Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate	COVPDB597	c1ccccc1-c2nc(on2)C3CN(C3)C(=O)OC(C(F)(F)F)C(F)(F)F	1
2	1,1'-(1E)-(1,2-Ethenediyl)bis[2-chloro-4-boronic acid]benzene	COVPDB961	OB(O)c1ccc(c(Cl)c1)/C=C/c2ccc(cc2Cl)B(O)O	1
3	1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)	COVPDB503	CC(=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc1	1
4	1,2-Benzenedisulfonyl fluoride	COVPDB921	FS(=O)(=O)c1ccccc1S(F)(=O)=O	1
5	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	COVPDB992	N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc2ccc(cc2)-c3ccccc3	1
6	1-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triaza-1,2-dien-2-ium	COVPDB228	[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N	1
7	[1-(5-chloro-4-oxo-4H-3,1-benzoxazin-2-yl)-2-methylpropyl] carbamic acid 1,1-dimethylethyl ester	COVPDB940	CC(C)(C)OC(=O)N[C@@H](C(C)C)c(oc1=O)nc(c12)cccc2Cl	1
8	16-epi-Vellosimine	COVPDB773	C/C=C([C@@H]12)/CN3[C@@H](C2)c4c(C[C@H]3[C@H]1C=O)c5c([nH]4)cccc5	1
9	1-acetyl-L-prolyl-L-valyl-L-tyrosyl-3-methyl-L-valyl-N~1~-[(1R)-1-phosphonoethyl]-L-glutamamide	COVPDB857	CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)P(=O)(Oc3ccccc3)Oc4ccccc4	1
10	1-dodecanesulfonyl chloride	COVPDB715	CCCCCCCCCCCCS(Cl)(=O)=O	1
11	1-hydroxy-2,6-dioxa-3-oxo-4-phenylphosphorinone	COVPDB647	OP1(=O)OC=C(C(=O)O1)c1ccccc1	1
12	1-{[hydroxy(phosphonooxy)boranyl]methyl}-1H-1,2,3-triazole-4-carboxylic acid	COVPDB465	OB(Cn1cc(nn1)C(O)=O)OP(O)(O)=O	1
13	[(1R)-1-[(2,6-difluorophenyl)formamido]ethyl]boronic acid	COVPDB730	OB(O)[C@H](C)NC(=O)c1c(F)cccc1F	1
14	(1R)-1-(2-THIENYLACETYLAMINO)-1-(3-CARBOXYPHENYL)METHYLBORONIC ACID	COVPDB1317	OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(c1)C(O)=O	5
15	(1R)-1-(2-THIENYLACETYLAMINO)-1-PHENYLMETHYLBORONIC ACID	COVPDB1318	c1ccccc1[C@@H](B(O)O)NC(=O)Cc2cccs2	3
16	(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID	COVPDB1319	OB(O)[C@@H](NC(=O)Cc1cccs1)c1cccc(\C=C\C(O)=O)c1	1
17	(1R)-1-Acetamido-2-(3-carboxy-2-hydroxyphenyl)ethylboronic acid	COVPDB565	CC(=O)N[C@@H](Cc1cccc(C(O)=O)c1O)B(O)O	1
18	(1R)-1-Phenylacetamido-2-(3-carboxyphenyl)ethylboronic acid 	COVPDB566	CC(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O	1
19	(1R)-2-{[AMINO(IMINO)METHYL]AMINO}-1-{4-[(4R)-4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL]PHENYL}ETHYL NICOTINATE	COVPDB177	NC(=N)NC[C@H](OC(=O)c1cccnc1)c1ccc(cc1)B1OC[C@@H](CO)O1	1
20	(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID	COVPDB569	OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc1ccccc1	1
21	(1R,2S,5R)‐2‐isopropyl‐5‐methylcyclohexylhexylphosphonochloridate	COVPDB1102	CCCCCC[P@@](Cl)(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C	2
22	[(1S)-1-[(2,6-difluorophenyl)formamido]ethyl]boronic acid	COVPDB762	OB(O)[C@@H](C)NC(=O)c1c(F)cccc1F	1
23	[(1S)-1-[(2-benzylphenyl)formamido]ethyl]boronic acid	COVPDB731	OB(O)[C@@H](C)NC(=O)c1ccccc1Cc2ccccc2	1
24	[(1S)-1-{[2-(propan-2-yl)phenyl]formamido}ethyl]boronic acid	COVPDB732	OB(O)[C@@H](C)NC(=O)c1ccccc1C(C)C	1
25	[(1S)-1-({3-fluoro-[1,1'-biphenyl]-2-yl}formamido)ethyl]boronic acid	COVPDB1495	OB(O)[C@@H](C)NC(=O)c1c(F)cccc1-c2ccccc2	1
26	(1S)-1-(PHENOXYMETHYL)PROPYL METHYLPHOSPHONOCHLORIDOATE	COVPDB1234	O=[P@](Cl)(C)O[C@@H](CC)COc1ccccc1	1
27	(1S,5R)-2-{[4-(methylamino)butyl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid	COVPDB196	CNCCCCNC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O	1
28	(1S,5R)-2-{[(4R)-azepan-4-yl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid	COVPDB1510	OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@@H]1CCCNCC1	1
29	(1S,5R)-2-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid	COVPDB1294	NCCN1CCC[C@@H](CC1)NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(O)(=O)=O	1
30	(1S,5R)-2-{[(4S)-azepan-4-yl]carbamoyl}-7-oxo-2,6-diazabicyclo[3.2.0]heptane-6-sulfonic acid	COVPDB1509	OS(=O)(=O)N1[C@@H]2CCN([C@@H]2C1=O)C(=O)N[C@H]1CCCNCC1	1
31	(1S,7S)-7-amino-7-benzyl-N-[(1S)-4-carbamimidamido-1-{(1S)-1,2-dioxo-2-[(2-phenylethyl)amino]ethyl}butyl]-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide	COVPDB2	NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1	1
32	(1S,7S)-7-amino-N-[(2R,3S)-7-amino-1-(cyclohexylamino)-2-keto-1-oxoheptan-3-yl]-7-benzyl-8-oxohexahydro-1H-pyrazolo[1,2-a]pyridazine-1-carboxamide	COVPDB1	NCCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NC1CCCCC1	1
33	1-thioxy-3-hydroxy-acetone	COVPDB1305	OCC(=O)CSO	1
34	2-((1-(4-Bromophenyl)-1H-1,2,3-triazol-4-yl)methyl)-4,4-dimethyl-1,2-thiazetidin-3-one 1,1-dioxide	COVPDB963	CC1(C)C(=O)N(S1(=O)=O)Cc2cn(nn2)Cc3ccc(Br)cc3	1
35	2-(2-(3,4-DICHLOROPHENYL)-5-(ISOPROPYLAMINO)-6-OXOPYRIMIDIN-1(6H)-YL)-N-((S)-1-OXO-1-(THIAZOL-2-YL)-5-GUANIDINOPENTAN-2-YL)ACETAMIDE	COVPDB290	CC(C)Nc1cnc(-c2ccc(Cl)c(Cl)c2)n(CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c2nccs2)c1=O	1
36	2, 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-PHENYLBORONIC ACID	COVPDB770	OB(O)c1cccc(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1	1
37	2-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid	COVPDB515	CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C	1
38	2,4‐dioxo‐1,3,2lambda5‐benzodioxaphosphinin‐2‐olate	COVPDB152	OP1(=O)OC(=O)c2ccccc2O1	1
39	2-(4-hydroxyphenyl)-N-(5-methylene-2-oxotetrahydrofuran-3-yl)acetamide	COVPDB1178	Oc1ccc(cc1)CC(=O)N[C@H]2CC(=C)OC2=O	1
40	2-[(4R)-4-[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-{[(1,5-dihydroxy-4-oxopyridin-2-yl)methoxy]imino}acetamido]-3-oxo-1,2-oxazolidin-2-yl]-5-oxooxolane-2-carboxylic acid	COVPDB154	Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1[O-])\C(=O)N[C@@H]1CON(C1=O)[C@@]1(CCC(=O)O1)C(O)=O	1
41	2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE	COVPDB551	O=c1c(N)cnc(-c2cccs2)n1CC(=O)N[C@@H](C(C)C)C(=O)C(F)(F)C(=O)NCCN3CCOCC3	1
42	2-(5-AMINO-6-OXO-2-M-TOLYL-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE	COVPDB291	Cc1cccc(c1)-c1ncc(N)c(=O)n1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1	1
43	2-(5-BENZYLAMINO-2-METHYLSULFANYL-6-OXO-6H-PYRIMIDIN-1-YL)-N-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYL]-ACETAMIDE	COVPDB292	CSc1ncc(NCc2ccccc2)c(=O)n1CC(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1	1
44	[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (1~{S},5~{R})-6-[1-(4-fluorophenyl)pyrazol-3-yl]-3-azabicyclo[3.1.0]hexane-3-carboxylate	COVPDB735	Fc1ccc(cc1)-n2ccc(n2)[C@H]3[C@@H]([C@@H]34)CN(C4)C(=O)ON5C(=O)CCC5=O	1
45	2-[5-METHANESULFONYLAMINO-2-(4-AMINOPHENYL)-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL]-N-(3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL)ACETAMIDE	COVPDB1385	CC(C)[C@H](NC(=O)Cn1c(ncc(NS(C)(=O)=O)c1=O)-c1ccc(N)cc1)C(=O)C(F)(F)F	1
