Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	(10R,11S,13R)-2,12,15,15-tetramethyl-11-phenyl-14-oxa-5,6-dithia-2,9,12-triazahexadecane-10,13-diol	COVPDB842	CN(C)CCSSCCNC(=O)[C@@H](N(C)C(=O)OC(C)(C)C)c1ccccc1	1
2	11-(decyldithiocarbonyloxy)-undecanoic acid	COVPDB673	CCCCCCCCCCSSC(=O)OCCCCCCCCCCC(O)=O	1
3	1-[(1S)-1-(chloromethyl)-5-hydroxy-1H,2H,3H-benzo[e]indol-3-yl]hexan-1-one	COVPDB1017	CCCCCC(=O)N1C[C@@H](CCl)c(c12)c3c(c(c2)O)cccc3	3
4	1-[(2-chloroquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid	COVPDB133	Cc1cc2c(c(C(O)=O)n(Cc3cc4ccccc4nc3Cl)c2cc1F)-c1ccc[nH]c1=O	1
5	1,2-diheptanoyl-sn-glycero-3-phosphocholine	COVPDB1312	CCCCCCC(=O)OC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC	1
6	1-[3-[4-[2-[[4-chloranyl-5-(1-methylcyclopropyl)-2-oxidanyl-phenyl]amino]ethanoyl]piperazin-1-yl]azetidin-1-yl]prop-2-en-1-one	COVPDB282	CC1(CC1)c1cc(NCC(=O)N2CCN(CC2)C2CN(C2)C(=O)C=C)c(O)cc1Cl	1
7	1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone	COVPDB236	CC(=O)c1cccc(c1)-n2c(nnn2)S(=O)(=O)Cc3cccc(Cl)c3	1
8	1-[(3aR,7aR)-1-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}-octahydro-1H-pyrrolo[2,3-c]pyridin-6-yl]prop-2-en-1-one	COVPDB369	C=CC(=O)N(C1)CC[C@H]([C@H]12)CCN2c3ncnc(c34)[nH]cc4	1
9	1-[(3R)-3-{3-[1-(4-acetylphenyl)-1H-1,2,3-triazol-4-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-1-yl}piperidin-1-yl]prop-2-en-1-one	COVPDB392	CC(=O)c1ccc(cc1)-n2cc(nn2)-c3nn(c(c34)ncnc4N)[C@@H]5CCCN(C5)C(=O)C=C	1
10	1-[(3R)-3-[4-amino-3-(4-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	COVPDB964	Oc1ccc(cc1)-c2nn(c(c23)ncnc3N)[C@@H]4CCCN(C4)C(=O)C=C	1
11	1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one	COVPDB390	Cn1ccnc1COc2ccc(cc2Cl)-c(c(c34)c(N)ncn4)nn3[C@@H]5CCCN(C5)C(=O)C=C	1
12	1-[(3R)-3-({7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)piperidin-1-yl]prop-2-en-1-one	COVPDB368	C=CC(=O)N1CCC[C@H](C1)Nc2ncnc(c23)[nH]cc3	1
13	1-[4-(2-{[(2S)-1-methylpyrrolidin-2-yl]methoxy}-7-(naphthalen-1-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]prop-2-en-1-one	COVPDB1081	CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cccc2ccccc12	1
14	1-(4-{2-[(4,5-dichloro-2-methoxyphenyl)amino]acetyl}piperazin-1-yl)prop-2-en-1-one	COVPDB113	COc1cc(Cl)c(Cl)cc1NCC(=O)N2CCN(CC2)C(=O)C=C	1
15	1-[4-(3-chlorophenyl)piperazin-1-yl]-4-{[2-(dimethylamino)ethyl]disulfanyl}butan-1-one	COVPDB124	CN(C)CCSSCCCC(=O)N1CCN(CC1)c1cccc(Cl)c1	1
16	1-{4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl}-3-{[2-(dimethylamino)ethyl]disulfanyl}propan-1-one	COVPDB1032	CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c1ccc(Cl)c(c1)C(F)(F)F	1
17	1-{4-[6-chloro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one	COVPDB1096	c1n[nH]c(c12)ccc(C)c2-c(c(Cl)c3)cc(c34)ncnc4N5CCN(CC5)C(=O)C=C	1
18	1-{4-[6-chloro-8-fluoro-7-(2-fluoro-6-hydroxyphenyl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one	COVPDB420	Oc1cccc(F)c1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C	1
19	1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}prop-2-en-1-one	COVPDB415	c1n[nH]c(c12)ccc(C)c2-c(c3F)c(Cl)cc(c34)c(ncn4)N5CCN(CC5)C(=O)C=C	1
20	1-{4-[7-chloro-6-(2-fluoro-6-hydroxyphenyl)-4-phenylphthalazin-1-yl]piperazin-1-yl}prop-2-en-1-one	COVPDB1182	Oc1cccc(F)c1-c(c(Cl)c2)cc(c23)c(-c4ccccc4)nnc3N5CCN(CC5)C(=O)C=C	1
21	1-(4-(7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one	COVPDB1016	C=CC(=O)N1CCN(CC1)c1ncnc2CN(CCc12)c1cccc2ccccc12	1
22	1-(4-ethyl-1,2,3,4-tetrahydroquinoxalin-1-yl)prop-2-en-1-one	COVPDB463	c1cccc(c12)N(C(=O)C=C)CCN2CC	1
23	1-(4-ethylbenzene)prop-2-en-1-one	COVPDB934	CCc1ccc(cc1)C(=O)C=C	1
24	[1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE	COVPDB815	c1cn[nH]c1NC(=O)C(=O)[C@H](CCCC)NC(=O)OCC2(CCC2)Cc3ccc(F)cc3	1
25	1,5-BIS(N-BENZYLOXYCARBONYL-L-LEUCINYL)CARBOHYDRAZIDE	COVPDB953	c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
26	15-deoxy-delta12,14-prostaglandin J2	COVPDB1241	CCCCC\C=C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O	1
27	15-oxo-eicosatetraenoic acid	COVPDB1176	CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(O)=O	1
28	1-[(7R)-16-chloro-15-(5-methyl-2H-indazol-4-yl)-9-oxa-2,5,12-triazatetracyclo[8.8.0.0²,⁷.0¹³,¹⁸]octadeca-1(18),10,12,14,16-pentaen-5-yl]prop-2-en-1-one	COVPDB1095	c1[nH]nc(c12)ccc(C)c2-c(c(Cl)c3)cc(c34)ncc5c4N6[C@@H](CO5)CN(CC6)C(=O)C=C	1
29	1-azanyl-~{N}-[(1~{R},2~{R})-1-cyano-2-[4-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]phenyl]cyclopropyl]cyclohexane-1-carboxamide	COVPDB894	CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)-c1ccc(cc1)[C@H]1C[C@]1(NC(=O)C1(N)CCCCC1)C#N	1
30	1H-benzimidazol-2-ylmethanethiol	COVPDB167	c1cccc(c12)nc([nH]2)CS	1
31	1-(N-BENZYLOXYCARBONYL-L-LEUCINYL)-5-(3-BENZYLOXY BENZOYL)CARBOHYDRAZIDE	COVPDB951	c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)NNC(=O)c2cccc(c2)OCc3ccccc3	1
32	1-phenyl-2-propen-1-one	COVPDB931	C=CC(=O)c1ccccc1	1
33	1-(PHENYLMETHYL)CYCLOPENTYL[(1S)-1-FORMYLPENTYL]CARBAMATE	COVPDB655	CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)Cc2ccccc2	1
34	(1R)-2,2-DIMETHYL-1-({5-[4-(TRIFLUOROMETHYL)PHENYL]-1,3,4-OXADIAZOL-2-YL}METHYL)PROPYL (1S)-1-{OXO[(2-OXO-1,3-OXAZOLIDIN-3-YL)AMINO]ACETYL}PENTYLCARBAMATE	COVPDB184	O=C1OCCN1NC(=O)C(=O)[C@H](CCCC)NC(=O)O[C@@H](C(C)(C)C)Cc2nnc(o2)-c3ccc(C(F)(F)F)cc3	1
35	(1R)-2-(4-chlorophenoxy)-1-[(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)(methyl)amino]-2-methylpropan-1-ol	COVPDB832	CN(C)CCSSCCN(C)C(=O)C(C)(C)Oc1ccc(Cl)cc1	1
36	(1R)-2-METHYL-1-(PHENYLMETHYL)PROPYL[(1S)-1-FORMYLPENTYL]CARBAMATE	COVPDB654	CCCC[C@@H](C=O)NC(=O)O[C@@H](C(C)C)Cc1ccccc1	1
37	(1R,2R,4R)-4-Benzenesulfonyl-2-(morpholine-4-carbonyl)-cyclopentanecarboxylic Acid Cyanomethyl-amide 	COVPDB1264	N#CCNC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N3CCOCC3	1
38	(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide	COVPDB29	Fc1ccc(cc1)N2CCN(CC2)C(=O)[C@@H]3CCCC[C@H]3C(=O)NC4(C#N)CC4	1
39	(1R,2R)-N-(1-cyanocyclopropyl)-2-[(8-fluoro-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)carbonyl]cyclohexanecarboxamide	COVPDB30	Fc(c1)ccc(c12)[nH]c3c2CN(CC3)C(=O)[C@@H]4CCCC[C@H]4C(=O)NC5(C#N)CC5	1
40	(1R,2R)-N-[(1E,3S)-1-(benzenesulfonyl)hept-1-en-3-yl]-2-(4-chlorobenzoyl)cyclohexane-1-carboxamide	COVPDB116	c1ccccc1S(=O)(=O)/C=C/[C@H](CCCC)NC(=O)[C@@H]2CCCC[C@H]2C(=O)c3ccc(Cl)cc3	1
41	(1R,2R)-N-(Cyanomethyl)-5,5-difluoro-[4'-(methylthio)-1,1'-biphenyl-2-yl]cyclohexanecarboxamide	COVPDB1149	COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCC#N	1
42	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB534	CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	1
43	(1R,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB512	CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	1
44	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB1083	O[C@@H]([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC1CCCCC1)NC(=O)OCc1ccccc1)S(O)(=O)=O	2
45	(1R,4Z)-cyclooct-4-en-1-yl N-(4-{4-[(5-chloro-4-{[2-(prop-2-enamido)phenyl]amino}pyrimidin-2-yl)amino]pyridin-2-yl}but-3-yn-1-yl)carbamate	COVPDB326	C=CC(=O)Nc1ccccc1Nc2nc(ncc2Cl)Nc3ccnc(c3)C#CCCNC(=O)O[C@@H]4CCC/C=C\CC4	1
46	(1S)-1-[(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)amino]-2,2-diphenylpropan-1-ol	COVPDB843	CN(C)CCSSCCNC(=O)C(C)(c1ccccc1)c1ccccc1	1
47	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB1127	CCC1(CCN(CC1)C(=O)OC(C)(C)C)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(O)(=O)=O	1
48	(1S,2S)-2-[(N-{[2-(3-chlorophenyl)ethoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB513	CC(C)C[C@H](NC(=O)OCCc1cccc(Cl)c1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	2
49	(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB1267	CC(C)C[C@H](NC(=O)OCC1CCC(F)(F)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	4
50	(1S,2S)-2-{[N-({[4-benzyl-1-(tert-butoxycarbonyl)piperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB531	CC(C)C[C@H](NC(=O)OC1(Cc2ccccc2)CCN(CC1)C(=O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(O)(=O)=O	1
51	(1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide	COVPDB969	c1ccccc1[C@H]2C[C@@H]2C(=O)NNC(=O)CCl	1
