1	LCV	(2~{S})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid	1.000
2	SO5	(2~{R})-1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid	1.000
3	UTA	Acetyl-oxa(dethia)-CoA	0.911
4	KGA	[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethoxy]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium	0.881
5	DCA	Desulfo-coenzyme a	0.839
6	0T1	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(propylamino)propyl]amino]butyl] hydrogen phosphate	0.825
7	COA	Coenzyme a	0.825
8	COZ	Coenzyme a	0.825
9	UT7	Oxa(dethia)-CoA	0.825
10	ETB	Ethyl coenzyme a	0.821
11	CAO	Oxidized coenzyme a	0.810
12	COS	Coenzyme a persulfide	0.810
13	WZG	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(methylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutyl dihydrogen diphosphate (non-preferred name)	0.810
14	30N	(3r,5s,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3,5-diphosphaheptadecane-17-sulfinic acid 3,5-dioxide (non-preferred name)	0.797
15	FYN	S-{(9r,13s,15r)-17-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} thioformate	0.797
16	0RQ	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(4-oxidanylidenepentylamino)propyl]amino]butyl] hydrogen phosphate	0.783
17	ACO	Acetyl coenzyme *a	0.783
18	AMX	Amidocarboxymethyldethia coenzyme *a	0.783
19	CMX	Carboxymethyldethia coenzyme *a	0.783
20	NMX	Nitromethyldethia coenzyme a	0.783
21	1VU	Propionyl coenzyme a	0.770
22	1XE	[5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)furan-2-yl]methyl (3r)-4-{[3-({(E)-2-[(2,2-dihydroxyethyl)sulfanyl]ethenyl}amino)-3-oxopropyl]amino}-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate	0.770
23	CMC	Carboxymethyl coenzyme *a	0.770
24	COK	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-4-{[3-({2-[(2-hydroxyethyl)dithio]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate	0.770
25	FAM	Alpha-fluoro-amidocarboxymethyldethia coenzyme a complex	0.770
26	FCX	Alpha-fluoro-carboxymethyldethia coenzyme a complex	0.770
27	HAX	N-hydroxyamidocarboxymethyldethia coenzyme *a	0.770
28	SOP	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxopropyl)thio]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate	0.770
29	2MC	Methacrylyl-coenzyme a	0.758
30	8HB	(2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]propanoic acid	0.758
31	A1S	Isopentyl-coenzyme a	0.758
32	BCO	Butyryl coenzyme a	0.758
33	CA6	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-4-[[3-(4-methylsulfonylbutylamino)-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate	0.758
34	CO6	Isobutyryl-coenzyme a	0.758
35	COO	Crotonyl coenzyme a	0.758
36	OXK	Oxalyl-coenzyme a	0.758
37	UQ3	S-{(3s,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2r)-2-hydroxypropanethioate	0.758
38	YAS	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] butanethioate	0.758
39	1GZ	Methylthioacryloyl-CoA	0.746
40	1HE	3-methylmercaptopropionate-CoA (mmpa-CoA)	0.746
41	2CP	2-carboxypropyl-coenzyme a	0.746
42	3CP	3-carboxypropyl-coenzyme a	0.746
43	3HC	3-hydroxybutanoyl-coenzyme a	0.746
44	3KK	S-{(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} 2-hydroxy-2-methylpropanethioate	0.746
45	52O	Pivalyl-coenzyme a	0.746
46	CAA	Acetoacetyl-coenzyme a	0.746
47	CAJ	Ethyl 5-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate	0.746
48	IVC	Isovaleryl-coenzyme a	0.746
49	MLC	Malonyl-coenzyme a	0.746
50	AC8	[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-bis(phosphonooxy)tetrahydrofuran-2-yl]methyl (3r)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl dihydrogen diphosphate	0.742
