NH3+])CC[NH2+]CCCC[NH3+]
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=N/C3(C(/N)=N\C=N/C2=3))))=O
STERONE-RING	C3(CCC2(C4(CCC1(CCCC1C(CCC2C3)4))))
CPD-1092	C=CC1(\C=C/C=C\C=1)
SUC	C(C([O-])=O)CC([O-])=O
SUCC-S-ALD	C(C=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=C/N=C(C(\N=C/2)=3)/N))))[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)
CPD-15579	NS([O-])(=O)=O
SULFATE	O=S(=O)([O-])[O-]
CPD-7046	[S-2]
SO3	[O-]S([O-])=O
SUPER-OXIDE	[O-]O
CPD-17573	C(/C1(\C=C(C(\O)=C(/C=1)\OC)\OC))=N\N=C\C2(/C=C(C(\O)=C(/C=2)\OC)/OC)
CPD-8486	COC1(/C=C(/C=C(C(\O)=1)/OC)/C([O-])=O)
TAURINE	C(S(=O)(=O)[O-])C[NH3+]
CPD-15151	CC([NH3+])(C)C
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))
CPD0-1414	C[C@@]1(O)(C4(\C(\C(=O)C2(/[C@H]1C[C@H]3([C@@](C(\O)=2)(O)C(=O)C(\C(=O)N)=C([C@@H]([NH+](C)C)3)\[O-])))=C(\C=C/C=4)\O))
CPD-13315	COC2(\C(\O)=C/C=C(CCC(\O)=C\C(CCC1(\C=C/C(/O)=C(\C=1)/OC))=O)\C=2)
THMPT	C[C@H]([C@H]1([C@H](C)NC2(/N=C(N)\NC(C(/N1)=2)=O)))NC4(\C=C/C(\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-1301	C([C@@H]1(NC2(\C(NC(/N)=N/C(\NC1)=2)=O)))NC3(\C=C/C(/C(N[C@H](C(=O)[O-])CCC(N[C@H](C(=O)[O-])CCC(N[C@H](C(=O)[O-])CCC([O-])=O)=O)=O)=O)=C\C=3)
CPD-17574	C(\N=N/C=C1(/C=C(C(=O)C(/OC)=C\1)/OC))=C2(/C=C(C(C(/OC)=C\2)=O)/OC)
THIAMINE	CC2(\[N+](/CC1(\C=N/C(\C)=N\C(/N)=1))=C/SC(/CCO)=2)
THIAMINE-PYROPHOSPHATE	CC2(\[N+](/CC1(\C=N/C(\C)=N\C(/N)=1))=C/SC(/CCOP([O-])(=O)OP([O-])(=O)[O-])=2)
THIAMINE-P	CC2(\[N+](/CC1(\C=N/C(\C)=N\C(/N)=1))=C/SC(/CCOP([O-])(=O)[O-])=2)
CPD-611	CC2(\[N+](/CC1(\C=N/C(\C)=N\C(/N)=1))=C/SC(/CCOP([O-])(=O)OP([O-])(=O)OP([O-])(=O)[O-])=2)
HSCN	C(#N)[S-]
S2O3	O=S(=O)([O-])S
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(N\C=1)=O)
CPD-16720	CC1(\C(\O)=C/C=C(\C=1)/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-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)
TRANS-23-DEHYDROADIPYL-COA	CC(C)([C@@H](O)C(=O)NCCC(=O)NCCSC(/C=C/CCC(=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
4-HYDROXY-L-PROLINE	C1([NH2+][C@H](C(=O)[O-])C[C@@H](O)1)
CPD-225	C([O-])(=O)/C=C(CC([O-])=O)/C([O-])=O
CPD-676	C([O-])(=O)/C=C/C1(/C=C(C(/O)=C\C=1)/O)
CPD-10608	C1(\C(\OC(=O)\C=1)=C/C(=O)[O-])
CPD0-2121	CCC/C=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=C/N=C(C(\N=C/2)=3)/N))))[O-])[O-]
CPDN-385	C1(\C=C/C(O)=C(/C=C/C(=O)C(=O)[O-])\C=1)
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-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-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-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)
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-610	O=P1(OP(=O)(OP(O1)(=O)[O-])[O-])[O-]
CPD-5621	CC(=O)C[N+](C)(C)C
P3I	[O-]P(OP(=O)(OP([O-])(=O)[O-])[O-])([O-])=O
TRYPTAMINE	C([NH3+])CC1(\C2(/C=C\C=C/C(/N\C=1)=2))
CPD-20735	C4(\N([C@@H]3(O[C@H](COP(O[C@H]2(C[C@H](N1(C(=O)/N=C(\C=C/1)/N))O[C@H](COP(O[a deoxyribonucleic acid])(=O)[O-])2))(=O)[O-])[C@@H](OP(=O)([O-])O[a deoxyribonucleic acid])C3))C(=O)/N=C(\C=4)/N)