46	(2,6-bis[(dimethylamino-kappaN)methyl]-4-{3-[(S)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}phenyl-kappaC~1~)(chloro)platinum(2+)	COVPDB1156	CCO[P@@](=O)(CCCc1cc(CN(C)C)c([Pt]Cl)c(CN(C)C)c1)Oc1ccc(cc1)[N+]([O-])=O	3
47	{[(2,6-difluorophenyl)formamido]methyl}boronic acid	COVPDB1499	OB(O)CNC(=O)c1c(F)cccc1F	1
48	{[(2,6-dimethoxyphenyl)formamido]methyl}boronic acid	COVPDB464	COc1cccc(OC)c1C(=O)NCB(O)O	1
49	[(2-AMINO-ALPHA-METHOXYIMINO-4-THIAZOLYLACETYL)AMINO]METHYLBORONIC ACID	COVPDB663	OB(O)CNC(=O)/C(=N\OC)c1csc(n1)N	1
50	2-boronic acid-1-[(1E)-2-(3-boronic acid)ethenyl]-4-chlorobenzene	COVPDB384	OB(O)c1cccc(c1)/C=C/c2ccc(cc2Cl)B(O)O	1
51	[[2-chloranyl-4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methylboronic acid	COVPDB37	OB(O)CNS(=O)(=O)c1ccc(cc1Cl)-c1nnn[nH]1	1
52	2-CHLOROBENZAMIDOMETHYLBORONIC ACID	COVPDB1496	OB(O)CNC(=O)c1c(Cl)cccc1	1
53	2-[(E)-[1-(2-Amino-1,3-thiazol-4-yl)-2-[[(2S,3S)-2-[[3-(1,5-dihydroxy-4-oxopyridin-2-yl)-1,2-oxazole-5-carbonyl]oxymethyl]-4-oxo-1-sulfoazetidin-3-yl]amino]-2-oxoethylidene]amino]oxy-2-methylpropanoic acid	COVPDB48	CC(C)(O\N=C(\C(=O)N[C@H]1[C@@H](COC(=O)c2cc(no2)-c2cc(=O)c(O)cn2[O-])N(C1=O)S(O)(=O)=O)c1csc(N)n1)C(O)=O	1
54	(2E)-3-[2-(dihydroxyboranyl)-1-benzothiophen-3-yl]prop-2-enoic acid	COVPDB136	OB(O)c1sc2ccccc2c1\C=C\C(O)=O	1
55	[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID	COVPDB1137	OB(O)CNC(=O)c(c(cc1)OCC)c(c12)cccc2	2
56	2-FLUOROBENZAMIDOMETHYLBORONIC ACID	COVPDB1498	OB(O)CNC(=O)c1c(F)cccc1	1
57	2-METHOXYMALONIC ACID	COVPDB737	COC(C(O)=O)C(O)=O	1
58	2-METHYLMALONIC ACID	COVPDB728	CC(C(O)=O)C(O)=O	1
59	[(2R)-1-(L-ALANYL-L-ISOLEUCYL)PYRROLIDIN-2-YL]BORONIC ACID	COVPDB492	CC[C@H](C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1B(O)O	2
60	(2R)-2,3-bis(hexyloxy)propyl 4-nitrophenyl pentylphosphonate	COVPDB612	CCCCCCOC[C@@H](OCCCCCC)CO[P@@](=O)(CCCCC)Oc1ccc([N+]([O-])=O)cc1	1
61	(2R)-2,3-dibutoxypropyl 4-nitrophenyl octylphosphonate	COVPDB138	CCCCCCCC[P@](=O)(Oc1ccc([N+]([O-])=O)cc1)OC[C@H](OCCCC)COCCCC	1
62	(2R)-2,3-dibutoxypropyl 4-nitrophenyl propylphosphonate	COVPDB923	CCCCOC[C@@H](OCCCC)CO[P@@](=O)(CCC)Oc1ccc([N+]([O-])=O)cc1	1
63	[[(2R)-2-[(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino]-4-(4-hydroxyphenyl)butanoyl]amino]methylboronic acid	COVPDB668	Oc1ccc(cc1)CC[C@H](C(=O)NCB(O)O)NC(=O)N2CCN(C(=O)C2=O)CC	1
64	{[(2R)-2-hydroxy-4,5-dioxoheptyl]oxy}phosphonic acid	COVPDB1066	CCC(=O)C(=O)C[C@@H](O)COP(O)(O)=O	1
65	(2S)-1-[(2R)-2-(methylamino)-3-phenyl-propanoyl]-N-[(2S)-4,4,5,5,5-pentafluoro-1-(1H-indol-3-yl)-3-oxo-pentan-2-yl]pyrrolidine-2-carboxamide	COVPDB1090	CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)C(F)(F)C(F)(F)F	1
66	[(2S)-2,3-dihydroxypropoxy]boronic acid	COVPDB129	OC[C@H](O)COB(O)O	1
67	(2S)-4-methyl-2-[(morpholine-4-carbonyl)amino]-N-[(2S)-1-oxo-1-(5-phenyl-1,2,4-oxadiazol-3-yl)butan-2-yl]pentanamide	COVPDB317	c1ccccc1-c2nc(no2)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)N3CCOCC3	1
68	(2S,4R)-1-ACETYL-N-[(1S)-4-[(AMINOIMINOMETHYL)AMINO]-1-(2-BENZOTHIAZOLYLCARBONYL)BUTYL]-4-HYDROXY-2-PYRROLIDINECARBOXAMIDE	COVPDB478	CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1	1
69	(2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile	COVPDB414	OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N	1
70	(2S,5R,6R)-6-[(6S)-6-(2-aminoacetamido)-6-carboxyhexanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	COVPDB901	CC1(C)S[C@@H]2[C@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)C(=O)N2[C@H]1C(O)=O	1
71	(2S,5R,6R)-6-[(6S)-6-amino-6-carboxyhexanamido]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid	COVPDB907	CC1(C)S[C@@H]2[C@H](NC(=O)CCCC[C@H](N)C(O)=O)C(=O)N2[C@H]1C([O-])=O	1
72	(2S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-3-methyl-2-[(2S)-2-(3-phenylpropanamido)-3-(1,3-thiazol-4-yl)propanamido]butanamide	COVPDB1028	CC(C)[C@H](NC(=O)[C@H](Cc1cscn1)NC(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1	1
73	(2S)-N-[(2S)-5-carbamimidamido-1-oxo-1-(1,3-thiazol-2-yl)pentan-2-yl]-2-(carbamoylamino)-3-methylbutanamide	COVPDB299	CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1	1
74	2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(2R,3S)-2-[({[(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)methyl]carbamoyl}amino)methyl]-4-oxo-1-sulfoazetidin-3-yl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid	COVPDB1221	CC(C)(O\N=C(/C(=O)N[C@H]1[C@@H](CNC(=O)NCc2cc(=O)c(O)cn2[O-])N(C1=O)S(O)(=O)=O)c1csc(N)n1)C(O)=O	1
75	[3-(1-aminoisoquinolin-6-yl)phenyl]boronic acid	COVPDB662	OB(O)c1cccc(c1)-c(c2)ccc(c23)c(N)ncc3	1
76	3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid	COVPDB158	N[C@@H](C(=O)N[C@@H](Cc1cccc(c1)C(O)=O)B(O)O)c1ccccc1	2
77	3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid	COVPDB582	OB(O)[C@H](Cc1cccc(c1)C(O)=O)NS(=O)(=O)Cc1ccccc1	1
78	3-{[(2S)-1-[(2S)-2-{[(1S)-1-(diphenoxyphosphoryl)-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}propanoic acid	COVPDB1445	CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1	1
79	3,3-dimethyl-7-oxo-6-[2-(2-oxo-imidazolidin-1-ylamino)-2-phenyl-acetylamino]-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid	COVPDB805	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NN3CCNC3=O)c3ccccc3)C(=O)N2[C@@H]1C(O)=O	1
80	[({3-[(3S,16R,21aS)-1,4,5,14,17-pentaoxo-16-(2-phenylethyl)-icosahydro-1H-pyrrolo[1,2-d]1,4,7,11-tetraazacyclononadecan-3-yl]propyl}amino)(amino)methylidene]azanium	COVPDB102	NC(=N)NCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCc2ccccc2)NC(=O)CCCCCCCNC(=O)C1=O	1
81	3-(4-AMINO-CYCLOHEXYL)-2-OXO-3-[(4-OXO-2-PHENYLMETHANESULFONYL-1,2,3,4-TETRAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBONYL)-AMINO]-PROPIONIC ACID BUTYL ESTER	COVPDB55	CCCCOC(=O)C(=O)[C@@H](NC(=O)c1ccc2CN(CC(=O)n12)S(=O)(=O)Cc1ccccc1)[C@H]1CC[C@H](N)CC1	1
82	3,4-DICHLOROISOCOUMARIN	COVPDB701	c1cccc(c12)c(=O)oc(Cl)c2Cl	1
83	3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-2-METHYL-PROPIONIC ACID	COVPDB708	CCN(CC)c1ccc(\C=C(/C)C(O)=O)c(O)c1	1
84	3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid	COVPDB467	OB(CNS(=O)(=O)Cc1cccc(c1)C(O)=O)OP(O)(O)=O	1
85	(3,5-di-tert-butylphenyl)boronic acid	COVPDB117	OB(O)c1cc(C(C)(C)C)cc(c1)C(C)(C)C	1
86	3a,4,7,7a-tetrahydro-benzo[1,3]dioxol-2-one	COVPDB548	O=C(O1)O[C@@H]([C@@H]12)CC=CC2	1
87	(3aR,7aR)-tetrahydro-2H-[1,2]dithiino[4,5-d][1,3]dioxol-2-one	COVPDB682	O=C(O1)O[C@H]([C@@H]12)CSSC2	6
88	[3-(benzyloxy)-4-methylphenyl]boronic acid	COVPDB378	Cc1ccc(B(O)O)cc1OCc2ccccc2	1
89	(3-bromo-4-methylphenyl)boronic acid	COVPDB377	OB(O)c1ccc(C)c(Br)c1	1
90	(3-bromo-5-phenoxyphenyl)boronic acid	COVPDB376	OB(O)c1cc(cc(Br)c1)Oc2ccccc2	1
91	[3-bromo-5-(pyrrolidin-1-yl)phenyl]boronic acid	COVPDB381	OB(O)c1cc(Br)cc(c1)N2CCCC2	2