52	2-(1,4,5,6-tetrahydropyrimidin-2-yl)benzenethiol	COVPDB776	Sc1ccccc1C1=NCCCN1	1
53	(2-{[2-({1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}formamido)ethyl]disulfanyl}ethyl)trimethylazanium	COVPDB105	C[N+](C)(C)CCSSCCNC(=O)C1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl	1
54	2-({2',3',4'-trifluoro-[1,1'-biphenyl]-2-yl}oxy)acetaldehyde	COVPDB1384	Fc1ccc(c(F)c1F)-c2ccccc2OCC=O	1
55	2,2'-ethyne-1,2-diylbis{5-[(chloroacetyl)amino]benzenesulfonic acid	COVPDB774	OS(=O)(=O)c1cc(NC(=O)CCl)ccc1C#Cc1ccc(NC(=O)CCl)cc1S(O)(=O)=O	1
56	2-((2-naphthoyl)-L-valyl)-4-hydroxy-N-((3S)-2-hydroxy-5-oxotetrahydrofuran-3-yl)-2-azabicyclo[2.2.2]octane-3-carboxamide	COVPDB1455	c1cccc(c12)ccc(c2)C(=O)N[C@@H](C(C)C)C(=O)N([C@@H](CC3)CC[C@@]34O)[C@H]4C(=O)N[C@H]5CC(=O)O[C@@H]5O	1
57	2-(2-phosphono-ethyl)-acrylic acid 4-nitro-phenyl ester	COVPDB666	OP(O)(=O)CCC(=C)C(=O)Oc1ccc(cc1)[N+]([O-])=O	1
58	2-[(2~{S},6~{R})-2,6-dimethylpiperidin-1-yl]-8-nitro-6-(trifluoromethyl)-1,3-benzoxazin-4-one	COVPDB822	C[C@H]1CCC[C@@H](C)N1c1nc(=O)c2cc(cc([N+]([O-])=O)c2o1)C(F)(F)F	1
59	(2-{[3-({1-[2-(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}carbamoyl)propyl]disulfanyl}ethyl)trimethylazanium	COVPDB104	C[N+](C)(C)CCSSCCCC(=O)NC1CCN(CC1)C(=O)COc2ccc(Cl)cc2Cl	1
60	2-(3,4-dichlorophenyl)-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)acetamide	COVPDB856	C[NH+](C)CCSSCCNC(=O)Cc1ccc(Cl)c(Cl)c1	1
61	2-((3-acrylamidophenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid	COVPDB889	OC(=O)c1ccnc2cc(sc12)[C@H](OCCN1CCCCC1)c1cccc(NC(=O)C=C)c1	1
62	2-(3-chloro-2-fluorophenyl)-2,3-dihydro-1,2-thiazol-3-one	COVPDB469	Fc1c(Cl)cccc1NC(=O)CCS	1
63	2,3-Dihexanoyl-sn-glycerol	COVPDB192	CCCCCC(=O)OC[C@@H](CO)OC(=O)CCCCC	2
64	2-(4-chlorophenoxy)-N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-2-methylpropanamide	COVPDB853	CN(C)CCSSCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1	1
65	2-(4-chlorophenoxy)-N-(3-{[2-(dimethylamino)ethyl]disulfanyl}propyl)-2-methylpropanamide	COVPDB852	CN(C)CCSSCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1	1
66	2,4-diamino-6-(3-formylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	COVPDB1206	O=Cc1cccc(c1)-c([nH]2)c(C#N)c(c23)c(N)nc(n3)N	1
67	2-(4-methylpiperazin-1-yl)-3-(phenylsulfanyl)naphthalene-1,4-dione	COVPDB453	c1ccccc1SC(C(=O)c(c23)cccc2)=C(C3=O)N4CCN(C)CC4	1
68	2-(4-phenoxyphenoxy)-6-[(1S,4S)-5-(prop-2-enoyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyridine-3-carboxamide	COVPDB865	C=CC(=O)N(C[C@H]12)[C@@H](C1)CN2c3ccc(C(=O)N)c(n3)Oc4ccc(cc4)Oc5ccccc5	1
69	2-[5-bromo-3-(5-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-1H-indol-1-yl]-N-[1-(prop-2-enoyl)azetidin-3-yl]acetamide	COVPDB1166	COc1cccc(c12)CN(CC2)C(=O)c3cn(c(c34)ccc(Br)c4)CC(=O)NC5CN(C5)C(=O)C=C	1
70	2-[5-chloro-2-cyclopropyl-3-(5-methoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonyl)-7-methyl-1H-indol-1-yl]-N-[1-(prop-2-enoyl)azetidin-3-yl]acetamide	COVPDB1165	COc1cccc(c12)CN(CC2)C(=O)c3c(C4CC4)n(c(c35)c(C)cc(Cl)c5)CC(=O)NC6CN(C6)C(=O)C=C	1
71	2,5-dibromo-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]benzene-1-sulfonamide	COVPDB1080	N#CN1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2cc(Br)ccc2Br	1
72	2-amino-4-chloro-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide	COVPDB209	Nc1cc(Cl)ccc1C(=O)NC2(C(=O)NCC#N)CCCCC2	1
73	2-Amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	COVPDB1155	C1CCCN1c(nc(n2)N)c(c23)c(C#N)c([nH]3)-c4cc(C=O)ccc4	1
74	2-azido-N-(2-{[2-(2-azidoacetamido)ethyl]disulfanyl}ethyl)acetamide	COVPDB679	[N-]=[N+]=NCC(=O)NCCSSCCNC(=O)CN=[N+]=[N-]	1
75	2C07	COVPDB421	COc1ccc(cc1)-n1ncc(C(=O)NCCCSSCCN(C)C)c1C(F)(F)F	3
76	2-chloranyl-~{N}-[4-[(2-chloranyl-5-oxidanyl-phenyl)amino]quinazolin-7-yl]ethanamide	COVPDB383	ClCC(=O)Nc(c1)ccc(c12)c(ncn2)Nc3cc(O)ccc3Cl	1
77	2-chloro-1-(1H-indol-3-yl)ethanone	COVPDB168	c1cccc(c12)[nH]cc2C(=O)CCl	1
78	2-chloro-N-[(1S)-1-formylpropyl]-3-(trifluoromethyl)benzamide	COVPDB1167	CC[C@@H](C=O)NC(=O)c1cccc(c1Cl)C(F)(F)F	1
79	2-chloro-N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}acetamide	COVPDB269	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)CCl)n2)cc1	1
80	2-chloro-N-{4-chloro-3-[(morpholin-4-yl)sulfonyl]phenyl}acetamide	COVPDB1475	ClCC(=O)Nc1ccc(Cl)c(c1)S(=O)(=O)N2CCOCC2	1
81	2-chloro-N-(4-chloro-3-(N-(2-methoxyethyl)-N-methylsulfamoyl)phenyl)acetamide	COVPDB1192	COCCN(C)S(=O)(=O)c1c(Cl)ccc(c1)NC(=O)CCl	1
82	2-chloro-N-(4-chloro-3-(N-isopropylsulfamoyl)phenyl)acetamide	COVPDB1195	CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl	1
83	(2E)-2-[(E)-(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl]-4,4-dimethylpent-2-enenitrile	COVPDB222	CC(C)(C)/C=C(\C#N)C(=O)N1CCC[C@H](C1)n2nc(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5	1
84	(2E)-3-[4-(dimethylamino)phenyl]-N-[(1S)-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}-2-phenylethyl]prop-2-enamide	COVPDB860	CN(C)c1ccc(cc1)/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O	1
85	(2E)-BUT-2-ENAL	COVPDB74	C/C=C/C=O	2
86	(2E)-N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-4-(dimethylamino)but-2-enamide	COVPDB1453	CN(C)C\C=C\C(=O)NCCn1ccc2ncnc(Nc3ccc(Oc4cccc(c4)C(F)(F)F)c(Cl)c3)c12	1
87	2-(ethyldisulfanyl)-1,3-benzothiazole	COVPDB772	CCSSc(s1)nc(c12)cccc2	1
88	(2-hydroxyethoxy)acetaldehyde	COVPDB82	OCCOCC=O	1
89	2-mercaptophenol	COVPDB920	Oc1c([S-])cccc1	1
90	2-MERCAPTO-PROPIONALDEHYDE	COVPDB1104	O=CCCS	1
91	[2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate	COVPDB1051	CNC(=O)COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCCC2	1
92	2-Methylenetetralone	COVPDB1210	O=C1C(=C)CCc(c12)cccc2	1
93	2-methylheptadecanoic acid	COVPDB985	CCCCCCCCCCCCCCC[C@H](C)C(O)=O	1
94	2‐phenyl‐Isothiazolinone	COVPDB231	O=c1ccsn1-c2ccccc2	1
95	2-pyridyl disulfide 	COVPDB1247	n1ccccc1SSc2ncccc2	2
96	(2R)-2-[2-(2H-1,3-benzodioxol-5-yl)acetamido]-3-{[2-(dimethylamino)ethyl]disulfanyl}-N-[(pyridin-4-yl)methyl]propanamide	COVPDB1272	CN(C)CCSSC[C@H](NC(=O)Cc1ccc2OCOc2c1)C(=O)NCc1ccncc1	1
97	(2R)-2-(phosphonooxy)propanoic acid	COVPDB47	C[C@@H](OP(O)(O)=O)C(O)=O	3
98	(2R)-3-{[2-(dimethylamino)ethyl]disulfanyl}-2-[(2R)-2-hydroxy-2-[4-(trifluoromethyl)phenyl]acetamido]-N-[(pyridin-2-yl)methyl]propanamide	COVPDB1273	CN(C)CCSSC[C@H](NC(=O)[C@H](O)c1ccc(cc1)C(F)(F)F)C(=O)NCc1ccccn1	1
99	({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-2-{[3-(prop-2-enamido)propyl]amino}-3H-purin-9-yl)oxolan-2-yl]methoxy(hydroxy)phosphoryl}oxy(hydroxy)phosphoryl)aminophosphonic acid	COVPDB157	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)NP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(NCCCNC(=O)C=C)[nH]c2=O	1
100	({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-oxo-2-{[3-(prop-2-enamido)propyl]amino}-6,9-dihydro-3H-purin-9-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid	COVPDB156	O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc(NCCCNC(=O)C=C)[nH]c2=O	1
101	(2R,4aR)-11-Chloro-9-fluoro-10-(2-fluoro-6-hydroxyphenyl)-2,6-dimethyl-3-(prop-2-enoyl)-2,3,4,4a-tetrahydro-1H-pyrazino[1′,2′:4,5]pyrazino[2,3-c]quinolin-5(6H)-one	COVPDB1170	C=CC(=O)N(C1)[C@H](C)CN([C@H]12)c3c(N(C2=O)C)cnc4c3cc(Cl)c(c4F)-c5c(O)cccc5F	1
102	(2R)-N-{2-[(2-aminoethyl)disulfanyl]ethyl}-1-(4-methylbenzenesulfonyl)pyrrolidine-2-carboxamide	COVPDB1393	Cc1ccc(cc1)S(=O)(=O)N1CCC[C@@H]1C(=O)NCCSSCCN	2
103	(2S)-2-[(2S)-2-(3,5-dichlorophenyl)-2-(ethylamino)acetamido]-N-({[(2E)-3-methanesulfonylprop-2-en-1-yl]carbamoyl}methyl)-3,3-dimethylbutanamide	COVPDB204	Clc1cc(cc(Cl)c1)[C@H](NCC)C(=O)N[C@@H](C(C)(C)C)C(=O)NCC(=O)NC/C=C/S(=O)(=O)C	1
104	(2S)-2-[(2S)-2-(3-chlorophenyl)-2-methanesulfonamidoacetamido]-N-{[(cyanomethyl)carbamoyl]methyl}-3-phenylpropanamide	COVPDB185	Clc1cc(ccc1)[C@H](NS(=O)(=O)C)C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(=O)NCC#N	1
105	(2S)-2-[(2S)-3-cyclohexyl-2-({[(4,4-difluorocyclohexyl)oxy]carbonyl}amino)propanamido]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	COVPDB1268	O[C@@H]([C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](CC1CCCCC1)NC(=O)OC1CCC(F)(F)CC1)S(O)(=O)=O	1
