Index	PDB ID	Protein Name	Organism	UniProt ID	Ligand Name	Canonical SMILES	HET Code
1	6RQZ	Alpha-mannosidase 2	Drosophila melanogaster (Fruit fly)	Q24451	Manno-epi-cyclophellitol aziridine	OC[C@@H]([C@@H]([C@@H]12)N2)[C@@H](O)[C@H](O)[C@@H]1O	KGH
2	5EZY	Tubulin beta-2B chain	Bos taurus (Bovine)	Q6B856	taccalonolide AJ	O1[C@H]([C@]123)[C@@H](C)[C@H]4[C@H]([C@@]2(C)[C@](C(O3)=O)(C)O)[C@H](O)[C@H]5[C@H]6[C@H]([C@H](OC(=O)C)[C@@H]([C@]45C)OC(=O)C)[C@]7(C)[C@@H](C(=O)[C@@H]6O)C[C@H]8[C@H](O8)[C@@H]7OC(=O)C	TAJ
3	4WSJ	Alpha-L-fucosidase	Bacteroides thetaiotaomicron (strain ATCC 29148 / DSM 2079 / NCTC 10582 / E50 / VPI-5482)	Q8A3I4	N-acetyl cyclophellitol aziridine	O=C(C)N1[C@@H]([C@@H]12)[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O	3U3
4	5TND	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	(1R,2R)-1,2-Epoxycyclohexane	[C@H]12[C@H](O2)CCCC1	40O
5	4YD4	Endothiapepsin	Cryphonectria parasitica (Chestnut blight fungus) (Endothia parasitica)	P11838	4-(bromomethyl)benzoic acid	OC(=O)c1ccc(CBr)cc1	4AY
6	5HJR	Neutral alpha-glucosidase AB	Mus musculus (Mouse)	Q8BHN3	5-fluoro-beta-D-glucopyranose	OC[C@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	5GF
7	4AMX	Alpha-1,4-glucan lyase isozyme 1	Gracilariopsis lemaneiformis (Red alga) (Gracilaria lemaneiformis)	Q9STC1	5-fluoro-beta-D-glucopyranose	OC[C@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	5GF
8	4BA0	Oligosaccharide 4-alpha-D-glucosyltransferase	Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa)	B3PEE6	5-fluoro-beta-D-glucopyranose	OC[C@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	5GF
9	5EMY	Pancreatic alpha-amylase	Homo sapiens (Human)	P04746	Glucosyl epi-cyclophellitol	OC[C@H]1O[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)O[C@H]([C@H]2CO)[C@H](O)[C@@H](O)[C@H](O3)[C@H]23	5QP
10	5I24	Oligosaccharide 4-alpha-D-glucosyltransferase	Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa)	B3PEE6	CF021	OC[C@@H]([C@@H]([C@H]12)N2)[C@@H](O)[C@H](O)[C@H]1O	66U
11	5I23	Oligosaccharide 4-alpha-D-glucosyltransferase	Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa)	B3PEE6	CF022	OC[C@H]1[C@H]2[C@@H]([C@H](O)[C@@H](O)[C@@H]1O)N2CCCCCCCCN=[N+]=[N-]	66V
12	5TNR	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	16,17-epoxy-4Z,7Z,10Z,13Z,19Z-docosapentaenoic acid	CC\C=C/C[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	7EZ
13	5TNM	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	1,2-Epoxyoctane	CCCCCC[C@H]1CO1	7F2
14	5TNN	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	1,2-Epoxyoctane	CCCCCC[C@H]1CO1	7F2
15	5TNK	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	1,2-Epoxyoctane	CCCCCC[C@H]1CO1	7F2
16	5TNE	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	cis-Stilbene Oxide	c1ccccc1[C@H]2O[C@H]2c3ccccc3	7F6
17	5TNL	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	1,2-epoxyhexane	CCCC[C@H]1CO1	7FB
18	4DNO	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	1,2-epoxyhexane	CCCC[C@H]1CO1	7FB
19	5TNF	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	(±)19,20-epoxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acid	CC[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O	7HW
20	3IGU	Alpha-N-acetylgalactosaminidase	Homo sapiens (Human)	P17050	2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSE	FC1(F)[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	7JZ