92	[({[3-chloro-4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid	COVPDB36	OB(O)CNS(=O)(=O)c1ccc(-c2nnn[nH]2)c(Cl)c1	1
93	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}boronic acid	COVPDB374	OB(O)c1ccc(c(Cl)c1)OCc2ccccc2F	1
94	3-(dihydroxyboranyl)-5-acetamidobenzoic acid	COVPDB1494	CC(=O)Nc1cc(cc(c1)C(O)=O)B(O)O	1
95	3-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid	COVPDB33	OB(O)CNS(=O)(=O)Cc1cccc(c1)C(O)=O	1
96	(3-{[(furan-2-yl)methyl]carbamoyl}phenyl)boronic acid	COVPDB1003	OB(O)c1cccc(c1)C(=O)NCc2ccco2	1
97	3-METHOXY-4-CHLORO-7-AMINOISOCOUMARIN	COVPDB941	CCOc(oc1=O)c(Cl)c(c12)ccc(c2)N	1
98	3-METHOXYPHENYL BORONIC ACID	COVPDB1257	COc1cccc(c1)B(O)O	1
99	3-[[(METHYLAMINO)SULFONYL]AMINO]-2-OXO-6-PHENYL-N-[3,3,3-TRIFLUORO-1-(1-METHYLETHYL)-2-OXOPHENYL]-1(2H)-PYRIDINE ACETAMIDE	COVPDB1386	FC(F)(F)C(=O)[C@H](C(C)C)NC(=O)Cn1c(-c2ccccc2)ccc(c1=O)NS(=O)(=O)NC	1
100	3-nitrophenylboronic acid	COVPDB1151	OB(O)c1cc([N+]([O-])=O)ccc1	2
101	3‐oxopropanoic acid	COVPDB190	OC(=O)CC=O	1
102	[(3R)-1-hydroxy-4,5-dimethyl-6-(pyrazin-2-yloxy)-1,3-dihydro-2,1-benzoxaborol-3-yl]acetic acid	COVPDB205	Cc1c2[C@@H](CC(O)=O)OB(O)c2cc(Oc2cnccn2)c1C	1
103	(3R,3aR,6aS)-3-(prop-2-en-1-yl)-hexahydro-2H-cyclopenta[b]furan-2-one	COVPDB83	C=CC[C@@H](C(=O)O1)[C@H]([C@@H]12)CCC2	1
104	(3R)-3-(cyclohexylcarbonylamino)-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid	COVPDB613	OB1Oc2c(C[C@@H]1NC(=O)C1CCCCC1)cccc2C(O)=O	2
105	(3R,5R)-4-bromo-9-{3-[(R)-ethoxy(4-nitrophenoxy)phosphoryl]propyl}-3,5-dimethyl-3,5-dithia-4-palladatricyclo[5.3.1.0⁴,¹¹]undeca-1(11),7,9-triene-3,5-diium	COVPDB1329	CCO[P@](=O)(CCCc1cc2c3c(c1)C[S@+]([Pd]3([S@@+](C2)C)Br)C)Oc4ccc(cc4)[N+](=O)[O-]	2
106	{(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid	COVPDB206	Cc1c2[C@@H](CC(O)=O)OB(O)c2cc(Oc2nc(N)ns2)c1C	2
107	(3S)-3-(benzylsulfanyl)-2-hydroxy-3,4-dihydro-2H-1,2-benzoxaborinine-8-carboxylic acid	COVPDB1035	OB1Oc2c(C[C@H]1SCc1ccccc1)cccc2C(O)=O	1
108	(3S,4R)-1-TOSYL-3-ETHYL-AZETIDIN-2-ONE-4-CARBOXYLIC ACID	COVPDB127	CC[C@H]1[C@@H](N(C1=O)S(=O)(=O)c1ccc(C)cc1)C(O)=O	1
109	(3S,4S)‐4‐ethyl‐1‐(4‐methylbenzenesulfonyl)‐5‐oxopyrrolidine‐3‐carboxylic acid	COVPDB1394	[H][C@]1(CN(C(=O)[C@@]1([H])CC)S(=O)(=O)c1ccc(C)cc1)C(O)=O	3
110	(3S,4S)‐4‐ethyl‐1‐(4‐nitrobenzenesulfonyl)‐5‐oxopyrrolidine‐3‐carboxylic acid	COVPDB1395	CC[C@H]1[C@@H](CN(C1=O)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O)C(O)=O	3
111	{3-[(tert-butoxycarbonyl)amino]phenyl}boronic acid	COVPDB1002	OB(O)c1cccc(c1)NC(=O)OC(C)(C)C	1
112	3-tert-butyl-4-{[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy}benzoic acid	COVPDB482	CC(C)(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O	1
113	4'-{1-[(2R)-2-phenylpiperidine-1-carbonyl]-1H-1,2,4-triazol-3-yl}-[1,1'-biphenyl]-4-carboxylic acid	COVPDB333	OC(=O)c1ccc(cc1)-c1ccc(cc1)-c1ncn(n1)C(=O)N1CCCC[C@@H]1c1ccccc1	1
114	[[4-(1H-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methylboronic acid	COVPDB38	OB(O)CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1	1
115	[({[4-(1H-tetrazol-5-yl)phenyl]sulfonyl}amino)methyl]boronic acid	COVPDB34	OB(O)CNS(=O)(=O)c1ccc(cc1)-c1nnn[nH]1	1
116	{4‐[(2S)‐2‐{[(1R)‐4‐{[amino(iminio)methyl]amino}‐1‐(dihydroxyboranyl)butyl]carbamoyl}‐2‐(phenylformamido)ethyl]phenyl}methanaminium	COVPDB301	NCc1ccc(C[C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](CCCNC(N)=N)B(O)O)cc1	1
117	4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide	COVPDB1064	NC(=N)c1ccc(NC[C@@H]2Cc3ccccc3B(O)O2)cc1	1
118	4,4'-BIPHENYLDIBORONIC ACID	COVPDB550	OB(O)c1ccc(cc1)-c2ccc(cc2)B(O)O	1
119	4,4-Dimethyl-2-((1-(4-nitrobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-1,2-thiazetidin-3-one 1,1-dioxide	COVPDB962	CC1(C)C(=O)N(S1(=O)=O)Cc2cn(nn2)Cc3ccc([N+]([O-])=O)cc3	1
120	4-Amino-5-fluoro-2-methyl-3-(3-trifluoroacetylbenzylthiomethyl)quinoline	COVPDB786	Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(c1)C(=O)C(F)(F)F	1
121	{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid	COVPDB1004	OB(O)c1ccc(cc1)S(=O)(=O)N2CCC2	1
122	{4-[(carbamimidoylsulfanyl)methyl]phenyl}boronic acid	COVPDB967	NC(=N)SCc1ccc(cc1)B(O)O	1
123	4-CARBOXYPHENYLboronic acid	COVPDB223	OB(O)c1ccc(cc1)C(O)=O	1
124	4-(carboxyvin-2-yl)phenylboronic acid	COVPDB658	OB(O)c1ccc(\C=C\C(O)=O)cc1	1
125	4-chloro-3-{[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy}benzoic acid	COVPDB480	OC(=O)c1ccc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1	1
126	4-CHLORO-3-ETHOXY-7-GUANIDINO-ISOCOUMARIN	COVPDB863	CCOc1oc(=O)c2cc(NC(N)=N)ccc2c1Cl	1
127	4-(dihydroxyboranyl)-2-[[4-(phenylsulfonyl)thiophen-2-yl]sulfonylamino]benzoic acid	COVPDB621	OB(O)c1ccc(C(O)=O)c(NS(=O)(=O)c2cc(cs2)S(=O)(=O)c2ccccc2)c1	1
128	4-(dihydroxyboranylmethylsulfamoylmethyl)benzoic acid	COVPDB581	OB(O)CNS(=O)(=O)Cc1ccc(cc1)C(O)=O	1
129	4‐ethyl‐4‐methylcyclohexan‐1‐one	COVPDB744	CCC1(C)CCC(=O)CC1	4
130	4-(Ethyl(methyl)carbamoyl)phenyl boronic acid	COVPDB1409	OB(O)c1ccc(cc1)C(=O)N(C)CC	1
131	4-(guanidinomethyl)-phenylboronic acid	COVPDB899	NC(=[NH2+])NCc1ccc(cc1)B(O)O	1
132	4-IODO-ACETAMIDO PHENYLBORONIC ACID	COVPDB936	OB(O)c1cccc(c1)NC(=O)CI	2
133	4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide	COVPDB429	CC(C)CCC(=O)N[C@H](C(C)C)C(=O)N[C@H](CCCNC(N)=N)C(=O)c1nccs1	1
134	4-methylumbelliferyl hexylphosphonate	COVPDB1094	CCCCCC[P@@](=O)(OC)Oc(c1)ccc(c12)c(C)cc(o2)=O	1
135	4-nitrophenyl tetradecyl (3-azidopropyl)phosphonate	COVPDB87	CCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1	1
136	4-Oxo-N,N,N-Trimethylpentanaminium	COVPDB628	CC(=O)CCC[N+](C)(C)C	4
137	4-piperidinebutyric acid	COVPDB602	OC(=O)CCCN1CCCCC1	1
138	5-[(3R,3aS,8aS)-5-(4-hydroxyphenyl)-2-oxo-2H,3H,3aH,8H,8aH-indeno[2,1-b]furan-3-yl]pentanimidamide	COVPDB64	NC(=N)CCCC[C@@H]1[C@@H]2[C@H](Cc3ccc(cc23)-c2ccc(O)cc2)OC1=O	1
139	5-[(3R,3aS,8aS)-6-(3-methoxyphenyl)-2-oxo-2H,3H,3aH,8H,8aH-indeno[2,1-b]furan-3-yl]pentanimidamide	COVPDB65	COc1cccc(c1)-c1ccc2[C@H]3[C@H](Cc2c1)OC(=O)[C@@H]3CCCCC(N)=N	1
140	[5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid	COVPDB898	OB(O)c(s1)cc(c12)cc(cc2)C[NH3+]	1
141	(5R)-(6Z)-6-(5,6-dihydro-8H-imidazo[2,1-c][1,4]oxazin-2-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-3-carboxylic acid	COVPDB1458	OC(=O)C1=CN2[C@H](S1)\C(=C/c1cn3CCOCc3n1)C2=O	2
142	[({[6-(1H-tetrazol-5-yl)pyridin-3-yl]sulfonyl}amino)methyl]boronic acid	COVPDB35	OB(O)CNS(=O)(=O)c1ccc(nc1)-c1nnn[nH]1	1
143	6-[2-(3-biphenyl-4-ylpropanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid	COVPDB781	OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCc1ccc(cc1)-c1ccccc1	1
144	6-[2-(4-ethyl-2,3-dioxo-piperazin-1-ylamino)-2-phenyl-acetylamino]-3,3,-dimethyl-7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid	COVPDB646	CCN1CCN(N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O	1