106	(2S)-2-[5-(3-chlorobenzyl)-2-oxooxazolidin-3-yl]-4-methyl-N-[(S)-1-oxo-3-{(S)-2-oxopyrrolidin-3-yl} propan-2-yl] pentanamide	COVPDB1436	Clc1cc(ccc1)C[C@H]2OC(=O)N(C2)[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O	1
107	(2S)-2-amino-N-[(1R,2R)-1-cyano-2-{4'-[(4-methylpiperazin-1-yl)sulfonyl]-[1,1'-biphenyl]-4-yl}cyclopropyl]-3-(thiophen-2-yl)propanamide	COVPDB897	c1ccsc1C[C@H](N)C(=O)N[C@]2(C#N)C[C@@H]2c3ccc(cc3)-c4ccc(cc4)S(=O)(=O)N5CCN(C)CC5	1
108	(2S)-2-amino-N-[(1R,2R)-1-cyano-2-[4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl]cyclopropyl]butanamide	COVPDB893	CC[C@H](N)C(=O)N[C@@]1(C[C@@H]1c1ccc(cc1)-c1ccc(cc1)C(F)(F)F)C#N	1
109	(2S)-2-amino-N-(4-bromobutyl)propanamide	COVPDB1421	C[C@H](N)C(=O)NCCCCBr	1
110	(2S)-2-amino-N-(5-bromopentyl)propanamide	COVPDB262	C[C@H](N)C(=O)NCCCCCBr	1
111	(2S)-2-methyl-3-oxooctadecanoic acid	COVPDB58	CCCCCCCCCCCCCCCC(=O)[C@H](C)C(O)=O	1
112	(2S)-2-((S)-3-cyclohexyl-2-((3-(4-methoxyphenoxy)propyl)sulfon amido)propanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate	COVPDB1130	COc1ccc(OCCCS(=O)(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@H](O)S(O)(=O)=O)cc1	2
113	(2S)-2-((S)-3-cyclohexyl-2-(octylsulfonamido)propanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonate	COVPDB1131	CCCCCCCCS(=O)(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	1
114	(2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal	COVPDB1301	O=C[C@@H](Cc1cnc[nH]1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)CCNc1ccccc1	1
115	(2S,3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-(prop-2-enoyl)pyrrolidine-2-carboxamide	COVPDB577	O[C@@H]1CCN(C(=O)C=C)[C@@H]1C(=O)Nc(c2)ccc(c23)cc(Br)cc3	1
116	(2S,3R)-N-{[(cyanomethyl)carbamoyl]methyl}-2-[2-(3,5-dichlorophenyl)acetamido]-3-hydroxybutanamide	COVPDB186	N#CCNC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)Cc1cc(Cl)cc(Cl)c1	1
117	(2S,3S)-N-[(2-cyanopyrimidin-4-yl)methyl]-2-[(2R)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetamido]-3-methylpentanamide	COVPDB187	Clc1cc(cc(Cl)c1)[C@@H](N(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc2ccnc(n2)C#N	1
118	(2S,3S)-N-[(2-cyanopyrimidin-4-yl)methyl]-2-[(2S)-2-(3,5-dichlorophenyl)-2-(dimethylamino)acetamido]-3-methylpentanamide	COVPDB675	Clc1cc(cc(Cl)c1)[C@H](N(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCc2ccnc(n2)C#N	1
119	(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide	COVPDB778	Fc1ccc(CN2CCN[C@@H](C2)C(=O)NCCS)cc1	1
120	(2S,4R)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide	COVPDB1486	Clc1ccccc1S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C2)C(=O)C4(CC4)c5ccc(Br)cc5	1
121	(2S,4R)-4-[2-chloro-4-(4-ethylpiperazin-1-yl)benzenesulfonyl]-N-(1-cyanocyclopropyl)-1-[1-(trifluoromethyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide	COVPDB987	CCN1CCN(CC1)c1ccc(c(Cl)c1)S(=O)(=O)[C@@H]1C[C@H](N(C1)C(=O)C1(CC1)C(F)(F)F)C(=O)NC1(CC1)C#N	1
122	(2S,4R)-4-(2-chloro-4-methoxybenzenesulfonyl)-1-[3-(5-chloropyridin-2-yl)azetidine-3-carbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide	COVPDB281	COc1ccc(c(Cl)c1)S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C2)C(=O)C4(CNC4)c5ccc(Cl)cn5	1
123	(2S,4R)-4-(2-chlorobenzenesulfonyl)-1-[1-(4-chlorophenyl)cyclopropanecarbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide	COVPDB215	Clc1ccc(cc1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl	2
124	(2S,4R)-4-(2-chlorobenzenesulfonyl)-1-[1-(5-chlorothiophen-2-yl)cyclopropanecarbonyl]-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide	COVPDB1472	Clc1ccc(s1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl	1
125	(2S,4R)-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)-1-[1-(4-iodophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide	COVPDB1487	Clc1ccccc1S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C2)C(=O)C4(CC4)c5ccc(I)cc5	1
126	(2S,4R)-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)-1-[1-(4-methylphenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxamide	COVPDB1473	Cc1ccc(cc1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl	1
127	(2S,4R)-4-(2-chlorobenzenesulfonyl)-N-(1-cyanocyclopropyl)-1-{1-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl}pyrrolidine-2-carboxamide	COVPDB1488	FC(F)(F)c1ccc(cc1)C2(CC2)C(=O)N3C[C@@H](C[C@H]3C(=O)NC4(C#N)CC4)S(=O)(=O)c5ccccc5Cl	2
128	(2S,4R)-N-(1-cyanocyclopropyl)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]-4-(2-methylbenzenesulfonyl)pyrrolidine-2-carboxamide	COVPDB706	Cc1ccccc1S(=O)(=O)[C@@H]2C[C@@H](C(=O)NC3(C#N)CC3)N(C2)C(=O)C4(CC4)c5ccc(F)cc5	1
129	(2S,4R)-N-(1-cyanocyclopropyl)-1-(1-methylcyclopropanecarbonyl)-4-[4-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzenesulfonyl]pyrrolidine-2-carboxamide	COVPDB404	C1CC1(C#N)NC(=O)[C@@H]2C[C@H](CN2C(=O)C3(C)CC3)S(=O)(=O)c4ccc(OCC(F)(F)F)cc4C(F)(F)F	1
130	(2S,4R)-N-(1-cyanocyclopropyl)-4-[2-(trifluoromethyl)benzenesulfonyl]pyrrolidine-2-carboxamide	COVPDB1091	FC(F)(F)c1ccccc1S(=O)(=O)[C@H]1CN[C@@H](C1)C(=O)NC1(CC1)C#N	1
131	(2S,4R)-N-[(1S)-2-{[1,1'-biphenyl]-4-yl}-1-cyanoethyl]-4-hydroxypyrrolidine-2-carboxamide	COVPDB1018	O[C@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C#N	1
132	(2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-fluoropyrrolidine-2-carboxamide	COVPDB1021	F[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	1
133	(2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-hydroxypyrrolidine-2-carboxamide	COVPDB1020	O[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	1
134	(2S,4S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]-4-(methylsulfanyl)pyrrolidine-2-carboxamide	COVPDB1023	CS[C@@H]1CN[C@@H](C1)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N	1
135	(2S)-N-[(1S)-1-cyano-2-{4'-cyano-[1,1'-biphenyl]-4-yl}ethyl]pyrrolidine-2-carboxamide	COVPDB1019	O=C(N[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C#N)C#N)[C@@H]1CCCN1	1
136	(2S)-N-[(2S,3S,6S,7Z,12E)-4,9-dioxo-6-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-phenyl-1,10-dioxa-5-azacyclopentadeca-7,12-dien-3-yl]-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)formamido]butanamide	COVPDB755	Cc1onc(c1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2[C@H](c3ccccc3)OCC/C=C/COC(=O)/C=C\[C@@H](NC2=O)C[C@@H]4CCNC4=O	1
137	(2S)-N-{3-[(3-aminopropyl)disulfanyl]propyl}-2-{2-[(2R)-2-carbamimidamido-2-cyclohexylacetamido]acetamido}propanamide	COVPDB1145	C[C@H](NC(=O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NCCCSSCCCN	1
138	2-thioxanthine 	COVPDB147	n1c[nH]c(c12)[nH]c(=S)[nH]c2=O	1
139	2-vinyl glyoxylate	COVPDB1442	OC(=O)C(=O)C=C	1
140	(2Z)-2-({2-[(2-hydroxyethyl)disulfanyl]ethoxy}imino)-2-(1H-indol-3-yl)acetic acid	COVPDB1103	OCCSSCCO/N=C(\C([O-])=O)c1c[nH]c(c12)cccc2	1
141	(2Z)-4-(dimethylamino)-N-{7-fluoro-4-[(2-methylphenyl)amino]imidazo[1,5-a]quinoxalin-8-yl}-N-methylbut-2-enamide	COVPDB937	Cc1ccccc1Nc(n2)c(cnc3)n3c(c24)cc(c(F)c4)N(C)C(=O)/C=C\CN(C)C	1
142	(2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid	COVPDB162	OC(=O)C(\O)=C\C=C\C=O	3
143	3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide	COVPDB72	CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)-c(c(c34)c(N)ncn4)nn3[C@@H]5CCCN(C5)C(=O)C=C	1
144	3-(1-ethyl-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)benzamide	COVPDB1052	CCN1C(=O)C=C(C1=O)c2cccc(c2)C(=O)N	1
145	3-(2-cyano-6-propylpyrimidin-4-yl)-N,N-dimethyl-5-(trifluoromethyl)benzamide	COVPDB1164	CCCc1cc(nc(n1)C#N)-c2cc(cc(c2)C(F)(F)F)C(=O)N(C)C	1
146	3-{2-ETHYL-6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-HEXANOYLAMINO}-4-OXO-BUTYRIC ACID	COVPDB242	CC[C@H](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)C(=O)N[C@@H](CC(O)=O)C=O	1
147	3,3-dimethyl-8-{[(2S)-2-(phenoxymethyl)pyrrolidin-1-yl]sulfonyl}-2H,3H,4H,10H-pyrimido[1,2-a]indol-10-one	COVPDB885	CC1(C)CN=C2N(C1)c1ccc(cc1C2=O)S(=O)(=O)N1CCC[C@H]1COc1ccccc1	1
148	3,3-diphenyl-N-(2-sulfanylethyl)propanamide	COVPDB555	SCCNC(=O)CC(c1ccccc1)c2ccccc2	1