CPD-11643	CC4(\C(=O)NC(=O)N([C@@H]3(O[C@H](COP(O[C@H]2(C[C@H](N1(C(=O)NC(=O)C(/C)=C/1))O[C@H](COP(O[a deoxyribonucleic acid])(=O)[O-])2))(=O)[O-])[C@@H](OP(=O)([O-])O[a deoxyribonucleic acid])C3))\C=4)
TYRAMINE	C1(\C=C(\C=C/C(\CC[NH3+])=1)\O)
CPD-9958	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/CC1(\C(\O)=C(C(\OC)=C(C(/C)=1)\O)\OC)
UBIQUINOL-30	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(\C(\O)=C(C(\OC)=C(C(/C)=1)\O)\OC)
CPD-9955	CC(C)=CCCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CCC(\C)=C/CC1(\C(\O)=C(C(\OC)=C(C(/C)=1)\O)\OC)
CPD-9956	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(\OC)=C(C(/C)=1)\O)\OC)
CPD-9957	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(\OC)=C(C(/C)=1)\O)\OC)
UDP	C(OP(=O)([O-])OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
UDP-GROUP	C(OP(=O)([O-])OP(=O)(O)[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
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=C/C(=O)NC(=O)2)))O3)O)NC(=O)C)
CPD-13847	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=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)
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=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)=O)
CPD-16606	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=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)[NH3+])
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=C/C(=O)NC(=O)3)))CO)O)OC(C[C@@H](CCCCCCCCCCC)O)=O))=O)O
CPD-22405	CCCCCCCCC[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=C/C(=O)NC(=O)3)))CO)O)OC(C[C@@H](CCCCCCC)O)=O))=O)O
CPD-22406	CCCCCCC[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=C/C(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)[NH3+]))=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=C/C(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)[NH3+]))=O)O
CPD-22407	CCCCCCC[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=C/C(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)NC(=O)C))=O)O
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=C/C(=O)NC(=O)2)))O[C@@H]([C@H]3O)CO)NC(=O)C))=O)O
CPD-10751	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=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)NC(C)=O)O)[NH3+])
UDP-4-AMINO-4-DEOXY-L-ARABINOSE	C(OP(=O)([O-])OP(=O)([O-])O[C@H]1(OC[C@H]([NH3+])[C@H](O)[C@@H](O)1))[C@H]2(O[C@H]([C@H](O)[C@H](O)2)N3(\C=C/C(=O)NC(=O)3))
CPD-19695	C[C@@H]3([C@@H]([C@@H]([C@@H](O)[C@@H](OP(OP(OC[C@@H]1([C@H]([C@H]([C@@H](O1)N2(\C=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O3)O)[NH3+])
CPD-663	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=C/C(=O)NC(=O)2)))([O-])=O)[C@H](O)[C@@H](O)C(=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=C/C(=O)NC(=O)2)))[C@H](O)[C@@H](O)[C@H]3NC=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=C/C(=O)NC(=O)3))