145	6-[2-(7-phenylheptanoyl)-1,3-oxazol-5-yl]pyridine-2-carboxylic acid	COVPDB782	OC(=O)c1cccc(n1)-c1cnc(o1)C(=O)CCCCCCc1ccccc1	1
146	6alpha-(hydroxymethyl)penicillanic acid	COVPDB497	[O-]C(=O)[C@H]1C(C)(C)S[C@@H](N12)[C@H](C2=O)CO	1
147	6ALPHA-(HYDROXYPROPYL)PENICILLANATE	COVPDB500	CC(C)(O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O	1
148	6-aminopenicillian	COVPDB1461	CC1(C)S[C@@H]2[C@H](N)C(=O)N2[C@H]1C(O)=O	1
149	6beta-(1-hydroxy-1-methylethyl) penicillanic acid	COVPDB915	CC(C)(O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O	1
150	 6-beta-Iodopenicillanate	COVPDB564	CC1(C)S[C@@H]2[C@H](I)C(=O)N2[C@H]1C(O)=O	2
151	6-diazo-5-oxo-l-norleucine	COVPDB410	N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O	12
152	(6-Phenoxy-1,2,3,4-tetrahydronaphthalen-2-yl)(5-(pyridin-2-yl)oxazol-2-yl)methanone	COVPDB1183	c1cccnc1-c2oc(nc2)C(=O)[C@H](C3)CCc(c34)cc(cc4)Oc5ccccc5	1
153	(6R,7R)-3-[(3S)-3-[(4R)-4-carboxy-4-acetamidobutanamido]-3-{[(1R)-1-{[(1R)-1-carboxyethyl]carbamoyl}ethyl]carbamoyl}propyl]-8-oxo-7-(2-phenylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	COVPDB633	C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](CCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1ccccc1)C2=O)C(O)=O)NC(=O)CC[C@@H](NC(C)=O)C(O)=O)C(O)=O	1
154	(6R,7R)-3-[(acetyloxy)methyl]-7-[(6S)-6-amino-6-carboxyhexanamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	COVPDB906	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCCC[C@H](N)C(O)=O)C2=O)C(O)=O	1
155	(6R,7R)-3-[(ACETYLOXY)METHYL]-7-{[(6S)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-8-OXO-5-THIA-1-AZABICYCLO[4.2.0]OCTANE-2-CARBOXYLATE	COVPDB886	CC(=O)OC[C@H]1CS[C@@H]2[C@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)C(=O)N2[C@@H]1C(O)=O	1
156	7,7-Dichloro-3alpha-methoxy-2-thiabicyclo[3.2.0]heptan-6-one-4-carboxylic Acid	COVPDB1058	CO[C@H]1S[C@H]2[C@@H]([C@H]1C(O)=O)C(=O)C2(Cl)Cl	1
157	7-AMINO-3-(2-BROMOETHOXY)-4-CHLOROISOCOURMARIN	COVPDB939	c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCBr	1
158	7-AMINO-3-(2-PHENYLETHOXY)-4-CHLOROISOCOUMARIN	COVPDB1328	c1cc(N)cc(c12)c(=O)oc(c2Cl)OCCc3ccccc3	1
159	7-hydroxycoumarin	COVPDB1320	Oc(c1)ccc(c12)ccc(o2)=O	1
160	7-phenyl-1-[4-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one	COVPDB1297	c1cccnc1-c2coc(n2)C(=O)CCCCCCc3ccccc3	1
161	7-phenyl-1-[5-(pyridin-2-yl)-1,3,4-oxadiazol-2-yl]heptan-1-one	COVPDB986	c1cccnc1-c2oc(nn2)C(=O)CCCCCCc3ccccc3	1
162	(8R,9R)-10(S)-[1(R)-Hydroxyethyl]-4(R)-butoxy-11-oxo-1-azatricyclo[7.2.0 .03,8]undec-2-enecarboxylic acid	COVPDB1067	CCCCO[C@@H]1CCC[C@H]2[C@H]3[C@@H](CC)C(=O)N3C(C(O)=O)=C12	1
163	(8S,9R)-10(E)-Ethylidene-4(S)-methoxy-11-oxo-1-azatricyclo[7.2.0.03,8]undec -2-enecarboxylic acid	COVPDB1068	CO[C@@H]1CCC[C@H]2[C@@H]3N(C(=O)\C3=C\C)C(C(O)=O)=C12	1
164	(9Z)-1-(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)octadec-9-en-1-one	COVPDB1012	CCCCCCCC/C=C\CCCCCCCC(=O)c1nnc(o1)-c2ccccn2	1
165	A-230 nerve agent	COVPDB1045	CCN(CC)C(\C)=N\[P@@](C)(F)=O	1
166	A-232 nerve agent	COVPDB1043	CCN(CC)/C(C)=N/[P@](=O)(F)OC	3
167	AC-(D)PHE-PRO-BOROARG-OH	COVPDB710	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)B(O)O	1
168	AC-(D)PHE-PRO-BOROHOMOLYS-OH	COVPDB699	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCCN)B(O)O	1
169	AC-(D)PHE-PRO-BOROHOMOORNITHINE-OH	COVPDB700	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)B(O)O	1
170	AC-(D)PHE-PRO-BOROLYS-OH	COVPDB697	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)B(O)O	1
171	AC-(D)PHE-PRO-BORO-N-BUTYL-AMIDINO-GLYCINE-OH	COVPDB698	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCC(N)=N)B(O)O	1
172	ACETYLCHOLINE	COVPDB481	CC(=O)OCC[N+](C)(C)C	1
173	Ac-Leu-Phe-CF3	COVPDB1074	CC(C)C[C@H](NC(=O)C)C(=O)N[C@H](C(=O)C(F)(F)F)Cc1ccccc1	1
174	Ac-RVRHA-CONH-(2,4-dimethyl)benzyl	COVPDB1454	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)C(=O)NCc1cc(C)ccc1C	1
175	ADENOSINE MONOPHOSPHATE	COVPDB499	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	13
176	AEBSF	COVPDB487	NCCc1ccc(cc1)S(F)(=O)=O	3
177	alpha-D-glucose	COVPDB1515	OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O	4
178	Amoxicillin	COVPDB516	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O	3
179	AMPICILLIN	COVPDB493	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O	8
180	Antipain	COVPDB1174	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)N[C@@H](Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCCNC(N)=N)C=O	1
181	ATMO-penicillin	COVPDB1219	CO\N=C(/C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)c1csc(N)n1	1
182	avibactam	COVPDB1157	[C@@H]12CC[C@@H](C(=O)N)N(C1)C(=O)N2OS([O-])(=O)=O	30
183	AZLOCILLIN	COVPDB254	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCNC3=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O	1
184	Aztreonam	COVPDB520	C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O	6
185	BAL30072	COVPDB155	CC1(C)[C@H](NC(=O)C(=N/OCc2cc(=O)c(O)cn2[O-])\c2csc(N)n2)C(=O)N1OS(O)(=O)=O	1
186	BCL-1-(R)	COVPDB139	[O-][N+](=O)c1ccc(cc1)O[P@@](=O)(CCCCCC)OC[C@H](C)Cc2ccccc2	1
187	BCL-1-(S)	COVPDB140	[O-][N+](=O)c1ccc(cc1)O[P@@](=O)(CCCCCC)OC[C@@H](C)Cc2ccccc2	1
188	BENZO[B]THIOPHENE-2-boronic acid	COVPDB596	OB(O)c(c1)sc(c12)cccc2	5
189	benzyl N-[(1S)-1-[bis(4-methanesulfonylphenoxy)phosphoryl]-2-phenylethyl]carbamate	COVPDB932	CS(=O)(=O)c1ccc(cc1)OP(=O)(Oc2ccc(cc2)S(=O)(=O)C)[C@@H](Cc3ccccc3)NC(=O)OCc4ccccc4	1
190	benzyl N-[(1S)-5-amino-1-{[(1S)-1-{[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1-oxohexan-2-yl]carbamoyl}-3-phenylpropyl]carbamoyl}pentyl]carbamate	COVPDB532	NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)c1nc2ccccc2o1	1
191	benzyl N-[(2R)-1-[(2S,4R)-2-{[(2S)-6-amino-1-(1,3-benzoxazol-2-yl)-1-oxohexan-2-yl]carbamoyl}-4-[(4-methylphenyl)methoxy]pyrrolidin-1-yl]-1-oxo-4-phenylbutan-2-yl]carbamate	COVPDB530	Cc1ccc(CO[C@@H]2C[C@H](N(C2)C(=O)[C@@H](CCc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](CCCCN)C(=O)c2nc3ccccc3o2)cc1	1
192	beta-D-glucose	COVPDB560	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O1)O	15
193	biapenem	COVPDB1517	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SC3CN4C=NC=[N+]4C3)=C(N2C1=O)C(O)=O	1
194	BMS-262084	COVPDB66	CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N1[C@@H]([C@@H](CCCNC(N)=N)C1=O)C(O)=O	1
195	Boc-ALA2-ALA1-NHO-Nb	COVPDB543	CC(C)(C)OC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NOC(=O)c1ccc([N+]([O-])=O)cc1	2
196	Boc-Ala-Ala-Pro-(OPh)Pval-Lac-Ala-OMe	COVPDB1242	CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C)[P@@](=O)(O[C@@H](C)C(=O)N[C@@H](C)C(O)=O)Oc1ccccc1	2
197	BOROLOG2	COVPDB1330	BrC(Br)CC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CCCC=O)Cc2ccccc2	1
198	bortezomib	COVPDB574	c1ccccc1C[C@@H](C(=O)N[C@H](B(O)O)CC(C)C)NC(=O)c2cnccn2	6