21	3HG4	Alpha-galactosidase A	Homo sapiens (Human)	P06280	2-DEOXY-2,2-DIFLUORO-BETA-D-GALACTOPYRANOSE	FC1(F)[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O	7JZ
22	5TNG	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	(±)14,15-epoxy-5Z,8Z,11Z,17Z-eicosatetraenoic acid	CC\C=C/C[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/CCCC(O)=O	7LE
23	5TNH	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	(±)17,18-epoxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid	CC[C@H]1O[C@@H]1C\C=C/C\C=C/C\C=C/C\C=C/CCCC(O)=O	7MS
24	5Y2Y	Haloalkane dehalogenase	Rhodococcus sp.	P0A3G3	dansyl-PEG2-HTL	CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCOCCOCCCCCCCl	8LL
25	5TNJ	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	4-Vinyl-1-cyclohexene 1,2-epoxide	C=C[C@@H](C1)CC[C@H](O2)[C@H]12	8MD
26	5TNJ	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	4-Vinyl-1-cyclohexene 1,2-epoxide	C=C[C@@H](C1)CC[C@H](O2)[C@H]12	AVH
27	5TNJ	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	4-Vinyl-1-cyclohexene 1,2-epoxide	C=C[C@@H](C1)CC[C@H](O2)[C@H]12	BVH
28	5TNJ	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	4-Vinyl-1-cyclohexene 1,2-epoxide	C=C[C@@H](C1)CC[C@H](O2)[C@H]12	DVH
29	5UXZ	Haloalkane dehalogenase	Rhodococcus rhodochrous	P0A3G2	N-(6-chlorohexyl)-2-[N-methyl-7-(dimethylamino)-2,1,3-benzothiadiazole-4-sulfonamido]acetamide	CN(C)c1ccc(c(c12)nsn2)S(=O)(=O)N(C)CC(=O)NCCCCCCCl	8PM
30	5NPB	Oligosaccharide 4-alpha-D-glucosyltransferase	Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa)	B3PEE6	1,6-epi-cyclophellitol cyclosulfate	O1S(=O)(=O)O[C@H]([C@@H]12)[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O	93Z
31	5VNP	Haloalkane dehalogenase	Rhodococcus rhodochrous	P0A3G2	N-(2-{2-[(6-chlorohexyl)oxy]ethoxy}ethyl)-2-[N-methyl-7-(methylamino)-2,1,3-benzoxadiazole-4-sulfonamido]acetamide	CNc1ccc(c(c12)non2)S(=O)(=O)N(C)CC(=O)NCCOCCOCCCCCCCl	9FM
32	4GVH	Beta-hexosaminidase	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)	Q8ZQ06	5-fluoro-N-acetyl-alpha-D-glucosamine	CC(=O)N[C@H]([C@@H](O)[C@@H]1O)[C@H](O)O[C@]1(F)CO	0XY
33	6LX1	4-alpha-glucanotransferase, chloroplastic/amyloplastic	Solanum tuberosum (Potato)	Q06801	Arcabose	O[C@@H]1[C@@H](O)[C@H](O)[C@H](O[C@H]1O)CO[C@@H]2[C@H](O)[C@@H](O)[C@@H]([C@H](O2)CO)O[C@H]3O[C@H](C)[C@H]([C@H](O)[C@H]3O)N[C@H]4C=C(CO)[C@H]([C@H](O)[C@H]4O)O[C@@H]5[C@H](O)[C@@H](O)[C@@H]([C@H](O5)CO)O[C@@H]6[C@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO	ASO
34	5AEG	Sulfoquinovosidase	Escherichia coli (strain K12)	P32138	5-fluoro-alpha-L-idopyranose	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	B9D
35	4AMW	Alpha-1,4-glucan lyase isozyme 1	Gracilariopsis lemaneiformis (Red alga) (Gracilaria lemaneiformis)	Q9STC1	5-fluoro-alpha-L-idopyranose	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	B9D
36	3IJ8	Pancreatic alpha-amylase	Homo sapiens (Human)	P04746	5-fluoro-alpha-L-idopyranose	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	B9D
37	5JOV	Alpha-xylosidase BoGH31A	Bacteroides ovatus (strain ATCC 8483 / DSM 1896 / JCM 5824 / NCTC 11153)	A7LXT0	5-fluoro-alpha-L-idopyranose	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	B9D
38	6LGI	Aamy domain-containing protein	Bombyx mori (Silk moth)	H9J974	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
39	6LGH	Aamy domain-containing protein	Bombyx mori (Silk moth)	H9J974	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