149	3,3'-(E)-diazene-1,2-diylbis{6-[(chloroacetyl)amino]benzenesulfonic acid}	COVPDB174	c1cc(c(cc1/N=N/c2ccc(c(c2)S(=O)(=O)O)NC(=O)CCl)S(=O)(=O)O)NC(=O)CCl	3
150	3-{4-amino-1-[(3R)-1-propenoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide	COVPDB57	CC(C)c1ccc(cc1)NC(=O)c2cccc(c2)-c3nn(c(c34)ncnc4N)[C@@H]5CCCN(C5)C(=O)C=C	1
151	3-{4-amino-1-[(3S)-1-propenoylpiperidin-3-yl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-[4-(propan-2-yl)phenyl]benzamide	COVPDB56	CC(C)c1ccc(cc1)NC(=O)c2cccc(c2)-c3nn(c(c34)ncnc4N)[C@H]5CCCN(C5)C(=O)C=C	1
152	3,4-difluorobenzenethiol	COVPDB165	Fc1ccc(S)cc1F	1
153	3-(4-hydroxyphenyl)-2-oxopropanoic acid	COVPDB175	OC(=O)C(=O)Cc1ccc(O)cc1	3
154	3-[5-(2-nitropent-1-en-1-yl)furan-2-yl]benzoic acid	COVPDB1154	CCC\C(=C\c1ccc(o1)-c1cccc(c1)C(O)=O)[N+]([O-])=O	2
155	3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile	COVPDB1194	FC(F)(F)c1cccc(c1)-n1nc(C#N)c(=O)n(CCCN2CCCCC2)c1=O	1
156	3,5-dioxoicosanoic acid	COVPDB59	CCCCCCCCCCCCCCCC(=O)CC(=O)CC(O)=O	1
157	3-{6-[(8-hydroxy-quinoline-2-carbonyl)-amino]-2-thiophen-2-yl-hexanoylamino}-4-oxo-butyric acid	COVPDB918	OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)c1ccc2cccc(O)c2n1)c1cccs1)C=O	1
158	3-{[6-chloro-7-(2-fluorophenyl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]amino}-N,N-dimethylpropanamide	COVPDB418	CN(C)C(=O)CCNc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc2n1)-c1ccccc1F	1
159	3-{[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-[4-(prop-2-enoyl)piperazin-1-yl]quinazolin-2-yl]amino}-N,N-dimethylpropanamide	COVPDB419	CN(C)C(=O)CCNc1nc(N2CCN(CC2)C(=O)C=C)c2cc(Cl)c(cc2n1)-c1cc(O)cc2ccccc12	1
160	3‐(7‐amino‐5‐(cyclohexylamino)‐[1,2,4]triazolo[1,5‐a][1,3,5]triazin‐2‐yl)‐2‐cyanoacrylamide	COVPDB802	NC(=O)/C(C#N)=C\c(n1)nc(n12)nc(nc2N)NC3CCCCC3	1
161	3-amino-1-propanal	COVPDB12	NCCC=O	1
162	3-bromo-para-coumaric acid	COVPDB1255	OC(=O)\C=C\c1ccc(O)c(Br)c1	2
163	(3-chlorophenyl)methyl N-[(1S)-2-cyclohexyl-1-{[(2S)-1-(diethoxyphosphoryl)-1-oxo-3-(2-oxo-2H-pyrrol-3-yl)propan-2-yl]carbamoyl}ethyl]carbamate	COVPDB210	O=C1N=CC=C1C[C@@H](C(=O)P(=O)(OCC)OCC)NC(=O)[C@H](CC2CCCCC2)NC(=O)OCc3cccc(Cl)c3	1
164	(3E)-4-(3-{7-amino-4-[(2-phenylethyl)amino]quinazolin-2-yl}phenyl)but-3-en-2-one	COVPDB450	CC(=O)\C=C\c1cccc(c1)-c1nc(NCCc2ccccc2)c2ccc(N)cc2n1	1
165	3-hydroxy-6-(hydroxymethyl)-2-{[(pyridin-2-yl)amino](thiophen-3-yl)methyl}-4H-pyran-4-one	COVPDB995	OCc1cc(=O)c(O)c(o1)[C@@H](c2ccsc2)Nc3ncccc3	1
166	3-mercaptopicolinic acid	COVPDB97	OC(=O)c1ncccc1S	1
167	3-oxopentanedioic acid	COVPDB316	OC(=O)CC(=O)CC(O)=O	1
168	(3R)-3-[2-(acetylsulfanyl)acetamido]-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB61	CC(=O)SCC(=O)N[C@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	2
169	(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)carbamoyl]-4,4-dimethylpyrrolidin-3-yl N-[(2S)-1-oxo-1-{[(1R)-1-phenylethyl]carbamoyl}hexan-2-yl]carbamate	COVPDB241	c1ccccc1[C@@H](C)NC(=O)C(=O)[C@H](CCCC)NC(=O)O[C@@H](C2(C)C)CN(C2)C(=O)Nc3c(C)noc3C	1
170	(3S)-1-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-3-oxidanyl-3H-indol-2-one	COVPDB95	O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O	1
171	(3S,14E)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-17-oxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide	COVPDB615	c12cc(Cl)c(cc1)OC/C=C\CCc3c(cccc3)C(=O)N[C@@H](C2)C(=O)NC4(C#N)CC4	1
172	(3S,14Z)-22-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.0⁶,¹¹]docosa-1(20),6,8,10,14,18,21-heptaene-3-carboxamide	COVPDB604	c1cccc(c12)OC\C=C\COc3ccc(cc3Cl)C[C@H](NC2=O)C(=O)NC4(C#N)CC4	1
173	(3S)-3-[(2S)-2-[(4-methoxy-1H-indol-2-yl)formamido]-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate	COVPDB1433	COc1cccc(c12)[nH]c(c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)COC(=O)c4ccccc4C#N	3
174	(3S)-3-{4-[(2S)-3-methyl-2-{[(quinolin-6-yl)methyl]amino}butan-2-yl]-1H-1,2,3-triazol-1-yl}-1-(2,3,5,6-tetrafluorophenoxy)heptan-2-one	COVPDB1026	Fc1c(F)cc(F)c(F)c1OCC(=O)[C@H](CCCC)n2cc(nn2)[C@](C)(C(C)C)NCc(c3)ccc(c34)nccc4	1
175	(3S)-3-[(5-bromopyridin-3-yl)carbonylamino]-4-oxo-butanoic acid	COVPDB1134	OC(=O)C[C@H](NC(=O)c1cncc(Br)c1)C=O	1
176	(3S)-3-{[(5S,10aS)-2-[(2S)-4-carboxy-2-(2-phenylacetamido)butyl]-1,3-dioxo-1H,2H,3H,5H,7H,8H,9H,10H,10aH-[1,2,4]triazolo[1,2-a]cinnolin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB538	OC(=O)CC[C@@H](Cn1c(=O)n2[C@H]3CCCCC3=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O)NC(=O)Cc1ccccc1	1
177	(3S)-3-{[(5S)-2-{2-[(1H-1,3-benzodiazol-5-yl)formamido]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB539	OC(=O)C[C@H](NC(=O)[C@@H]1C=C(CC2CCCCC2)Cn2n1c(=O)n(CCNC(=O)c1ccc3[nH]cnc3c1)c2=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
178	(3S)-3-{[(5S,8R)-2-(3-carboxypropyl)-8-{2-[2-(4-chlorophenyl)acetamido]ethyl}-1,3-dioxo-1H,2H,3H,5H,8H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]formamido}-5-(2,6-dichlorobenzoyloxy)-4-oxopentanoic acid	COVPDB540	OC(=O)CCCn1c(=O)n2[C@H](CCNC(=O)Cc3ccc(Cl)cc3)C=C[C@@H](C(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c3c(Cl)cccc3Cl)n2c1=O	1
179	(3S,4S)-1-(2-chlorobenzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide	COVPDB131	Clc1ccccc1S(=O)(=O)N2C[C@@H](C(=O)NCC#N)[C@@H](C2)C(=O)N3CCOCC3	1
180	(3S,4S)-1-(benzenesulfonyl)-N-(cyanomethyl)-4-(morpholine-4-carbonyl)pyrrolidine-3-carboxamide	COVPDB132	N#CCNC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)C[C@H]1C(=O)N3CCOCC3	1
181	(3S)-5-(2,6-dichlorobenzoyloxy)-3-{3-[({2-[(5-methanesulfonylthiophen-2-yl)formamido]ethyl}disulfanyl)methyl]benzenesulfonamido}-4-oxopentanoic acid	COVPDB62	CS(=O)(=O)c1ccc(s1)C(=O)NCCSSCc1cccc(c1)S(=O)(=O)N[C@@H](CC(O)=O)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
182	(3S )-N-METHANESULFONYL-3-({1-[N-(2-NAPHTOYL)-L-VALYL]-L-PROLYL }AMINO)-4-OXOBUTANAMIDE	COVPDB1099	CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)NS(C)(=O)=O)C=O	1
183	4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile	COVPDB858	O1COc(c12)cc(cc2)CN(c3c(F)cnc(n3)C#N)CCOc4ccccc4	1
184	(4-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-methoxy-3-oxopropyl}phenyl)methaneseleninic acid	COVPDB1513	COC(=O)[C@H](Cc1ccc(C[Se](O)=O)cc1)NC(=O)OC(C)(C)C	1
185	4-(3-piperidin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile	COVPDB1042	FC(F)(F)c1cccc(c1)-c1cc(CCCN2CCCCC2)nc(n1)C#N	1
186	4-({[3-(prop-2-enamido)phenyl]methyl}amino)pyrrolo[1,2-b]pyridazine-3-carboxamide	COVPDB462	NC(=O)c1cnn2cccc2c1NCc1cccc(NC(=O)C=C)c1	1
187	4,4-difluorocyclohexyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate	COVPDB1269	FC1(F)CCC(CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O	1
188	4-(6-Ethynyl-9H-purin-2-ylamino)benzenesulfonamide	COVPDB1059	NS(=O)(=O)c1ccc(cc1)Nc(nc(c23)[nH]cn3)nc2C#C	1
189	4-amino-2-[(3S)-3-(prop-2-enamido)pyrrolidin-1-yl]pyrimidine-5-carboxamide	COVPDB867	NC(=O)c1cnc(nc1N)N2CC[C@@H](C2)NC(=O)C=C	1
190	4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide	COVPDB208	Nc1ccc(cc1F)C(=O)NC2(C(=O)NCC#N)CCCCC2	1
191	4-bromobenzenethiol	COVPDB164	Sc1ccc(Br)cc1	1
192	(4-bromophenyl)methyl N-[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxohexan-2-yl]amino]pentan-2-yl]carbamate	COVPDB1121	CCCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccc(Br)cc1	1
193	4-chloro-2-hydroxymethylpyridine	COVPDB913	Clc1cc(CO)ncc1	1
194	4-chloromethylimidazole	COVPDB235	ClCc1c[nH]cn1	1
195	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile	COVPDB1193	N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1	1
196	4-[cyclopentyl(imidazo[1,2-a]pyridin-2-ylmethyl)amino]-6-morpholino-1,3,5-triazine-2-carbonitrile	COVPDB366	N#Cc1nc(nc(n1)N1CCOCC1)N(Cc1cn2ccccc2n1)C1CCCC1	1
197	4-{cyclopentyl[(pyrazin-2-yl)methyl]amino}-6-(morpholin-4-yl)-1,3,5-triazine-2-carbonitrile	COVPDB367	c1nccnc1CN(C2CCCC2)c3nc(C#N)nc(n3)N4CCOCC4	1
198	4-(diethylamino)benzaldehyde	COVPDB207	CCN(CC)c1ccc(C=O)cc1	1
199	4-(DIMETHYLAMINO)BENZOIC ACID	COVPDB1470	CN(C)c1ccc(cc1)C(O)=O	2
200	4-ethylcyclohexyl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate	COVPDB1271	CC[C@H]1CC[C@H](CC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O	1