199	BRL42715	COVPDB787	Cn1cc(\C=C2\[C@H]3SC=C(N3C2=O)C(O)=O)nn1	1
200	butylboronic acid	COVPDB590	OB(O)CCCC	1
201	BUTYRIC ACID	COVPDB589	CCCC(O)=O	1
202	C11P	COVPDB1109	CCCCCCCCCCC[P@@](=O)(OC)Oc1ccc([N+]([O-])=O)cc1	1
203	C11Y4	COVPDB598	CCCCCCCCCCC[P@@](=O)(OCCCC)Oc1ccc([N+]([O-])=O)cc1	1
204	Camostat	COVPDB81	CN(C)C(=O)COC(=O)Cc1ccc(OC(=O)c2ccc(NC(N)=N)cc2)cc1	1
205	carbenicillin	COVPDB626	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O	3
206	CB2	COVPDB1184	NCc1ccc(cc1)C(=O)N[C@H]1Cc2cccc(C(O)=O)c2OB1O	1
207	CBAP	COVPDB576	CC1(C)S[C@@H]2[C@H](NC(=O)c3ccccc3-c3ccccc3C(O)=O)C(=O)N2[C@H]1C(O)=O	1
208	Cefamandole	COVPDB1462	Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O	1
209	cefapirin	COVPDB640	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CSc1ccncc1)C2=O)C(O)=O	1
210	cefixime	COVPDB1158	Nc1nc(cs1)C(=N\OCC(O)=O)\C(=O)N[C@H]1[C@H]2SCC(C=C)=C(N2C1=O)C(O)=O	1
211	CEFOPERAZONE	COVPDB253	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SCC(CSc4nnnn4C)=C(N3C2=O)C(O)=O)c2ccc(O)cc2)C(=O)C1=O	1
212	cefotaxime	COVPDB632	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)c1csc(N)n1	21
213	cefoxitin	COVPDB85	CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O	6
214	Ceftaroline	COVPDB491	CCO\N=C(/C(=O)N[C@H]1[C@H]2SCC(Sc3nc(cs3)-c3cc[n+](C)cc3)=C(N2C1=O)C(O)=O)c1nsc(N)n1	3
215	ceftazidime	COVPDB624	CC(C)(O\N=C(/C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O	9
216	ceftobiprole	COVPDB1275	Nc1nc(ns1)C(=N\O)\C(=O)N[C@H]1[C@H]2SCC(\C=C3/CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O	3
217	Ceftriaxone	COVPDB821	Nc1nc(cs1)/C(=N/OC)C(=O)N[C@H](C2=O)[C@H](N23)SCC(=C3C([O-])=O)CSc4nc(=O)c(=O)[n-]n4C	3
218	Cefuroxime	COVPDB635	CO\N=C(\C(=O)N[C@H]1[C@H]2SCC(COC(N)=O)=C(N2C1=O)C(O)=O)c1ccco1	3
219	CENTA	COVPDB293	O=[N+]([O-])c1ccc(cc1C(=O)[O-])SCC(CS2)=C(C(=O)[O-])N([C@H]23)C(=O)[C@H]3NC(=O)Cc4cccs4	2
220	cephaloridine	COVPDB631	OC(=O)C1=C(C[n+]2ccccc2)CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12	7
221	cephalosporin C	COVPDB32	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC[C@@H](N)C(O)=O)C2=O)C(O)=O	1
222	Cephalotin	COVPDB435	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O	9
223	(chloromethylsulfonylamino)methylboronic acid	COVPDB39	OB(O)CNS(=O)(=O)CCl	2
224	Clavatadine A	COVPDB954	NC(=N)NCCCCNC(=O)Oc1c(Br)cc(O)c(CC(O)=O)c1Br	1
225	CLAVULANATE	COVPDB634	OC\C=C1/O[C@@H]2CC(=O)N2[C@H]1C(O)=O	11
226	cloxacillin	COVPDB664	Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1Cl	3
227	CR161	COVPDB1265	OB(CNS(=O)(=O)c1ccc(nc1)-c1nnn[nH]1)OP(O)(O)=O	1
228	CYCLOTHEONAMIDE A	COVPDB656	NC(=N)NCCC[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](CNC(=O)\C=C/[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)C1=O)NC=O	1
229	DCM-1-10	COVPDB84	CC(=O)OCC1=C(N2[C@@H](\C(=C/C(=O)OC(C)(C)C)C2=O)S(=O)(=O)C1)C(O)=O	1
230	D-glucuronic acid	COVPDB552	O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O	1
231	dicloxacillin	COVPDB727	Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1c(Cl)cccc1Cl	1
232	diethyl-4-methylumbelliferyl phosphate 	COVPDB712	CCOP(=O)(OCC)OCc(cc1)cc(c12)oc(=O)cc2C	1
233	DIHYDROXY-[[(2-NITROPHENYL)CARBONYLAMINO]METHYL]BORON	COVPDB1497	OB(O)CNC(=O)c1ccccc1[N+]([O-])=O	2
234	Diisopropyl fluorophosphate	COVPDB959	CC(C)OP(F)(=O)OC(C)C	6
235	DIISOPROPYL PHOSPHATE	COVPDB690	CC(C)OP(O)(=O)OC(C)C	11
236	diphenyl [(3R,4S)-4-hydroxy-3-methyl-2-oxohexyl]phosphonate	COVPDB1237	c1ccccc1OP(=O)(CC(=O)[C@H](C)[C@@H](O)CC)Oc2ccccc2	1
237	Diphenyl (3R,4S,5S,7R)-4,8-dihydroxy-3,5,7-trimethyl-2-oxooctylphosphonate	COVPDB1490	OC[C@H](C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)CP(=O)(Oc1ccccc1)Oc2ccccc2	1
238	diphenyl {[(4S,5R,6S)-6-ethyl-2,2,5-trimethyl-1,3-dioxan-4-yl]methyl}phosphonate	COVPDB1239	CC1(C)O[C@@H](CC)[C@@H](C)[C@H](O1)CP(=O)(Oc2ccccc2)Oc3ccccc3	1
239	D-LEUCINE	COVPDB707	CC(C)C[C@@H](N)C(O)=O	1
240	dodecyl 4-nitrophenyl (3-azidopropyl)phosphonate	COVPDB86	CCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1	1
241	doripenem	COVPDB230	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@H](CNS(N)(=O)=O)C3)=C(N2C1=O)C(O)=O	10
242	D-PHENYLALANINE	COVPDB713	N[C@H](Cc1ccccc1)C(O)=O	1
243	D-PHENYLALANYL-N-[(1S)-4-{[(Z)-AMINO(IMINO)METHYL]AMINO}-1-(CHLOROACETYL)BUTYL]-L-PROLINAMIDE	COVPDB689	N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)CCl)C(=O)[C@@H]1CCCN1	1
244	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-oxohexan-3-yl]-L-prolinamide	COVPDB17	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	3
245	(D)PHE-PRO-BOROPHE(M-CN)	COVPDB1235	N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1cccc(c1)C#N)B(O)O	1
246	DVR-II-41S	COVPDB717	NC(=O)\C=C\C1=C(N2[C@@H](\C(=C/c3ccccn3)C2=O)S(=O)(=O)C1)C(O)=O	1
247	(~{E})-3-[2-(dihydroxyboranyl)phenyl]prop-2-enoic acid	COVPDB337	OB(O)c1ccccc1\C=C\C(O)=O	2
248	(~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid	COVPDB1040	OB(O)c1cccc(\C=C\C(O)=O)c1	1
249	EC04	COVPDB455	OB(O)[C@H](Cc1cccc(c1)C(O)=O)NC(=O)Cc1cccs1	1
250	Echothiophate	COVPDB754	CCOP(=O)(OCC)SCC[N+](C)(C)C	2
251	Ertapenem	COVPDB89	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)NC3=CC=CC(=C3)C(O)=O)=C(N2C1=O)C(O)=O	6
252	ETX1317	COVPDB1460	CC1=C[C@H](N2C[C@H]1N(O[C@H](F)C(O)=O)C2=O)C(N)=O	1
253	ETX2514	COVPDB1005	CC1=C[C@H]2CN([C@@H]1C(N)=O)C(=O)N2OS(O)(=O)=O	2
254	Faropenem	COVPDB268	C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(O)=O	6
255	FLOMOX	COVPDB820	Nc1nc(cs1)/C(=C/CC)C(=O)N[C@H](C2=O)[C@H](N23)SCC(COC(=O)N)=C3C(=O)OCOC(=O)C(C)(C)C	1
256	FPI-1465	COVPDB284	OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NO[C@H]2CCNC2)C1=O	1
257	FPI-1523	COVPDB283	CC(=O)NNC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O	2
258	FPI-1602	COVPDB286	OS(=O)(=O)ON1[C@@H]2CN([C@H](CC2)C(=O)NNC(=O)C2CNC2)C1=O	1
259	FPyne	COVPDB1303	CCO[P@@](=O)(F)CCCCCCCCCCOC(=O)NCCCCCC#C	1
260	FR130180 	COVPDB813	FC(F)(F)C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(C(=O)[O-])cc2	1
261	FR136706	COVPDB811	CC(C)[C@H](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F	1
262	gabexate	COVPDB859	CCOC(=O)c1ccc(OC(=O)CCCCCNC(N)=N)cc1	1
263	Ganstigmine	COVPDB877	CCc1ccccc1NC(=O)Oc(c2)ccc(c2[C@@]34C)N(C)[C@H]3ON(C)CC4	1
264	GB0301	COVPDB667	Oc1ccc(cc1)[C@H](C(=O)NCB(O)O)NC(=O)n2ccn(c(=O)c2=O)CC	1
265	Glutamatic acid	COVPDB871	N[C@@H](CCC(O)=O)C(O)=O	2
266	GR133487	COVPDB875	O[C@H]1[C@H](O)[C@@H](O)[C@H](CO)O[C@@H]1OC(=O)[C@](C)([C@@H](CC2)OC(=O)C)[C@@H]([C@]23C)CC=C4[C@@H]3C[C@H](O)[C@]5(C)[C@]4(CO)C[C@H]6[C@H]5[C@H](C(O6)=O)CC(=O)C=C(C)C	1
267	GR157368	COVPDB60	NC(=N)CCCC[C@@H]1[C@@H]2CCC[C@H]2OC1=O	1
268	GR179849	COVPDB874	CCN(CC)C(=O)c1cccc(c1)-c1ccc2[C@@H]3[C@H](Cc2c1)OC(=O)[C@@H]3CCCCC(N)=N	1
269	GR24	COVPDB1188	CC1=C[C@H](OC1=O)O/C=C(/C(=O)O2)[C@H]([C@H]23)Cc4c3cccc4	1