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=C/C(=O)NC(=O)3)))([O-])=O)
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=C/C(=O)NC(=O)3)))([O-])=O)
UDP-GLUCURONATE	C([C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=C/C(=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)
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=C/C(=O)NC(=O)2)))[C@H](O)[C@@H](O)C(=O)3)
CPD-14795	CC(N[C@H]3([C@@H](OP(OP(OC[C@@H]1([C@H]([C@H]([C@@H](O1)N2(\C=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@@H]([C@@H]3O)O)CO))=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=C/C(NC2=O)=O))O)O))([O-])=O)([O-])=O)O[C@@H]([C@H]([C@@H]3O)O)CO)
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=C/C(=O)NC(=O)2)))[C@H](NC(C)=O)3))C(=O)[O-]
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=C/C(=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=C/C(=O)NC(=O)3)))O)
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=C/C(=O)NC(=O)2)))[C@H](NC(C)=O)3)
CPD0-1456	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=C/C(=O)NC(=O)3)))NC(C)=O))C(=O)[O-]
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=C/C(=O)NC(=O)3)))NC(C)=O))C(=O)N[C@H](CCC([O-])=O)C(=O)[O-]
CPD-12258	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCCC[NH3+])C(N[C@H](C)C(=O)[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=C/C(=O)NC(=O)3)))([O-])=O)([O-])=O)
C3	C[C@H](C(=O)N[C@@H](C([O-])=O)C)NC(=O)[C@H](CCCC[NH3+])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=C/C(=O)NC(=O)3)))([O-])=O)([O-])=O)
UDP-AAGM-DIAMINOHEPTANEDIOATE	C[C@@H](C(=O)N[C@@H](C(=O)[O-])CCC(=O)N[C@@H](CCC[C@@H]([NH3+])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=C/C(=O)NC(=O)3)))
C1	C[C@H](C(=O)N[C@H](C)C([O-])=O)NC(=O)[C@H](CCC[C@@H]([NH3+])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=C/C(=O)NC(=O)3)))
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=C/C(=O)NC(=O)2)))[C@H](NC(C)=O)3))C(=O)N[C@H](CCC(=O)N[C@@H](CCC[C@@H]([NH3+])C(=O)[O-])C(=O)N[C@H](C)C(=O)[O-])C(=O)[O-]
UMP	C(OP(=O)([O-])[O-])[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
CPD-12303	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](CCCC[NH3+])C(N[C@H](C)C(=O)[O-])=O)[C@H](O)[C@@H](CO)O1))([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[NH3+])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]([NH3+])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
URACIL	C1(\NC(=O)NC(=O)\C=1)
URATE	C12(NC(=O)NC(C(=O)NC(=O)N1)=2)
UREA	C(=O)(N)N
CPD-578	C(N)(NC([O-])=O)=O
URIDINE	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
CPD-3723	C(O)[C@H]1(O[C@H]([C@H](OP(=O)([O-])[O-])[C@H](O)1)N2(\C=C/C(=O)NC(=O)2))
CPD-3725	C1(\C(=O)NC(=O)N(\C=1)[C@@H]3(O[C@H](CO)[C@H]2(OP(=O)([O-])O[C@H]23)))
CPD-3724	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](OP(=O)([O-])[O-])1)N2(\C=C/C(=O)NC(=O)2))