201	4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-2-PHENYLETHYL]-AMIDE	COVPDB1122	c1ccccc1S(=O)(=O)/C=C/[C@H](CCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)N3CCC(CC3)N4CCOCC4	1
202	4-NITROPHENYL ISOTHIOCYANATE	COVPDB238	[O-][N+](=O)c1ccc(cc1)N=C=S	1
203	4-[[N-[(PHENYLMETHOXY)CARBONYL]-/NL/N-LEUCYL]AMINO]-1[(2S)-2-[[[4-(PYRIDINYLMETHOXY)CARBONYL]AMINO]-4-METHYLPENT/NYL]-3-PYRROLIDINONE	COVPDB956	c1ccccc1COC(=O)N[C@@H](CC(C)C)CN2C[C@H](C(=O)C2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccncc3	1
204	4-oxo-3-[6-({4-[(quinoxalin-2-yl)amino]phenyl}formamido)-2-(thiophen-2-yl)hexanamido]-5-(2,3,5,6-tetrafluorophenoxy)pentanoic acid	COVPDB584	OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)c1cccs1)C(=O)COc1c(F)c(F)cc(F)c1F	1
205	4-oxo-3-{6-[4-(quinoxalin-2-yloxy)-benzoylamino]-2-thiophen-2-yl-hexanoylamino}-butyric acid	COVPDB1485	OC(=O)C[C@H](NC(=O)[C@H](CCCCNC(=O)c1ccc(Oc2cnc3ccccc3n2)cc1)c1cccs1)C=O	1
206	(4S)‐4‐[(2S)‐2‐{[(benzyloxy)carbonyl]amino}‐3‐carboxylatopropanamido]‐4‐{[(1S)‐1‐[N'‐(carboxylatomethyl)‐N'‐[(2E)‐4‐ethoxy‐4‐oxobut‐2‐enoyl]hydrazinecarbonyl]‐2‐methylpropyl]carbamoyl}butanoate	COVPDB474	CCOC(=O)\C=C\C(=O)N(CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(C)C	2
207	(4S)-4-{[(benzyloxy)carbonyl]amino}-4-{[(1S)-1-[N'-(carboxymethyl)-N'-[(2S,3S)-3-[(2-phenylethyl)carbamoyl]oxirane-2-carbonyl]hydrazinecarbonyl]-2-methylpropyl]carbamoyl}butanoic acid	COVPDB1085	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCCc1ccccc1	1
208	(4S,7S,17S)-17-(3-chlorophenyl)-4-(2-methylpropyl)-2,5,10-trioxo-1-oxa-3,6,11-triazacycloheptadecane-7-carbaldehyde	COVPDB1437	CC(C)C[C@@H]1NC(=O)O[C@H](c2cccc(Cl)c2)CCCCCNC(=O)CC[C@@H](C=O)NC1=O	1
209	5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid	COVPDB784	OC(=O)c1cc(ccc1-c1c2ccc(O)cc2oc2cc(=O)ccc12)N1C(=O)C=CC1=O	1
210	5-{[3,5-bis(trifluoromethyl)phenyl]amino}-3-hydroxy-1,2-thiazole-4-carbonitrile	COVPDB115	O=c1[nH]sc(c1C#N)Nc2cc(C(F)(F)F)cc(c2)C(F)(F)F	1
211	5-{[(4-{[(2S)-1-carboxy-4-(2,6-dichlorobenzoyloxy)-3-oxobutan-2-yl]carbamoyl}phenyl)methyl]sulfamoyl}-2-hydroxybenzoic acid	COVPDB63	OC(=O)C[C@H](NC(=O)c1ccc(CNS(=O)(=O)c2ccc(O)c(c2)C([O-])=O)cc1)C(=O)COC(=O)c1c(Cl)cccc1Cl	1
212	5-({5-[(1-carboxy-4-chloro-3-oxobutan-2-yl)carbamoyl]-5-phenylpentyl}sulfamoyl)-2-hydroxybenzoic acid	COVPDB278	OC(=O)CC(NC(=O)C(CCCCNS(=O)(=O)C1=CC(C(O)=O)=C(O)C=C1)C1=CC=CC=C1)C(=O)CCl	1
213	5-CHLORO-4-OXOPENTANOIC ACID	COVPDB1397	ClCC(=O)CCC(=O)[O-]	1
214	5-Chloromethyl-5'-methyl-2,2'-bipyridine	COVPDB756	Cc1cnc(cc1)-c2ncc(CCl)cc2	3
215	5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-diazinane-2,4,6-trione	COVPDB274	O=C1NC(=O)C(=C\C=C\c2ccco2)C(=O)N1	1
216	5-[(E)-3-thiophen-2-ylprop-2-enylidene]-1,3-diazinane-2,4,6-trione	COVPDB275	O=C1NC(=O)C(=C\C=C\c2cccs2)C(=O)N1	1
217	5-ethyl-1,3-dioxan-5-yl N-[(1S)-3-methyl-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}butyl]carbamate	COVPDB1270	C1OCOCC1(CC)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O	2
218	5-FLUORO-2'-DEOXY-UMP	COVPDB1415	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc(F)c(=O)[nH]c1=O	4
219	5-Fluoro-N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate	COVPDB365	ONc1nc(=O)n(cc1F)[C@H]1C[C@H](O)[C@@H](COP(O)(O)=O)O1	1
220	5-Iodoaceamido-1,10-phenanthroline	COVPDB1246	ICC(=O)Nc1cc(cccn2)c2c(c13)nccc3	1
221	5-IODOURACIL	COVPDB943	Ic1c[nH]c(=O)[nH]c1=O	1
222	5-MERCAPTO-2-NITRO-BENZOIC ACID	COVPDB1098	OC(=O)c1cc(S)ccc1[N+]([O-])=O	6
223	5-NO2dUMP	COVPDB1141	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1cc([N+]([O-])=O)c(=O)[nH]c1=O	4
224	5-oxo-tricosahexaenoic acid	COVPDB277	CC\C=C/C\C=C\C\C=C/C\C=C\C\C=C\C=C\C(=O)CCCC(O)=O	1
225	(5S,6R)-6-acetyl-3-({[(aminomethyl)amino]methyl}sulfanyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid	COVPDB202	CC(=O)[C@H]1[C@@H]2CC(SCNCN)=C(N2C1=O)C(O)=O	1
226	(5S, 8R, 11S)-14-[4-(BENZYLOXY)-4-OXOBUT-2-ENOYL]-8-(2-CARBOXYETHYL)-5-(CARBOXYMETHYL)-11- (1-METHYLETHYL)-3,6,9,12-TETRAOXO-1-PHENYL-2-OXA-4,7,10,13,14-PENTAAZAHEXADECAN-16-OIC ACID	COVPDB1111	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)\C=C\C(=O)OCc1ccccc1	1
227	5-~{tert}-butyl-~{N}-[(2~{S})-1-[[cyano(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-2-methyl-pyrazole-3-carboxamide	COVPDB854	N#CN(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)c1cc(C(C)(C)C)nn1C	1
228	(5Z)-7-Oxozeaenol	COVPDB78	Oc1cc(OC)cc(c12)\C=C\C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	1
229	6-[(3,5-difluorophenyl)amino]-9-ethyl-purine-2-carbonitrile	COVPDB1259	CCn1cnc(c12)c(nc(n2)C#N)Nc3cc(F)cc(F)c3	1
230	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-(4-phenoxyphenoxy)pyridine-3-carboxamide	COVPDB866	C=CC(=O)N[C@H]1CCN(C1)c2ccc(C(=O)N)c(n2)Oc3ccc(cc3)Oc4ccccc4	1
231	6-[(3S)-3-(acryloylamino)pyrrolidin-1-yl]-2-{[4-(tert-butylcarbamoyl)phenyl]amino}pyridine-3-carboxamide	COVPDB868	CC(C)(C)NC(=O)c1ccc(cc1)Nc2c(C(=O)N)ccc(n2)N3CC[C@@H](C3)NC(=O)C=C	1
232	6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}pyridine-2-carbonitrile	COVPDB422	CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cccc(n2)C#N)CC1	1
233	6-chloro-7-(2-fluoro-6-hydroxyphenyl)-4-[4-(prop-2-enoyl)piperazin-1-yl]-1-[2-(propan-2-yl)phenyl]-1,2-dihydroquinazolin-2-one	COVPDB1181	Fc1cccc(O)c1-c(c2)c(Cl)cc(c23)c(N4CCN(CC4)C(=O)C=C)nc(=O)n3-c5ccccc5C(C)C	1
234	6-chloro-N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-3-nitropyridin-2-amine	COVPDB430	[O-][N+](=O)c1ccc(Cl)nc1Nc2ncc(C(F)(F)F)cc2Cl	1
235	6-CL-IMP	COVPDB648	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(Cl)ncnc12	1
236	6-diazo-5-oxo-l-norleucine	COVPDB410	N[C@@H](CCC(=O)C=[N+]=[N-])C(O)=O	12
237	6-oxooctadecatrienoic acid	COVPDB321	CCCCC\C=C/C\C=C\C=C\C(=O)CCCCC(O)=O	2
238	6-oxo-tetracosahexaenoic acid	COVPDB295	CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C\C=C\C(=O)CCCCC(O)=O	1
239	6-thioguanine	COVPDB725	S=c1[nH]c(N)nc(c12)nc[nH]2	1
240	7-(2,4-difluorophenyl)-3-[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]-1,4-dihydroisoquinolin-1-one	COVPDB1125	Fc1ccc(c(F)c1)-c(c2)ccc(c23)CC(=NC3=O)[C@@H]4CCN(C4)C(=O)C=C	1
241	7-(2-fluoro-6-hydroxyphenyl)-3-[(3R)-1-(prop-2-enoyl)pyrrolidin-3-yl]-1,4-dihydro-2,6-naphthyridin-1-one	COVPDB1124	Oc1cccc(F)c1-c(nc2)cc(c23)C(=O)N=C(C3)[C@@H]4CCN(C4)C(=O)C=C	1
242	7-cyano-7-deazaguanine	COVPDB850	O=c1[nH]c(N)nc(c12)[nH]cc2C#N	3
243	7-cyclohexyl-6-{[4-(4-methylpiperazin-1-yl)phenyl]methyl}-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile	COVPDB645	CN1CCN(CC1)c1ccc(Cc2cc3cnc(nc3n2C2CCCCC2)C#N)cc1	1
244	7-(ethenesulfonyl)-N-(oxan-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-2-amine	COVPDB650	C=CS(=O)(=O)N(C1)CCc(c12)cnc(n2)NC3CCOCC3	1
245	7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE	COVPDB379	COc(cc1)cc(c12)C(=O)C(=C)CC2	1
246	7-Methylisatin	COVPDB339	c1ccc(C)c(c12)NC(=O)C2=O	1
247	7-(trifluoromethyl)isatin	COVPDB340	c1ccc(C(F)(F)F)c(c12)NC(=O)C2=O	1
248	8-nitro-2-(piperidin-1-yl)-6-(trifluoromethyl)-4H-1,3-benzothiazin-4-one	COVPDB823	[O-][N+](=O)c1cc(C(F)(F)F)cc(c12)c(=O)nc(s2)N3CCCCC3	1
249	acetyl-Glu-Phe-Gln-Leu-Gln-X	COVPDB1063	CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@H](CCC([O-])=O)NC(=O)C)Cc1ccccc1	1
250	Ac-GSL-AOMK	COVPDB289	CC(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)COC(=O)c1c(C)cccc1C	1
251	Ac-VLTK-AOMK	COVPDB643	CC(C)C[C@H](NC(=O)[C@@H](NC(C)=O)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)COC(=O)c1c(C)cccc1C	2
252	adamantyl ebselen	COVPDB334	c1cccc(c12)[se]n(c2=O)C34C[C@H]5C[C@@H](C3)C[C@H](C5)C4	1
253	ADP-ribose	COVPDB993	Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@@H](O)[C@@H](O)[C@@H](O)C=O)[C@@H](O)[C@H]1O	1
254	Afatinib	COVPDB49	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1	1
255	AFM-30a	COVPDB397	COc1cccc2n(C)c(nc12)[C@H](CCCNC(=N)CF)NC(=O)c1cccc2CNC(=O)c12	1
256	AG7404	COVPDB1468	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC#C)n2cccc(c2=O)NC(=O)c3cc(C)on3	1
257	Ajoene	COVPDB494	C=CCSS/C=C/C[S@](=O)CC=C	1