270	GSK3448330A	COVPDB1065	NC(=N)c1ccc(cc1)[C@@H]1Cc2ccccc2B(O)O1	1
271	GW311616A	COVPDB287	CC(C)[C@H]1[C@H]2[C@@H](CCN2C(=O)\C=C\CN2CCCCC2)N(C1=O)S(C)(=O)=O	1
272	H-Bz-DPP	COVPDB630	N[C@H](c1ccc(cc1)C(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1	1
273	H-diaziflurane	COVPDB688	FC(F)(F)COC(F)(F)F	1
274	hexadecane sulfonyl fluoride	COVPDB900	CCCCCCCCCCCCCCCCS(F)(=O)=O	5
275	hexadecyl 4-nitrophenyl (3-azidopropyl)phosphonate	COVPDB88	CCCCCCCCCCCCCCCCO[P@@](=O)(CCCN=[N+]=[N-])Oc1ccc([N+]([O-])=O)cc1	1
276	IC-1	COVPDB148	OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CC[C@H](C(C)(C)C)N2C(=O)CCCc3ccccc3	1
277	IC-2	COVPDB149	OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCC=C2C(=O)NCc3ccccc3	1
278	IC-3	COVPDB150	c1ccccc1CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	1
279	IC-4	COVPDB151	OCC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)NCc3ccccc3	1
280	IDFP	COVPDB1392	CC(C)O[P@@](=O)(F)CCCCCCCCCCC=C	1
281	Imipenem	COVPDB942	C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O	23
282	isatoic anhydride	COVPDB1321	O=c1oc(=O)[nH]c(c12)cccc2	1
283	JM102	COVPDB225	CCC1(CC)C(=O)N(C1=O)c2ccc(C)nc2	1
284	KK052	COVPDB1025	c1ccccc1N2CCN(CC2)C(=O)n3ccnn3	1
285	KK073	COVPDB438	FC(F)(F)c1ccc(cc1)N2CCN(CC2)C(=O)n3ccnn3	1
286	KK094	COVPDB1038	c1cccc(c12)N(CC2)C(=O)n3ccnn3	1
287	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	COVPDB1325	CC(=O)NC[C@H](B(O)O)c(ccc1)c(c12)cccc2	1
288	lactacystin	COVPDB1056	CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C(=O)SC[C@H](NC(C)=O)C(O)=O	1
289	Lactivicin	COVPDB1046	CC(=O)N[C@H]1CON(C1=O)[C@@]1(CCC(=O)O1)C(O)=O	1
290	L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-oxoethyl]butyl}glycinamide	COVPDB18	N[C@@H](CCC(O)=O)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	1
291	LMC188	COVPDB922	CC1(C)C(=O)N(S1(=O)=O)Cc2cn(nn2)Cc3ccc(Cl)cc3	1
292	LN-1-255	COVPDB1070	C[C@]1(COC(=O)Cc2ccc(O)c(O)c2)[C@@H](N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C(O)=O	1
293	LORACARBEF	COVPDB1073	N[C@@H](C(=O)N[C@H]1[C@H]2CCC(Cl)=C(N2C1=O)C(O)=O)c1ccccc1	1
294	LP06	COVPDB625	CC(C)(O\N=C(\C(=O)NCB(O)O)c1csc(N)n1)C(O)=O	9
295	L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID	COVPDB1435	CC(=O)NC[C@H](B(O)O)c1ccc(Cl)cc1	1
296	L-Pyroglutamylglycyl-L-arginine-p-nitroanilide	COVPDB388	NC(=N)NCCC[C@H](NC(=O)CNC(=O)[C@@H]1CCC(=O)N1)C(=O)Nc1ccc(cc1)[N+]([O-])=O	1
297	M-AMINOPHENYLBORONIC ACID	COVPDB502	OB(O)c1cccc(c1)N	3
298	MC-1	COVPDB1412	CC(C)(O\N=C(/C(=O)N[C@H]1CN(C(=O)NS(=O)(=O)n2nc(-c3cc(=O)c(O)c[nH]3)n(C[C@@H](O)CO)c2=O)C1=O)c1csc(N)n1)C(O)=O	1
299	m-carboxyphenyl [[N-[(p-iodophenyl)acetyl]amino]methyl]phosphonate	COVPDB957	OC(=O)c1ccc(cc1)P(O)(=O)CNC(=O)Cc1ccc(I)cc1	1
300	MDL 101,146	COVPDB1304	FC(F)(F)C(F)(F)C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)N3CCOCC3	1
301	ME_096	COVPDB1229	Cc1ccc(cc1)S(=O)(=O)NCc1cn(CB(O)OP(O)(O)=O)nn1	1
302	Mecillinam	COVPDB693	CC1(C)S[C@@H]2[C@H](\N=C\N3CCCCCC3)C(=O)N2[C@H]1C(O)=O	1
303	meropenem	COVPDB724	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@@H]3CN[C@@H](C3)C(=O)N(C)C)=C(N2C1=O)C(O)=O	19
304	Methicillin	COVPDB352	COc1cccc(OC)c1C(=O)N[C@H](C2=O)[C@H](N23)SC(C)(C)[C@@H]3C([O-])=O	1
305	METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID	COVPDB527	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)B(O)O	5
306	METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID	COVPDB529	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C	4
307	methoxysuccinyl-alanyl-alanyl-prolyl-alanine chloromethyl ketone	COVPDB498	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)CCl	3
308	methyl 4-[({[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate	COVPDB476	COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1	1
309	METHYL 4-NITROPHENYL HEXYLPHOSPHONATE	COVPDB1093	CCCCCC[P@@](=O)(OC)Oc1ccc([N+]([O-])=O)cc1	1
310	METHYL ARACHIDONYL FLUOROPHOSPHONATE	COVPDB1088	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC[P@@](=O)(F)OC	1
311	methyl (R)-(6Z,9Z,12Z)-octadeca-6,9,12-trien-1-ylphosphonofluoridate	COVPDB356	CCCCC/C=C/C/C=C\C/C=C\CCCCC[P@](=O)(F)OC	1
312	m-(N,N,N-trimethylammonio)trifluoroacetophe	COVPDB1135	C[N+](C)(C)c1cccc(c1)C(=O)C(F)(F)F	1
313	MOL-127	COVPDB3	NC(=N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nccs1	1
314	MOL-168	COVPDB51	NC(=N)NCCC[C@H](NC(=O)[C@@H]1CC[C@@H]2CC[C@](N)(Cc3ccccc3)C(=O)N12)C(=O)c1nc2ccccc2s1	1
315	monobactam L29	COVPDB1050	c1ccccc1OC(=O)N2[C@H](CC2=O)c3ccccc3	2
316	monobactam L61	COVPDB1047	CC(C)COC(=O)N1[C@H](CC1=O)c2ccccc2	1
317	monobactam L62	COVPDB1048	C1CCCC1OC(=O)N2[C@H](CC2=O)c3ccccc3	1
318	MOR-LEU-HPQ	COVPDB19	CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCCN)P(=O)(Oc1ccccc1)Oc1ccccc1	1
319	Moxalactam	COVPDB191	CO[C@]1(NC(=O)[C@@H](C(O)=O)c2ccc(O)cc2)[C@H]2OCC(CSc3nnnn3C)=C(N2C1=O)C(O)=O	4
320	MPC-1	COVPDB1245	CC1(C)S[C@@H]2[C@@H]([C@H](O)CCc3cccs3)C(=O)N2[C@H]1C(O)=O	1
321	MS05	COVPDB593	SC[C@@H](C)C(=O)N[C@H](B(O)O)Cc1ccccc1	1
322	MXG	COVPDB1115	C[C@H](NC(C)=O)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H]1[C@H]2SCC(OC(C)=O)=C(N2C1=O)C(O)=O)C(O)=O	1
323	N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE	COVPDB575	C[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(O)=O)B(O)O	1
324	N-[(1R)-1-borono-3-methylbutyl]-N~2~-(2-chloro-4-methoxybenzene-1-carbonyl)-L-leucinamide	COVPDB1000	CC(C)C[C@@H](B(O)O)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(cc1Cl)OC	1
325	N-((1R,2S)-2-allyl-4-oxocyclobutyl)-4-methylbenzenesulfonamide	COVPDB41	Cc1ccc(cc1)S(=O)(=O)N[C@@H]2[C@H](CC2=O)CC=C	1
326	N-{2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl}guanidine	COVPDB213	CC1(C)OB(OC1(C)C)c1ccc(CCNC(N)=N)cc1	1
327	N-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACID	COVPDB657	OB(O)CNC(=O)Cc1cccs1	1
328	N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]guanidine	COVPDB216	CC1(C)OB(OC1(C)C)c1ccc(NC(N)=N)cc1	1
329	N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-prolinamide	COVPDB570	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)CC(C)C	5
330	N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)pentyl]-L-prolinamide	COVPDB573	CCCC[C@@H](B(O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC	4
331	N4-(N,N-DIPHENYLCARBAMOYL)-AMINOGUANIDINE	COVPDB237	c1ccccc1N(C(=O)NN=C(N)N)c2ccccc2	1
332	N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID	COVPDB54	OB(O)CNC(=O)c1c(C)onc1-c2ccccc2Cl	3
333	N-acetyl-L-alanyl-L-alanyl-N-[(2S)-1-oxopropan-2-yl]-L-prolinamide	COVPDB123	O=C(C)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1[C@@H](CCC1)C(=O)N[C@H](C=O)C	1
334	Nafcillin	COVPDB1142	CCOc1ccc2ccccc2c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O	3
335	Nalpha-(N,N-dimethylcarbamoyl)-alpha-azalysinep-nitrophenyl ester	COVPDB950	CN(C)C(=O)NN(CCCCN)C(=O)Oc1ccc(cc1)[N+]([O-])=O	1