40	1S46	Amylosucrase	Neisseria polysaccharea	Q9ZEU2	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
41	2GDV	Sucrose phosphorylase	Bifidobacterium adolescentis (strain ATCC 15703 / DSM 20083 / NCTC 11814 / E194a)	A0ZZH6	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
42	3WY2	Alpha-glucosidase	Halomonas sp. H11	H3K096	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
43	4WLC	Glucan 1,6-alpha-glucosidase	Streptococcus mutans serotype c (strain ATCC 700610 / UA159)	Q99040	beta-D-glucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	BGC
44	1ZRM	(S)-2-haloacid dehalogenase	Pseudomonas sp. (strain YL)	Q53464	2-CHLORO-N-BUTYRIC ACID	CC[C@H](Cl)C([O-])=O	BUA
45	4DNF	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	epibromohydrin	BrC[C@H]1CO1	EBH
46	5JYC	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	14,15-EET	CCCCC[C@H]1O[C@@H]1C\C=C/C\C=C\C\C=C/CCCC(O)=O	EET
47	2SAM	Exoribonuclease H	Simian immunodeficiency virus (SIV)	Q5QGH9	1,2-epoxy-3-(p-nitrophenoxy)propane	[O-][N+](=O)c1ccc(cc1)OC[C@H]2CO2	EPN
48	5TNQ	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	Styrene oxide	C1O[C@@H]1c2ccccc2	FEH
49	5TNP	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	Styrene oxide	C1O[C@@H]1c2ccccc2	FEH
50	5TNI	Putative hydrolase	Pseudomonas aeruginosa (strain UCBPP-PA14)	A0A0H2ZD27	Styrene oxide	C1O[C@@H]1c2ccccc2	FEH
51	6GWG	Alpha-galactosidase	Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8)	G4FEF4	(1S,2S,3S)-6-[(2,4-dinitrophenoxy)methyl]-3-fluorocyclohex-5-ene-1,2,4-triol	F[C@@H]1[C@@H](O)[C@@H](O)C(=C[C@@H]1O)COc2ccc([N+]([O-])=O)cc2[N+]([O-])=O	FEK
52	2XVK	Alpha-xylosidase, putative, xyl31A	Cellvibrio japonicus (strain Ueda107) (Pseudomonas fluorescens subsp. cellulosa)	B3PBD9	5-fluoro-alpha-D-xylopyranosyl fluoride	O[C@H]1[C@H](O)[C@H](F)O[C@H](F)[C@@H]1O	FFX
53	1QX1	Alpha-mannosidase 2	Drosophila melanogaster (Fruit fly)	Q24451	2-F-mannosyl-F	OC[C@@H]1[C@@H](O)[C@H](O)[C@H](F)[C@@H](O1)F	FMF
54	1HL9	Alpha-L-fucosidase, putative	Thermotoga maritima (strain ATCC 43589 / DSM 3109 / JCM 10099 / NBRC 100826 / MSB8)	Q9WYE2	2-deoxy-2-fluoro-L-fucose	C[C@H]1[C@@H](O)[C@@H](O)[C@H](F)[C@H](O1)O	FUF
55	5VQE	Beta-glucoside phosphorylase BglX	None	A0A2R2JFS5	2-deoxy-2-fluoroglucose	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](F)[C@H](O1)O	G2F
56	1QWU	Alpha-mannosidase 2	Drosophila melanogaster (Fruit fly)	Q24451	5-FLUORO-BETA-L-GULOSYL FLUORIDE	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H]([C@@H](O1)F)O	GUL
57	1QWN	Alpha-mannosidase 2	Drosophila melanogaster (Fruit fly)	Q24451	5-FLUORO-BETA-L-GULOSYL FLUORIDE	OC[C@@]1(F)[C@@H](O)[C@H](O)[C@@H]([C@@H](O1)F)O	GUL
58	6DTE	Beta-hexosaminidase	Burkholderia cenocepacia	A0A125HFC0	N-[(1S,2R,3R,4R,5R,6R)-3,4-dihydroxy-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptan-2-yl]-2,2,2-trifluoroacetamide	OC[C@@H]([C@@H](O1)[C@@H]12)[C@@H](O)[C@H](O)[C@H]2NC(=O)C(F)(F)F	H9J
59	6Q7J	Exo-1,4-beta-xylosidase xlnD	Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans)	Q5BAS1	3,3-dimethyl-1-[4-({8-[(1R,2S,3S,4S,5R,6S)-2,3,4,5-tetrahydroxy-7-azabicyclo[4.1.0]heptan-7-yl]octyl}carbamoyl)butyl]-2-[5-(1,3,3-trimethyl-2,3-dihydro-1H-indol-2-ylidene)penta-1,3-dien-1-yl]-3H-indol-1-ium	CN1\C(=C/C=C/C=C/C2=[N+](CCCCC(=O)NCCCCCCCC[N@@]3[C@H]4[C@@H]3[C@H](O)[C@H](O)[C@@H](O)[C@@H]4O)c3ccccc3C2(C)C)C(C)(C)c2ccccc12	HLB