51	2KQ	(3s)-3-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-oxidanyl-butanoic acid	0.734
52	COF	Trifluoroacetonyl coenzyme a	0.734
53	HXC	Hexanoyl-coenzyme a	0.734
54	KFV	[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium	0.734
55	KGJ	[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylamino]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium	0.734
56	MC0	(S)-methylmalonyl-coenzyme a	0.734
57	MC4	2-methylacetoacetyl CoA	0.734
58	MCA	Methylmalonyl-coenzyme a	0.734
59	MCD	Methylmalonyl(carbadethia)-coenzyme a	0.734
60	SCA	Succinyl-coenzyme a	0.734
61	SCD	Succinyl(carbadethia)-coenzyme a	0.734
62	SCO	Succinamide-CoA	0.734
63	T1G	(2s,3s)-3-hydroxy-2-methylbutanoyl-CoA	0.734
64	TC6	(2e)-hexenoyl-CoA	0.734
65	V0V	(3s,5r,9r,19e)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)	0.734
66	COD	Dephospho coenzyme a	0.724
67	3H9	(S)-3-hydroxyhexanoyl-CoA	0.723
68	4CA	4-hydroxybenzyl coenzyme a	0.723
69	4KW	1-monoenoyl-CoA	0.723
70	4KX	1,5 dienoyl-CoA	0.723
71	BYC	Benzoyl coenzyme a	0.723
72	GRA	Glutaryl-coenzyme a	0.723
73	IRC	S-[2-[3-[[(2r)-4-[[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl ]oxy-hydroxy-phosphoryl]oxy-2-hydroxy-3,3-dimethyl-butanoyl]amino]propanoylamino]ethyl] (2r)-2-hydroxy-4-methyl-pentanethioate	0.723
74	KGP	(2r)-sulfonatepropionyl-amino(dethia)-CoA	0.723
75	N9V	5'-O-[(S)-{[(S)-[(3r)-4-({(1e)-3-[(2-{[(2s)-2-carboxybutanoyl]sulfanyl}ethyl)amino]-3-oxoprop-1-en-1-yl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine 3'-(dihydrogen phosphate)	0.723
76	NBC	S-4-nitrobutyryl-CoA	0.723
77	NJS	Itaconyl coenzyme a	0.723
78	OA9	Mesaconyl coenzme a	0.723
79	TGC	3-thiaglutaryl-CoA	0.723
80	YXR	(2r)-sulfonatepropionyl-CoA	0.723
81	YXS	(2s)-sulfonatepropionyl-CoA	0.723
82	YZS	(2s)-sulfonatepropionyl-amino(dethia)-CoA	0.723
83	ZKK	(2s)-methylsuccinyl-CoA	0.723
84	0FQ	Phenacyl coenzyme a	0.712
85	2NE	Salicylyl CoA	0.712
86	B7X	(3r,5r,9r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)	0.712
87	BCA	4-hydroxybenzoyl coenzyme a	0.712
88	CO8	Octanoyl-coenzyme a	0.712
89	COW	Anthraniloyl-coenzyme a	0.712
90	CQM	Citramalyl-CoA	0.712
91	CS8	3-thiaoctanoyl-coenzyme a	0.712
92	FAQ	Phenylacetyl coenzyme a	0.712
93	HGG	(3r,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide	0.712
94	T3D	(~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid	0.712
95	TUY	(3s,5s,9r,20r,21r)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,20, 21-pentahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphadocosan-22-oic acid 3,5-dioxide (non-preferred name)	0.712
96	01A	4-chlorophenacyl-coenzyme a	0.701
97	1CV	(3r,5r,9r,19r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-sulfanyl-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide	0.701
98	1CZ	(3s,5s,9r,21s)-1-[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8,21-trimethyl-10,14-dioxo-19-thioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide	0.701
99	4CO	4-hydroxyphenacyl coenzyme a	0.701
100	CA8	[[(2r,3s,4r,5r)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3r)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[4-(phenylsulfonyl)butylamino]propyl]amino]butyl] hydrogen phosphate	0.701
101	CCQ	L-carnitinyl-CoA inner salt	0.701
102	FWC	N-methylanthraniloyl-CoA	0.701
103	HMG	3-hydroxy-3-methylglutaryl-coenzyme a	0.701
104	LHQ	~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate	0.701
105	ZKE	Mevaldyl-coenzyme a	0.701
106	8JD	[(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (3r)-4-[(3-{[2-(ethylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate (non-preferred name)	0.700