258	ALPHA-DIFLUOROMETHYLORNITHINE	COVPDB709	NCCC[C@@](N)(C(F)F)C(O)=O	1
259	alpha-ketoglutarate	COVPDB495	OC(=O)CCC(=O)C(O)=O	2
260	AMG 510	COVPDB1100	Fc1cccc(O)c1-c(n2)c(F)cc(c23)c(N4CCN(C[C@@H]4C)C(=O)C=C)nc(=O)n3-c5c(C)ccnc5C(C)C	1
261	amino{[(4S)-4-{[(benzyloxy)carbonyl]amino}-5-{[(2S)-1-(benzyloxy)-4-chloro-3-oxobutan-2-yl]amino}-5-oxopentyl]amino}met haniminium	COVPDB13	NC(=N)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)CCl	1
262	Anguinomycin A	COVPDB475	C[C@H](C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O)\C=C(\C)/C=C/[C@H]1CC=CC(=O)O1	1
263	APC-3316	COVPDB22	CN1CCN(CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1	1
264	ARS-107 	COVPDB616	Oc1cc(Cl)c(Cl)cc1NCC(=O)N1CCN(CC1)C1CN(C1)C(=O)C=C	1
265	ARS-917	COVPDB416	Fc1ccccc1-c(c(Cl)c2)cc(c23)ncnc3N4CCN(CC4)C(=O)C=C	2
266	ASPARTATE SEMIALDEHYDE	COVPDB506	N[C@H](CC=O)C(O)=O	1
267	AZ-006	COVPDB999	C[C@@H](CN)Nc1cc(CS)cc2sc(cc12)C(N)=N	2
268	AZ-009	COVPDB1036	NC(=N)c1cc2c(Cl)cc(CS)cc2s1	1
269	AZ-010	COVPDB1037	NC(=N)c1cc(cs1)-c1cccc(NC(=O)C=C)c1	2
270	AZ12878478	COVPDB1150	Cc1cccc(c1)C[C@@H](C(=O)NCC#N)NC(=O)c2cc(C(C)(C)C)nn2C	1
271	AZ13010160	COVPDB549	Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C	1
272	B1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE	COVPDB929	c1ccccc1-c2cc(ccc2)[C@@H](CC(C)C)C(=O)NCC(=O)CNS(=O)(=O)c3ccccn3	1
273	B4Z inhibitor	COVPDB25	NC(=O)CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OC(C)(C)C	1
274	BAY 11-7082	COVPDB594	Cc1ccc(cc1)S(=O)(=O)/C=C/C#N	1
275	BB-F-amidine	COVPDB398	FCC(=N)NCCC[C@H](NC(=O)c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1	1
276	B-CA059	COVPDB252	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
277	BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE	COVPDB128	c1cccc(c12)cc(o2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]3CCCN(CC3=O)S(=O)(=O)c4ccccn4	1
278	Benzoquinone	COVPDB683	O=C1C=CC(=O)C=C1	2
279	BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE	COVPDB1506	C[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)OCc1ccccc1)C(=O)CF	1
280	BENZOYL-TYROSINE-ALANINE-FLUORO-METHYL KETONE	COVPDB1512	Oc1ccc(cc1)C[C@@H](C(=O)N[C@H](C)C(=O)CF)NC(=O)OCc2ccccc2	1
281	benzyl N-[(12S,15S,18S)-15-(cyclohexylmethyl)-12-formyl-9,14,17-trioxo-1,8,13,16,21,22-hexaazabicyclo[18.2.1]tricosa-20(23),21-dien-18-yl]carbamate	COVPDB273	c12cn(nn2)CCCCCCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](C1)NC(=O)OCc4ccccc4	1
282	benzyl N-[(1S)-1-{[(1E,3S)-1-[(4-nitrophenoxy)sulfonyl]-5-phenylpent-1-en-3-yl]carbamoyl}-2-phenylethyl]carbamate	COVPDB1448	[O-][N+](=O)c1ccc(cc1)OS(=O)(=O)/C=C/[C@H](CCc2ccccc2)NC(=O)[C@H](Cc3ccccc3)NC(=O)OCc4ccccc4	1
283	benzyl N-[(1S)-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}-2-phenylethyl]carbamate	COVPDB861	O=C1NCC[C@H]1C[C@@H](C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	1
284	benzyl N-[(1S)-2-phenyl-1-{[(1E,3S)-5-phenyl-1-phenylmethanesulfonylpent-1-en-3-yl]carbamoyl}ethyl]carbamate	COVPDB1447	c1ccccc1COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)Cc4ccccc4	1
285	benzyl N-[(1S)-3-methyl-1-{[(2S)-1-{[3-(4-methylpiperazin-1-yl)propyl]carbamoyl}-1-oxobutan-2-yl]carbamoyl}butyl]carbamate	COVPDB1007	CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCN(C)CC1	1
286	benzyl N-[(8S,11S,14S)-11-(cyclohexylmethyl)-8-formyl-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate	COVPDB718	c12cn(nn2)CCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](C1)NC(=O)OCc4ccccc4	1
287	benzyl N-[(8S,11S,14S)-8-formyl-11-(2-methylpropyl)-5,10,13-trioxo-1,4,9,12,17,18-hexaazabicyclo[14.2.1]nonadeca-16(19),17-dien-14-yl]carbamate	COVPDB271	c12cn(nn1)CCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C2)NC(=O)OCc3ccccc3	1
288	benzyl N-[(9S,12S,15S)-12-(cyclohexylmethyl)-9-formyl-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate	COVPDB719	c12cn(nn2)CCCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@H](C1)NC(=O)OCc4ccccc4	1
289	benzyl N-[(9S,12S,15S)-9-formyl-12-(2-methylpropyl)-6,11,14-trioxo-1,5,10,13,18,19-hexaazabicyclo[15.2.1]icosa-17(20),18-dien-15-yl]carbamate	COVPDB272	c1ccccc1COC(=O)N[C@@H](Cc(cn23)nn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)CCC(=O)NCCC2	2
290	BETAINE ALDEHYDE	COVPDB585	C[N+](C)(C)CC=O	1
291	BIAPENEM	COVPDB251	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(S[C@H]3Cn4cnc[n+]4C3)=C(N2C1=O)C(O)=O	2
292	bis[diethyl(methyl)-lambda~5~-phosphanyl]{bis[{[(2-{[2-(2,5-dioxopyrrol-1-yl)ethyl]amino}-2-oxoethyl)amino]methyl}(diethyl)-lambda~5~-phosphanyl]}rhodium	COVPDB1006	CC[P](C)(CC)[Rh]([P](C)(CC)CC)([P](CC)(CC)CNCC(=O)NCCN1C(=O)C=CC1=O)[P](CC)(CC)CNCC(=O)NCCN2C(=O)C=CC2=O	1
293	Boc-D(OMe)-Fmk 	COVPDB729	COC(=O)C[C@@H](C(=O)C)NC(=O)OC(C)(C)C	1
294	boceprevir	COVPDB1410	CC(C)(C)NC(=O)N[C@@H](C(C)(C)C)C(=O)N(C[C@@H]([C@@H]12)C2(C)C)[C@@H]1C(=O)N[C@@H](C(=O)C(=O)N)CC3CCC3	4
295	(BOC)LPA(B27) PEPTIDE	COVPDB526	CC(C)(C)OC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@H](CS)[C@@H](C)O	1
296	Branebrutinib	COVPDB1078	CC#CC(=O)N[C@H]1CCCN(C1)c2c(F)cc(C(=O)N)c(c23)[nH]c(C)c3C	1
297	Britannin	COVPDB1476	O[C@H]1C[C@H](OC(=O)C)[C@H]([C@@]12C)[C@H](C)C[C@H]3[C@@H](C(C(O3)=O)=C)[C@@H]2OC(=O)C	1
298	BTZ043	COVPDB42	O1C[C@H](C)OC12CCN(CC2)c(s3)nc(=O)c(c34)cc(C(F)(F)F)cc4[N+]([O-])=O	1
299	C1-31	COVPDB227	CCSCOc1ccc(cc1NC(=O)CCl)S(=O)(=O)N2CCCCCC2	1
300	C4Z inhibitor	COVPDB26	NC(=O)CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1	1
301	C6Z inhibitor	COVPDB28	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C#N	1
302	CA073	COVPDB343	CCCNC(=O)[C@@H]1[C@H](O1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N2CCC[C@H]2C(=O)OCc3ccccc3	2
303	CA074	COVPDB9	CCCNC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(O)=O	3
304	CA075	COVPDB344	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(O)=O	1
305	CA076	COVPDB345	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
306	CA077	COVPDB346	c1ccccc1CNC(=O)[C@H]2O[C@@H]2C(=O)N[C@@H]([C@@H](C)CC)C(=O)N3CCC[C@H]3C(=O)OCc4ccccc4	1
307	CAFFEIC ACID	COVPDB695	OC(=O)\C=C\c1ccc(O)c(O)c1	1
308	Calpain inhibitor II	COVPDB1430	CSCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)C	1
309	Carbapenem T206	COVPDB303	CCCOC(=O)CSC1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O	2
310	carbapenem T208	COVPDB1366	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(SCC(=O)OC3CCCCC3)=C(N2C1=O)C(O)=O	1
311	Carbapenem T210	COVPDB304	CSC1=C(N2[C@@H]([C@@H]([C@@H](C)O)C2=O)[C@H]1C)C(O)=O	1
312	Carbapenem T224	COVPDB323	C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3c[nH]c4ccccc34)=C(N2C1=O)C(O)=O	1
313	CAS329306	COVPDB1396	Cc1ccc(cc1)S(=O)(=O)N[C@H](C(=O)CCl)Cc2ccccc2	1
314	CATECHOL	COVPDB623	Oc1ccccc1O	1
315	Cbz-Asp-Glu-Val-AAsp-CHCH-CON(CH3)CH2Ph	COVPDB1110	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)\C=C\C(=O)N(C)Cc1ccccc1	1
316	CBZ-ASP-GLU-VAL-azaASP-EP-CO-N(CH2PH)2	COVPDB1117	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1	1
317	CBZ-ASP-GLU-VAL-azaASP-EP-CO-NH-CH2PH	COVPDB1119	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1	1
318	CBZ-ASP-GLU-VAL-azaASP-EP-COO-CH2PH	COVPDB1118	CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)OCc1ccccc1)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)OCc1ccccc1	1
319	CBZ-ILE-GLU-THR-azaASP-EP-CO-ALA-NH-CH2-PH	COVPDB1120	CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NN(CC(O)=O)C(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C)C(=O)NCc1ccccc1	1
320	Cbz-Leu-Glu-Thr-AAsp-CHCH-CON-tetrahydroquinoline	COVPDB1112	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NN(CC(O)=O)C(=O)\C=C\C(=O)N1CCCc2ccccc12	1
321	Cbz-Leu-Phe-AGln-EP-COOEt	COVPDB519	CCOC(=O)[C@H]1O[C@H]1C(=O)N(CCC(=O)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	3
322	(CBZ)NPQ(B27) peptide	COVPDB524	C[C@@H](O)[C@@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)NC(=O)OCc2ccccc2	1
323	CC 292	COVPDB359	COCCOc1ccc(cc1)Nc2ncc(F)c(n2)Nc3cccc(c3)NC(=O)C=C	1
324	cerulenin	COVPDB98	O=C(N)[C@@H]1O[C@@H]1C(=O)CC/C=C/C/C=C/C	8
325	CFT	COVPDB792	Fc1ccc(cc1)-c2csc(c23)nc(CCl)[nH]c3=O	1