336	naphthalen-2-ylboronic acid	COVPDB375	OB(O)c(c1)ccc(c12)cccc2	1
337	N-benzoyl-beta-sultam	COVPDB579	O=S1(=O)CCN1C(=O)c2ccccc2	1
338	N-BENZOYL-D-ALANINE	COVPDB1295	C[C@@H](NC(=O)c1ccccc1)C(O)=O	1
339	N-benzoyl-L-norleucyl-6-ammonio-L-norleucyl-N~5~-[amino(iminio)methyl]-N-[(2S)-5-carbamimidamido-1-oxopentan-2-yl]-L-ornithinamide	COVPDB1175	CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C=O	2
340	N-Benzylcarbamoyl-4-phenylsulfonylazetidin-2-one 	COVPDB971	c1ccccc1CNC(=O)N2[C@H](CC2=O)S(=O)(=O)c3ccccc3	1
341	N-[(benzyloxy)carbonyl]glycyl-N-[(2S,3R)-4-chloro-3-oxo-1-phenylbutan-2-yl]glycinamide	COVPDB1483	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)CNC(=O)CNC(=O)OCc2ccccc2	1
342	N-carbobenzoxy-L-alanine p-nitrophenyl ester	COVPDB544	[O-][N+](=O)c1ccc(cc1)OC(=O)[C@H](C)NC(=O)OCc2ccccc2	1
343	N-[(dihydroxyboranyl)methyl]-Nalpha-[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]-D-tyrosinamide	COVPDB669	Oc1ccc(cc1)C[C@H](C(=O)NCB(O)O)NC(=O)N2CCN(C(=O)C2=O)CC	1
344	N-Formyl 7-Aminocephalosporanic Acid	COVPDB153	CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC=O)C2=O)C(O)=O	1
345	NITROCEFIN	COVPDB1139	OC(=O)C1=C(CS[C@@H]2[C@H](NC(=O)Cc3cccs3)C(=O)N12)\C=C\c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O	2
346	N-((R)-1-(4-bromophenyl)ethyl)urea-Asn-Val-Arg-alpha-ketothiazole	COVPDB591	CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)[C@H]1NC=CS1	1
347	N-((tert-butoxycarbonyl)alanylprolylphenylalanyl)-0-benzoylhydroxylamine	COVPDB14	CC(C)(C)OC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)NOC(=O)c3ccccc3	1
348	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide	COVPDB15	CC(C)[C@@H](B(O)O)N(C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCN1	1
349	N-(tert-butoxycarbonyl)-L-alanyl-N-[(1S)-5-amino-1-(diethoxyboranyl)pentyl]-L-valinamide	COVPDB53	CCOB(OCC)[C@@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C	1
350	N-(tert-butoxycarbonyl)-L-alanyl-N-{(1S)-5-ammonio-1-[hydroxy(3-hydroxypropoxy)boranyl]pentyl}-L-valinamide	COVPDB52	CC(C)[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CCCCN)B(O)OCCCO	2
351	N-(tert-butoxycarbonyl)-L-alpha-glutamyl-N-[(1R)-1-(carboxycarbonyl)-3,3-difluoropropyl]-L-leucinamide	COVPDB169	CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(F)F)C(=O)C(O)=O	2
352	n-undecyl O-methyl phosphorochloridate	COVPDB711	CCCCCCCCCCC[P@@](Cl)(=O)OC	1
353	OL-135	COVPDB578	BrCc1ccc(nc1)-c2cnc(o2)C(=O)CCCCCCc3ccccc3	1
354	O-methylsuccinyl-alanyl-alanyl-prolyl-borophenylalanine	COVPDB528	COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)Cc2ccccc2	5
355	Omuralide	COVPDB1316	O=C1O[C@@H]([C@@H](C)C(=O)N2)[C@]12[C@@H](O)C(C)C	1
356	ONO-6818	COVPDB298	CC(C)(C)c1oc(nn1)C(=O)[C@H](C(C)C)NC(=O)Cn2c(=O)c(N)cnc2-c3ccccc3	1
357	OP0595	COVPDB1186	NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(O)(=O)=O	2
358	O-[(R)-IPG] O-(p-nitrophenyl) hex-6-e	COVPDB1280	CC1(C)OC[C@H](O1)CO[P@](=O)(CCCCC=C)Oc2ccc([N+]([O-])=O)cc2	1
359	Orlistat	COVPDB694	CCCCCCCCCCC[C@H](OC(=O)[C@@H](NC=O)CC(C)C)C[C@@H]1OC(=O)[C@H]1CCCCCC	3
360	O-[(S)-IPG] O-(p-nitrophenyl)hex-6-e	COVPDB1313	CC1(C)OC[C@@H](O1)CO[P@](=O)(CCCCC=C)Oc2ccc([N+]([O-])=O)cc2	1
361	Oxacillin	COVPDB90	Cc1onc(c1C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)-c1ccccc1	4
362	p-Amidinophenylpyruvate	COVPDB501	NC(=N)c1ccc(CC(=O)C(O)=O)cc1	2
363	penem 1	COVPDB68	OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cc2CSCn2n1	1
364	PENICILLIN G	COVPDB1232	CC1(C)S[C@@H]2[C@H](NC(=O)Cc3ccccc3)C(=O)N2[C@H]1C(O)=O	10
365	penicillin V	COVPDB176	CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(O)=O	2
366	PETFP	COVPDB924	c1ccccc1CCSCC(=O)C(F)(F)F	1
367	PF-3845	COVPDB1224	FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(CC3)C(=O)Nc4cccnc4	1
368	PFC_001	COVPDB1207	OB(Cn1cc(CNS(=O)(=O)CC(F)(F)F)nn1)OP(O)(O)=O	1
369	PHCH2OCO-D-DPA-PRO-BOROMPG	COVPDB1341	COCCC[C@H](NC(=O)c1cccn1C(=O)[C@H](NC(=O)N1CCOCC1)C(c1ccccc1)c1ccccc1)B(O)O	1
370	PHENOXYACETYL LACTIVICIN	COVPDB1231	OC(=O)[C@@]1(CCC(=O)O1)N1OC[C@H](NC(=O)COc2ccccc2)C1=O	1
371	PHENYLACETAMIDOMETHYL BORONIC ACID	COVPDB808	OB(O)CNC(=O)Cc1ccccc1	1
372	phenylalanyl chloromethylketone	COVPDB1222	ClCC(=O)[C@@H](N)Cc1ccccc1	2
373	PHENYL BORONIC ACID	COVPDB1216	OB(O)c1ccccc1	5
374	phenyl glycyl-l-alpha-aminopimelyl-epsilon-(d-2-aminoethyl)phosphonate	COVPDB1277	C[C@@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)P(O)(=O)Oc1ccccc1	1
375	(phenylmethylsulfonylamino)methylboronic acid	COVPDB580	OB(O)CNS(=O)(=O)Cc1ccccc1	2
376	phosphoethanolamine	COVPDB1187	NCCOP(O)(O)=O	1
377	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)-2-(trifluoromethyl)phenyl]sulfonylamino]methyl]borinic acid	COVPDB466	OB(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1nnn[nH]1)OP(O)(O)=O	1
378	phosphonooxy-[[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]sulfonylamino]methyl]borinic acid	COVPDB468	OB(CNS(=O)(=O)c1ccc(cc1)-c1nnn[nH]1)OP(O)(O)=O	1
379	Pinacol 5-Diformylaminomethylbenzo[b]thiophen-2-ylboronate	COVPDB1441	OB(O)c(s1)cc(c12)cc(cc2)CN(C=O)C=O	1
380	piperacillin	COVPDB994	CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O	4
381	p-nitrophenyl guanidinobenzoate	COVPDB849	NC(=N)Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+]([O-])=O	4
382	p-nitrophenyl [N-(benzyloxycarbonyl)aminomethyl]phosphonate	COVPDB807	OP(=O)(CNC(=O)OCc1ccccc1)Oc1ccc(cc1)[N+]([O-])=O	2
383	p-Nitrophenyl o-Hydroxy-alpha-methylcinnamate	COVPDB1173	C\C(=C/c1ccccc1O)C(=O)Oc1ccc(cc1)[N+]([O-])=O	1
384	PRC1214	COVPDB583	CCC(CC)n1cc(cn1)C(=O)C(F)F	1
385	PROPYL ACETATE	COVPDB240	CCCOC(=O)C	2
386	PSEUDOTYROSTATIN	COVPDB1401	Oc1ccc(cc1)C[C@H](NC(=O)CC(C)C)C(=O)N[C@H](C=O)Cc2ccc(O)cc2	1
387	PSR3-226	COVPDB1324	C[C@@]1([C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O)C(=O)OCC(N)=O	1
388	PSR-3-283A	COVPDB188	CC1(C)[C@@H](N2[C@@H]([C@H](CO)C2=O)S1(=O)=O)C(O)=O	1
389	PSR-4-157	COVPDB126	C[C@]1(COC(=O)CCCCC(O)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O	1
390	p-Tolylmethanesulfonyl fluoride	COVPDB1443	Cc1ccc(CS(F)(=O)=O)cc1	1
391	QPX7728	COVPDB1284	OB1Oc2c(ccc(F)c2C(O)=O)[C@H]2C[C@@H]12	2
392	(R)‐1,2‐dibutyl‐carbamoylglycero‐3‐O‐p‐nitrophenylbutyl‐phosphonate	COVPDB1379	CCCCNC(=O)OC[C@@H](OC(=O)NCCCC)CO[P@@](=O)(CCCC)Oc1ccc([N+]([O-])=O)cc1	1
393	RC-(RP,SP)-1,2-dibutylcarbamoyl-glycero-3-O-p-nitrophenyl butylphosphonate	COVPDB629	CCCCC(=O)OCC(COC(=O)CCCC)O[P@@](=O)(CCCC)Oc1ccc([N+]([O-])=O)cc1	1
394	relebactam	COVPDB989	OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NC2CCNCC2)C1=O	10
395	RIVASTIGMINE	COVPDB761	CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)N(C)C	1
396	(RP,SP)-O-(2R)-(1-PHENOXYBUT-2-YL)-METHYLPHOSPHONIC ACID CHLORIDE	COVPDB955	O=[P@](Cl)(C)O[C@H](CC)COc1ccccc1	1