UROCANATE	C1(\N\C=N/C(\C=C\C([O-])=O)=1)
CPD-11444	C(=O)([O-])CCC2(\C(/CC(=O)[O-])=C1(CC5(\NC(/CC4(\NC(/CC3(\NC(/CC(\N1)=2)=C(CC(=O)[O-])/C(\CCC([O-])=O)=3))=C(CC(=O)[O-])/C(\CCC(=O)[O-])=4))=C(CC([O-])=O)/C(\CCC(=O)[O-])=5)))
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=C/C(=O)NC(=O)2))
CPD-10780	CCCC(=O)CC(=O)N[C@H]1(CCOC(=O)1)
CPD-10785	CCCCCCCC(=O)N[C@H]1(CCOC(=O)1)
VANILLATE	COC1(\C(\O)=C/C=C(/C=1)/C(=O)[O-])
VANILLIN	COC1(\C(\O)=C/C=C(/C=1)/C=O)
CPD-19719	C=CC1(\C3(/C=C8(C(/C)=C(CCC(=O)[O-])/C4(/N([Fe-2]26(N7(C(/[O+]=C(C(/C)=1)[N+]\2=3)=C(C=C)\C(/C)=C(\C=C5(C(/C)=C(CCC(=O)[O-])/C(\C=4)=[N+]5/6))/7)))8))))
X-DALL-HEX-1:5	
X-DARA-HEX-2:5_2:KETO	
X-DARA-PEN-1:4	
X-DGAL-HEX-1:5	
X-DGAL-HEX-1:5_6:A	
X-DGLC-HEX-1:5	
X-DGLC-HEX-1:5_6:A	
X-DGLC-HEX-1:5_6:D	
X-DGLC-HEX-X:X	
X-DGRO-DGAL-NON-2:6_1:A_2:KETO_3:D	
X-DMAN-HEX-1:5	
X-DMAN-HEX-1:5_6:A	
X-DMAN-HEX-1:5_6:D	
X-DMAN-HEX-X:X	
X-DMAN-OCT-2:6_1:A_2:KETO_3:D	
X-DRIB-PEN-1:4	
X-DXYL-PEN-1:5	
X-HEP-1:5	
X-HEP-X:X	
X-HEX-1:5	
X-HEX-1:5_6:A	
X-LARA-PEN-1:4	
X-LGAL-HEX-1:5	
X-LGAL-HEX-1:5_6:D	
X-LIDO-HEX-1:5_6:A	
X-LMAN-HEX-1:5_6:D	
X-PEN-1:4	
X-PEN-1:5	
XANTHOSINE	C(O)[C@H]1(O[C@H]([C@H](O)[C@H](O)1)N2(\C=N/C3(\C(=O)NC(=O)NC/2=3)))
XANTHOSINE-5-PHOSPHATE	C(OP(=O)([O-])[O-])[C@@H]1([C@@H](O)[C@@H](O)[C@@H](O1)N2(\C=N/C3(\C(=O)NC(=O)NC/2=3)))
XTP	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=N/C3(\C(=O)NC(=O)NC/2=3)))
ZN+2	[Zn+2]
CPD-16954	C[C@H]1(C(/[C@@H](C)OP(=O)([O-])OP(=O)([O-])[O-])=N\C2(/C(=O)NC(/N)=N/C(\N1)=2))
ACP-GROUP	CC(C)(COP(=O)([O-])OC[C@H](N[a soluble <i>apo</i>-[acyl-carrier protein]])C(=O)[a soluble <i>apo</i>-[acyl-carrier protein]])[C@@H](O)C(=O)NCCC(=O)NCCS
Aryl-Carrier-Protein-Group	CC(C)(COP(=O)([O-])OC[C@H](N[an aryl-carrier protein])C(=O)[an aryl-carrier protein])[C@@H](O)C(=O)NCCC(=O)NCCS
CPD-20907	C[C@@H](O)CNC(=O)CC[C@]1(C)([C@@H](CC(=O)N)[C@@H]8([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(\C(/C)=C4([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-3]([N+]\2=3)([N+]4=5)[N+]\6=7)8)))))))).[a [corrinoid adenosyltransferase]]
CPD-20906	C[C@@H](O)CNC(=O)CC[C@]1(C)([C@@H](CC(=O)N)[C@@H]8([C@@]6(C)([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C7(\C(/C)=C4([C@@](C)(CC(N)=O)[C@H](CCC(N)=O)C5(\C=C2(C(C)(C)[C@H](CCC(N)=O)C3(\C(/C)=C1/N([Co-2]([N+]\2=3)([N+]4=5)[N+]\6=7)8)))))))).[a [corrinoid adenosyltransferase]]
NRPS-Group	CC(C)(COP(=O)([O-])OC[C@H](N[a non-ribosomal peptide synthase])C(=O)[a non-ribosomal peptide synthase])[C@@H](O)C(=O)NCCC(=O)NCCS
Peptidyl-Carrier-Protein-Group	CC(C)(COP(=O)([O-])OC[C@H](N[a peptidyl-carrier protein])C(=O)[a peptidyl-carrier protein])[C@@H](O)C(=O)NCCC(=O)NCCS
PKS-ACP-GROUP	CC(C)(COP(=O)([O-])OC[C@H](N[a <i>holo</i> acp domain within a [polyketide synthase]])C(=O)[a <i>holo</i> acp domain within a [polyketide synthase]])[C@@H](O)C(=O)NCCC(=O)NCCS