326	CHMFL-BTK-01	COVPDB1132	CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc(c2C)-c3cn(C)c(=O)c(c3)Nc4ccc(c(c4)NC(=O)C=C)C(=O)N5CCOCC5	1
327	cinnamoyl-leucine-GlnLactam-CO-CO-NH-benzyl	COVPDB743	c1ccccc1/C=C/C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NCc3ccccc3	1
328	Cl-amidine	COVPDB553	NC(=O)[C@H](CCCNC(=N)CCl)NC(=O)c1ccccc1	1
329	CLIK148	COVPDB607	c1ccccc1C[C@H](C(=O)N(C)C)NC(=O)[C@H]2O[C@@H]2C(=O)NCCc3ccccn3	1
330	Cm-FF-H	COVPDB1296	c1ccccc1C[C@@H](C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)/C=C/c3ccccc3	1
331	CNX 774	COVPDB358	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)Nc3ncc(F)c(n3)Nc4cccc(c4)NC(=O)C=C	1
332	Cov_HetLib030	COVPDB1428	N#Cc1ncccn1	1
333	Cov_HetLib053	COVPDB1427	N#Cc1ncc[nH]1	1
334	CP12	COVPDB896	N#CN[C@H]1CCc(c12)ccc(c2)-c(ncn3)c(c34)cc[nH]4	1
335	CPD	COVPDB796	c1ccccc1N[C@H]([C@]23C(C(=O)OC)=C(C(=O)OC)[C@H](O2)C=C3)Cc4ccc(C)cc4	1
336	CRA-14009	COVPDB1107	c1ccccc1S(=O)(=O)CC[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4	1
337	CRA-14013	COVPDB547	C[C@H]1ONC(C)=C1CS(=O)(=O)C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4	1
338	CRA-26871	COVPDB614	c1ccccc1S(=O)(=O)/N=C(\C)N[C@@H](CC2(C)CCCC2)C(=O)NC3(C#N)CCS(=O)(=O)CC3	1
339	CRA-27566	COVPDB652	C1COCCN1C(=O)N[C@@H](C[Si](C)(C)C)C(=O)NC2(C#N)CCS(=O)(=O)CC2	1
340	CRA-27934	COVPDB653	Oc1ccc(cc1)[C@@H](C(F)(F)F)N[C@H](C(=O)NC2(C#N)CC2)CS(=O)(=O)Cc3ccccc3	1
341	CRA-29728	COVPDB603	Fc1ccc(cc1)[C@@H](C(F)(F)F)N[C@H](C(=O)NC2(C#N)CC2)CS(=O)(=O)N3CCOCC3	1
342	CT319	COVPDB43	c1ccccc1[C@H](C)NC(=O)c2cc([N+]([O-])=O)cc(c2)C(F)(F)F	1
343	Dacomitinib	COVPDB75	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1	1
344	DC-Rhoin04	COVPDB417	C=CCOC(=O)C1=CS(=O)(=O)c(c12)cccc2	1
345	Deferoxamine-maleimide	COVPDB835	CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCN1C(=O)C=CC1=O	1
346	Dimethyl fumarate	COVPDB439	COC(=O)/C=C/C(=O)OC	1
347	DL-AZIDAP	COVPDB1503	N[C@@H](CCC[C@@]1(CN1)C(O)=O)C(O)=O	1
348	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
349	dUMP	COVPDB1422	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O	9
350	(E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine	COVPDB753	CN1CCN(CCCOc2ccc(cc2C(F)(F)F)-c2cc3n(C)cnc3c(n2)C#N)CC1	1
351	(E)-5-Bromo-4-oxo-pent-2-enoic acid 	COVPDB1308	OC(=O)\C=C\C(=O)CBr	5
352	E6201	COVPDB738	CNc(c1)cc(O)c(c12)C(=O)O[C@@H](C)[C@H](C)/C=C\C(=O)[C@@H](O)[C@@H](O)C\C=C\2	1
353	E64	COVPDB739	CC(C)C[C@H](NC(=O)[C@@H]1O[C@H]1C(O)=O)C(=O)NCCCCNC(N)=N	12
354	E-64-C	COVPDB741	CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1O[C@H]1C(O)=O	3
355	E64d	COVPDB742	CCOC(=O)[C@@H]1O[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(C)C	1
356	E64-R-P-NH2	COVPDB740	CC(C)C[C@@H](NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1CCC[C@H]1C(N)=O)C(=O)NCCCCNC(N)=N	1
357	Ebselen	COVPDB444	c1cccc(c12)[se]n(c2=O)-c3ccccc3	3
358	Ebsulfur	COVPDB443	c1cccc(c12)sn(c2=O)-c3ccccc3	1
359	(E)-N-ethyl-4-oxo-4-phenylbut-2-enamide	COVPDB1191	CCNC(=O)/C=C/C(=O)c1ccccc1	1
360	EpoY	COVPDB567	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O	2
361	ergothioneine	COVPDB716	C[N+](C)(C)[C@@H](CC1=CNC(S)=N1)C(O)=O	1
362	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
363	ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(tert-butoxy)propanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB840	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](COC(C)(C)C)NC(=O)OCc3ccccc3	5
364	ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-4-(tert-butoxy)-4-oxobutanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB838	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	4
365	ethyl (2E,4S)-4-[(2S)-2-[(2S)-2-{[(benzyloxy)carbonyl]amino}-5-(tert-butoxy)-5-oxopentanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB837	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)OCc3ccccc3	3
366	ethyl (2E,4S)-4-[(2S)-2-[(2S,3R)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB839	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCC3c(cccc4)c4c(c35)cccc5	2
367	ethyl (2E,4S)-4-[(2S)-2-[(2S,3R)-3-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}butanamido]-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB841	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OC(C)(C)C	1
368	ethyl (2E,4S)-4-[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB834	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	3
369	ethyl (2E,4S)-4-[(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanamido]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB836	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc2ccccc2	2
370	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB1434	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)c([nH]2)cc(c23)c(OC)ccc3	1
371	ethyl (2E,4S)-4-{[(tert-butoxy)carbonyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB833	CCOC(=O)/C=C/[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CCNC1=O	2
372	ethyl (2Z,4S)-4-{[(2R,5S)-5-amino-2-(4-fluorobenzyl)-6-methyl-4-oxoheptanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB256	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](CC(=O)[C@@H](N)C(C)C)Cc2ccc(F)cc2	1
373	ethyl (2Z,4S)-4-{[(2S)-2-methyl-3-phenylpropanoyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB255	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](C)Cc2ccccc2	1
374	ethyl (2Z,4S)-4-[(N-{[(2-cyclopropylethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB258	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCCC3CC3	1
375	ethyl (2Z,4S)-4-{[N-(3-methylbutanoyl)-L-phenylalanyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB257	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](NC(=O)CC(C)C)Cc2ccccc2	1
376	ethyl (2Z,4S)-4-[(N-acetyl-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB261	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@@H](NC(=O)C)Cc2ccccc2	1
377	ethyl (2Z,4S)-4-[(N-{[(cyclobutylmethyl)amino](oxo)acetyl}-L-phenylalanyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	COVPDB260	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(=O)NCC3CCC3	1
378	ethyl (4S)-5-[(3S)-2-oxopyrrolidin-3-yl]-4-[(3-phenylpropanoyl)amino]pent-2-enoate	COVPDB265	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)CCc2ccccc2	1
379	Evobrutinib	COVPDB1123	C=CC(=O)N1CCC(CC1)CNc2ncnc(N)c2-c3ccc(cc3)Oc4ccccc4	1
380	F80C	COVPDB1198	COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC3CC3	1
381	Faropenem	COVPDB268	C[C@@H](O)[C@@H]1[C@H]2SC([C@H]3CCCO3)=C(N2C1=O)C(O)=O	6
382	FFRCK	COVPDB887	N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)CCl	1
383	FIIN-3	COVPDB798	COc1cc(OC)c(Cl)c(NC(=O)N(Cc2ccc(NC(=O)C=C)cc2)c2cc(Nc3ccc(cc3)N3CCN(C)CC3)ncn2)c1Cl	1
384	FM409	COVPDB349	CN(C)C(=O)C(/C#N)=C\c(o1)ccc1-c(n2[C@H]3CCCC[C@H]3C)nc(c24)cnc5c4cc[nH]5	1
385	FOR-LEU-ARG-SER-4AR	COVPDB220	CC(C)C[C@H](NC=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)COC(=O)c1c(C)cccc1C	1
386	fosfomycin	COVPDB793	C[C@@H]1O[C@@H]1P(O)(O)=O	6
387	FT827	COVPDB409	Cn1ncc(c12)c(=O)n(cn2)CC3(O)CCN(CC3)C(=O)c4ccc(cc4)-c5ccccc5NS(=O)(=O)C=C	1
388	GRL-024-20	COVPDB1440	COc1cccc(c12)[nH]c(c2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c(s4)nc(c45)cccc5	1
389	GW9662	COVPDB882	c1ccccc1NC(=O)c2cc([N+](=O)[O-])ccc2Cl	1
390	gylceraldehyde-3-phosphate	COVPDB826	O[C@H](COP(O)(O)=O)C=O	4
391	H3B-594	COVPDB783	c1ccccc1/C(CC)=C(/c(c2)ccc(c23)[nH]nc3)c4ccc(cc4)OCCNC/C=C/C(=O)N(C)C	1
392	H3B-6527	COVPDB436	CCN1CCN(CC1)c1ccc(Nc2cc(ncn2)N(C)C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c(NC(=O)C=C)c1	1
393	H3B-6545	COVPDB1140	CN(C)C(=O)/C=C/CNCCOc1ccc(cn1)/C(c(c2)ccc(c23)n[nH]c3F)=C(/CC(F)(F)F)c4ccccc4	1
394	HOIPIN1	COVPDB674	COc1ccccc1C(=O)\C=C\c1ccccc1C(O)=O	1
395	HOIPIN8 	COVPDB676	Cn1cc(cn1)-c1ccc(C(O)=O)c(\C=C\C(=O)c2c(F)cc(cc2F)-c2cn[nH]c2)c1	2
396	Hymeglusin	COVPDB780	C[C@H](CCCC[C@H]1OC(=O)[C@@H]1CO)C\C(C)=C\C(\C)=C\C(O)=O	1
397	hypothemycin	COVPDB914	Oc1cc(OC)cc(c12)[C@@H]3[C@H](O3)C[C@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O	1
398	Ibrutinib	COVPDB76	C=CC(=O)N1C[C@@H](CCC1)n2nc(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5	3