397	Ruthenocenyl-7-Aminocephalosporanic Acid	COVPDB1382	[Ru]123456789[C]%10[C]1[C]2[C]3[C]4%10.CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)CCC(=O)C51[C]6[C]7[C]8[C]91)C2=O)C(O)=O	1
398	Ruthenocenyl-7-Aminodesacetoxycephalosporanic Acid	COVPDB396	[Ru]123456789C%10(C(CCC(N[C@H]%11[C@@H]%12N(C(=C(CS%12)C)C(O)=O)C%11=O)=O)=O)[C]1[C]2[C]3[C]4%10.[C]51[C]6[C]7[C]8[C]91	1
399	RWJ-30353	COVPDB4	N[C@H](Cc1ccccc1)C(=O)N([C@@H](CCCNC(N)=N)C(=O)c1nc2ccccc2s1)C(=O)[C@@H]1CCCN1	1
400	RWJ-51084	COVPDB1292	NC(=N)NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1	1
401	RWJ-51438	COVPDB99	CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nc2ccc(cc2s1)C(O)=O	1
402	S02030	COVPDB1511	O=C([O-])c1nnn(c1)C[C@@H](B(O)O)NC(=O)Cc2cccs2	2
403	S03043	COVPDB456	OB(O)[C@H](Cn1cc(nn1)-c1cccc(c1)C(O)=O)NC(=O)Cc1cccs1	1
404	S06015	COVPDB768	O=P([O-])([O-])OB(O)Cn1cc(nn1)-c2ccsc2	1
405	S17079	COVPDB1024	OB(Cn1cc(nn1)-c1cccc(c1)C(O)=O)OP(O)(O)=O	1
406	S17083	COVPDB1230	NC(=O)c1cccc(c1)-c1cn(CB(O)OP(O)(O)=O)nn1	1
407	(S)-2-(3-((R)-1-(4-BROMOPHENYL)ETHYL)UREIDO)-N-((S)-1-((S)-5-GUANIDINO-1-OXO-1-(THIAZOL-2-YL)PENTAN-2-YLAMINO)-3-METHYL-1-OXOBUTAN-2-YL)-5-UREIDOPENTANAMIDE	COVPDB173	CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)c1nccs1	1
408	(S)-2-acetamido-6-amino-N-((S)-5-guanidino-1-oxopentan-2-yl)hexanamide	COVPDB362	CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C=O	2
409	SA1-204	COVPDB67	C[C@]1(COC(=O)Cc2ccccc2)[C@@H](N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C(O)=O	1
410	SA2-13	COVPDB1298	C[C@]1(COC(=O)CCCC(O)=O)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O	4
411	SA3-53	COVPDB1114	C[C@]1(COC(=O)NCCN)[C@@H](N2[C@@H](\C(=C/c3ccccn3)C2=O)S1(=O)=O)C(O)=O	2
412	SA4-17	COVPDB1113	C[C@]1(COC(N)=O)[C@@H](N2[C@@H](\C(=C/c3cc(ccn3)C(N)=O)C2=O)S1(=O)=O)C(O)=O	1
413	SA4-44	COVPDB1116	COC(=O)Nc1ccnc(\C=C2/[C@@H]3N([C@@H](C(O)=O)C(C)(C)S3(=O)=O)C2=O)c1	1
414	SAR127303	COVPDB294	FC(F)(F)C(C(F)(F)F)OC(=O)N1CCC(CC1)CNS(=O)(=O)c2ccc(Cl)cc2	1
415	Saxagliptin	COVPDB568	N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2	1
416	saxagliptin M2	COVPDB617	N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@]12C[C@H]3C[C@](O)(C[C@](O)(C3)C1)C2	1
417	Serine protease inhibitor BEZ-NLE-LYS-ARG-M9P	COVPDB1086	CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)C(F)(F)F	2
418	(S)-(methyl 4-nitrophenyl [(R)-methoxy(phenyl)methyl]phosphonate)	COVPDB935	c1ccccc1[C@H](OC)[P@](=O)(OC)Oc2ccc([N+]([O-])=O)cc2	1
419	Soman	COVPDB851	CC(C)(C)[C@H](C)O[P@@](F)(=O)C	4
420	Suc-Ala-Ala-Pro-Phe-chloromethylketone	COVPDB1011	C[C@H](NC(=O)CCC(O)=O)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl	3
421	Suc-Val-Pro-PheP-(OPh)2	COVPDB101	CC(C)[C@H](NC(=O)CCC(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1	1
422	SULBACTAM	COVPDB1398	CC1(C)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O	4
423	TA1	COVPDB1390	CCO[P@@](=O)(C#N)N(CC)CC	2
424	TA4	COVPDB1378	CCO[P@@](F)(=O)NC	1
425	TA5	COVPDB1391	CCN[P@@](F)(=O)OCC	1
426	TA6	COVPDB1380	CCCN[P@@](F)(=O)OCC	1
427	Tabun	COVPDB508	CCO[P@@](=O)(C#N)N(C)C	3
428	TAFC	COVPDB806	C/C1=C/C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC/C(C)=C\C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC/C(C)=C\C(=O)N(O)CCC[C@@H](NC(=O)C)C(=O)OCC1	1
429	Taniborbactam	COVPDB1034	NCCN[C@@H]1CC[C@H](CC(=O)N[C@H]2Cc3cccc(C(O)=O)c3OB2O)CC1	4
430	TAZOBACTAM	COVPDB1377	O=C(C1)N([C@@H]12)[C@@H](C([O-])=O)[C@](S2(=O)=O)(C)Cn3ccnn3	6
431	Tebipenem	COVPDB1383	CC(C)(C)C(=O)OCOC(=O)C1=C([C@H](C)[C@@H](N12)[C@H](C2=O)[C@@H](C)O)SC3CN(C3)C4=NCCS4	1
432	Telaprevir	COVPDB801	C1CC1NC(=O)C(=O)[C@H](CCC)NC(=O)[C@H]([C@H]([C@H]23)CCC3)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C4CCCCC4)NC(=O)c5cnccn5	6
433	temocillin	COVPDB1388	CO[C@]1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O	2
434	tert-Butyl ((1-((3S,5S)-5-((S)-2-Cyanopyrrolidine-1-carbonyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)carbamate	COVPDB990	CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@@H](C(=O)N3CCC[C@H]3C#N)N(C2)C(=O)CCCc4ccccc4	1
435	tert-butyl (1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)carbamate	COVPDB968	C1OB(O)c(c12)cc(cc2)NC(=O)OC(C)(C)C	1
436	tert-butyl (3-methyl-5-methylene-2-oxotetrahydrofuran-3-yl)carbamate	COVPDB1179	CC(C)(C)OC(=O)N[C@@]1(C)CC(=C)OC1=O	1
437	tert-butyl N-[(1R)-1-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate	COVPDB1199	CC(C)(C)OC(=O)N[C@H](C(C)C)c1nnc(o1)S(=O)(=O)Cc2c(F)cccc2Cl	1
438	tert-butyl N-[(1S)-1-{5-[(2-chloro-6-fluorophenyl)methanesulfonyl]-1,3,4-oxadiazol-2-yl}-2-methylpropyl]carbamate	COVPDB1200	CC(C)(C)OC(=O)N[C@@H](C(C)C)c1nnc(o1)S(=O)(=O)Cc2c(F)cccc2Cl	1
439	ticarcillin	COVPDB1471	CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](C(O)=O)c3ccsc3)C(=O)N2[C@H]1C(O)=O	1
440	TLCK	COVPDB644	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	3
441	tosyl fluoride	COVPDB1399	Cc1ccc(S(F)(=O)=O)cc1	1
442	TRI166	COVPDB1333	CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCSC(N)=N)B(O)O	1
443	tridecylboronic acid	COVPDB522	OB(O)CCCCCCCCCCCCC	1
444	TYROSTATIN	COVPDB1402	Oc1ccc(cc1)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CC(C)C)Cc2ccc(O)cc2	1
445	uPA-I2	COVPDB1314	CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C=O	1
446	uPA-I4	COVPDB1315	NC(=N)NCCC[C@H](NC(=O)CN1c2ccccc2C(=N[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)c1ccccc1)C=O	1
447	uPA-I6	COVPDB1306	C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C=O	1
448	URB597	COVPDB1180	NC(=O)c1cccc(c1)-c2cc(ccc2)OC(=O)NC3CCCCC3	2
449	Vaborbactam	COVPDB224	OB1O[C@H](CC(O)=O)CC[C@@H]1NC(=O)Cc1cccs1	3
450	Val-BoroPro	COVPDB869	CC(C)[C@@H](N)C(=O)N1CCC[C@H]1B(O)O	1
451	vildagliptin	COVPDB1061	OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N	2
452	VX	COVPDB1452	CCO[P@](C)(=O)SCCN(C(C)C)C(C)C	9
453	WAY185229	COVPDB1457	OC(=O)C1=CS[C@H]2N1C(=O)\C2=C\c1cn2c3CCCc3sc2n1	2
454	WCK 4234	COVPDB619	OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C#N)C1=O	2
455	WCK 5107	COVPDB618	OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCCNC2)C1=O	1
456	WCK 5153	COVPDB620	OS(=O)(=O)ON1[C@H]2CN([C@@H](CC2)C(=O)NNC(=O)[C@@H]2CCNC2)C1=O	1
457	WL-001	COVPDB562	SC[C@@H](C)C(=O)N[C@H](B(O)O)c1ccc(F)cc1	2
458	Z-(4-AmPhGly)P(OPh)2	COVPDB1501	NC(=N)c1ccc(cc1)[C@H](NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1	2
459	ZAIB	COVPDB40	CC[C@H](C)[C@@H](B(O)O)NC(=O)[C@H](C)NC(=O)OCc1ccccc1	1
460	Z-ALA PROLINAL	COVPDB1500	c1ccccc1COC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C=O	5
461	Z-d-Dpa-Pro-Mpgp(OPh)2	COVPDB1223	c1ccccc1OP(=O)(Oc2ccccc2)[C@@H](CCCOC)NC(=O)[C@@H]3CCCN3C(=O)[C@@H](C(c4ccccc4)c5ccccc5)NC(=O)OCc6ccccc6	1
462	Z-Leu-Leu-Leu-B(OH)2	COVPDB642	CC(C)C[C@@H](B(O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2