399	Imipenem	COVPDB942	C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O	23
400	inhibitor ZED1630	COVPDB92	Cc1scc(n1)C(=O)N[C@@H](CC/C=C/C(=O)OC)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(=O)N)Cc3c[nH]c(c34)cccc4	1
401	inhibitor ZED2360	COVPDB93	C=COC(=O)c1scc(n1)C(=O)N[C@@H](CC/C=C/C(=O)OC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N2[C@@H](CCC2)C(=O)N[C@H](C(=O)N3[C@H](C)CCC3)Cc4c[nH]c(c45)cccc5	1
402	Inosine 5′-monophosphate	COVPDB948	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c1nc[nH]c2=O	2
403	IOX3	COVPDB1423	OC(=O)CNC(=O)c1nc(Cl)c2ccccc2c1O	1
404	Isatin	COVPDB958	c1cccc(c12)NC(=O)C2=O	2
405	isovaleryl-b-keto-SNAC	COVPDB141	O=C(C)NCCSC(=O)CC(=O)CC(C)C	1
406	JBI484	COVPDB426	Fc1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C	1
407	JBI739	COVPDB427	FC(F)(F)c1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C	1
408	JCP598	COVPDB518	CCOC(=O)[C@H]1O[C@@H]1C(=O)N(CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
409	JLJ684	COVPDB442	N#Cc(c1)ccc(c12)c(N(C)C(=O)C=C)cc(c2C)Oc3c(cccc3)OCCn4ccc(=O)[nH]c4=O	1
410	JLJ686	COVPDB440	N#Cc(c1)ccc(c12)c(N(C)C(=O)CCl)cc(c2C)Oc3c(cccc3)OCCn4ccc(=O)[nH]c4=O	2
411	JS30	COVPDB966	CN(C)CCSSCCCC(=O)N1CCN(Cc2cccc3ccccc23)CC1	1
412	juglone	COVPDB1001	Oc1cccc(c12)C(=O)C=CC2=O	4
413	K11002	COVPDB1446	C1COCCN1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4	2
414	K11017	COVPDB601	C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCc2ccccc2)/C=C/S(=O)(=O)c3ccccc3	2
415	K11777	COVPDB672	c1ccccc1CC(=O)N[C@@H](CCc2ccccc2)/C=C/S(=O)(=O)c3ccccc3	2
416	KPT185	COVPDB1013	COc1cc(cc(c1)C(F)(F)F)-c2ncn(n2)/C=C/C(=O)OC(C)C	1
417	KPT-251	COVPDB245	FC(F)(F)c1cc(cc(c1)C(F)(F)F)-c2ncn(n2)/C=C/c3nnco3	1
418	KPT8602	COVPDB319	c1ncncc1/C(C(=O)N)=C/n2cnc(n2)-c3cc(C(F)(F)F)cc(c3)C(F)(F)F	1
419	KYT-36	COVPDB892	CN(NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)C(=O)NCc1ccccc1)c1ccccc1	1
420	L-873724	COVPDB1143	N#CCNC(=O)[C@H](CC(C)C)N[C@H](C(F)(F)F)c1ccc(cc1)-c2ccc(cc2)S(=O)(=O)N	1
421	L-citrulline	COVPDB641	N[C@@H](CCCNC(N)=O)C(O)=O	1
422	Leptomycin B	COVPDB1057	CC\C(\C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C\[C@H](C)C\C=C\C(\C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C\C(C)=C\C(O)=O	6
423	LL-AziDAP	COVPDB1502	N[C@@H](CCC[C@]1(CN1)C(O)=O)C(O)=O	1
424	LN2057	COVPDB1262	COc1ccc(NC(=O)C=C)cc1Nc2cc(ccn2)-c3[nH]c(SC)nc3-c4ccc(F)cc4	1
425	LN2380	COVPDB1263	COc1ccc(NC(=O)C=C)cc1Nc2cc(ccn2)-c3nc(CCCO)[nH]c3-c4ccc(F)cc4	1
426	LN2899	COVPDB1261	COCCSc1nc(-c2ccc(F)cc2)c([nH]1)-c3ccnc(c3)Nc4cc(NC(=O)C=C)ccc4OC	1
427	M4Z inhibitor	COVPDB27	NC(=O)CC[C@@H](C#N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c1cc(C)on1	1
428	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
429	methyl 1-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoline-6-carboxylate	COVPDB486	COC(=O)c(c1)ccc(c12)N(CCC2)C(=O)C=C	1
430	methyl (2E)-4-[(2-oxo-1,2,5,6,7,8-hexahydroquinolin-3-yl)formamido]but-2-enoate	COVPDB1049	COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCCC2	1
431	methyl (2E)‐4‐({2‐oxo‐1H,5H,6H,7H‐cyclopenta[b]pyridin‐3‐yl}formamido)but‐2‐enoate	COVPDB795	COC(=O)/C=C/CNC(=O)c(c(=O)[nH]1)cc(c12)CCC2	1
432	methyl 2-{N-[(3E,5E)-16-azido-2-oxohexadeca-3,5-dien-1-yl]-4-methylbenzenesulfonamido}acetate	COVPDB412	Cc1ccc(cc1)S(=O)(=O)N(CC(=O)OC)CC(=O)/C=C/C=C/CCCCCCCCCCN=[N+]=[N-]	1
433	methyl 2-{N-[(3E,5E)-2-oxohexadeca-3,5-dien-1-yl]-4-methylbenzenesulfonamido}acetate	COVPDB1349	CCCCCCCCCC/C=C/C=C/C(=O)CN(CC(=O)OC)S(=O)(=O)c1ccc(C)cc1	1
434	methyl 2-[N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamido]acetate	COVPDB998	COC(=O)CN(C(=O)C=C)c1nc(cs1)-c2ccccc2	1
435	Methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropenoate	COVPDB23	Cc1ccc(cc1)-c(c(c23)c(N)ncn3)c(/C=C(\C#N)C(=O)OC)n2/C=C/CO	1
436	Methyl-3,4-dephostatin	COVPDB1236	O=NN(C)c1ccc(O)c(c1)O	1
437	methyl (3E,5S)-5-[(2R)-2-{[(benzyloxy)carbonyl]amino}-3-phenylpropanamido]-2-oxohex-3-enoate	COVPDB69	COC(=O)C(=O)/C=C/[C@H](C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2	1
438	methyl 4-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoxaline-1-carboxylate	COVPDB460	c1cccc(c12)N(C(=O)C=C)CCN2C(=O)OC	1
439	Methyl isatin-7-carboxylate	COVPDB341	COC(=O)c(ccc1)c(c12)NC(=O)C2=O	1
440	MG132	COVPDB496	CC(C)C[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1	2
441	MIV-701	COVPDB903	O1CC(=O)[C@H]([C@H]12)N(C[C@@H]2F)C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4nc(sc4)N5CCN(C)CC5	1
442	MIV-710	COVPDB980	O=C1CO[C@@H]([C@@H]12)[C@H](Cl)CN2C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4nc(sc4F)N5CCN(C)CC5	1
443	MIV-711	COVPDB977	O=C1CO[C@@H]([C@@H]12)[C@H](C#C)CN2C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4nc(sc4F)N5CCN(C)CC5	1
444	ML175	COVPDB1097	O=[N+]([O-])c1ccc(cc1)N(C(=O)CCl)CCCNC(=O)C(F)(F)F	1
445	monobromobimane	COVPDB458	Cc1c(C)c(=O)n(n12)c(=O)c(C)c2CBr	1
446	morpholine-4-carboxylic acid [1-(2-benzylsulfanyl-1-formyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide	COVPDB608	C1COCCN1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)CSCc3ccccc3	1
447	MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE	COVPDB571	C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C#N)COCc2ccccc2	1
448	MRTX849	COVPDB1258	CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12	1
449	MS4138	COVPDB734	COc1cc2c(NCCCNC(=O)C=C)nc(nc2cc1OCCN)N1CCCC1	1
450	MS453	COVPDB351	COc1cc2nc(nc(NCCCNC(=O)C=C)c2cc1OC)N1CCCC1	1
451	MTSET	COVPDB769	C[N+](C)(C)CCSS(=O)(=O)C	2
452	N1-[(1S)-4-(carbamoylamino)-1-cyanobutyl]-N'1-[(1R)-1-(thiophen-3-yl)ethyl]cyclobutane-1,1-dicarboxamide	COVPDB599	c1cscc1[C@@H](C)NC(=O)C2(CCC2)C(=O)N[C@H](C#N)CCCNC(=O)N	1
453	N-{1-[(2,4-dichlorophenoxy)acetyl]piperidin-4-yl}ethenesulfonamide	COVPDB111	Clc1ccc(c(Cl)c1)OCC(=O)N2CCC(CC2)NS(=O)(=O)C=C	1
454	N-[1-(2,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide	COVPDB777	COc1cccc(OC)c1CN2CCC(CC2)NC(=O)CCCS	1
455	N-[1-(3-bromo-5,6-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide	COVPDB779	COc1cc(Br)cc(c1OC)CN2CCC(CC2)NC(=O)CCCS	1
456	N-(1-{[(5,7-dichloro-2,2-dimethyl-1,3-benzodioxol-4-yl)oxy]acetyl}piperidin-4-yl)ethenesulfonamide	COVPDB109	CC(O1)(C)Oc(c12)c(Cl)cc(Cl)c2OCC(=O)N3CCC(CC3)NS(=O)(=O)C=C	1
457	N-{1-[6-(phenylamino)pyrazin-2-yl]-1H-benzimidazol-6-yl}prop-2-enamide	COVPDB179	C=CC(=O)Nc(c1)ccc(c12)ncn2-c3cncc(n3)Nc4ccccc4	1
458	N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH YL]-L-ALANINAMIDE	COVPDB651	Fc1ccc(cc1)[C@@H](C(F)(F)F)N[C@H](C(=O)NC2(C#N)CC2)CS(=O)(=O)C[C@@H]3CCC(=O)N3	1
459	N-[1-methyl-2-oxo-3-(1-{[4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphthyridin-2-yl)phenyl]methyl}piperidin-4-yl)-2,3-dihydro-1H-1,3-benzodiazol-5-yl]prop-2-enamide	COVPDB829	Cn1c2ccc(NC(=O)C=C)cc2n(C2CCN(Cc3ccc(cc3)-c3nc4cc[nH]c(=O)c4cc3-c3ccccc3)CC2)c1=O	1
460	N-{1-[N-(2,4-dichlorophenyl)glycyl]piperidin-4-yl}ethenesulfonamide	COVPDB110	Clc1ccc(c(Cl)c1)NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C	1
461	N-{1-[N-(4,5-dichloro-2-hydroxyphenyl)glycyl]piperidin-4-yl}ethenesulfonamide	COVPDB107	Oc1cc(Cl)c(Cl)cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C	1
462	N-{1-[N-(4-chloro-5-iodo-2-methoxyphenyl)glycyl]piperidin-4-yl}ethenesulfonamide	COVPDB108	COc1cc(Cl)c(I)cc1NCC(=O)N2CCC(CC2)NS(=O)(=O)C=C	2
463	N-{1-[N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)glycyl]piperidin-4-yl}ethenesulfonamide	COVPDB112	n1snc(c12)c(Cl)cc(Cl)c2NCC(=O)N3CCC(CC3)NS(=O)(=O)C=C	1
464	N-(1-Pyrenyl)iodoacetamide	COVPDB91	c1ccc(c2c13)ccc4c2c(cc3)c(cc4)NC(=O)CI	1
465	N-{(1R)-3-phenyl-1-[2-(phenylsulfonyl)ethenyl]propyl}-N~2~-(piperazin-1-ylcarbonyl)-L-leucinamide	COVPDB11	CC(C)C[C@H](NC(=O)N1CCNCC1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1	1
466	N-[(1S)-1-benzyl-3-diazen-1-iumylidene-2-oxopropyl]glycinamide	COVPDB100	NCC(=O)N[C@@H](Cc1ccccc1)C(=O)C=[N+]=[N-]	1
467	N-[(1S)-2-{[(1R)-2-(benzyloxy)-1-cyano-1-methylethyl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	COVPDB1482	c1ccccc1COC[C@@](C)(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	1
468	N-[(1S)-2-{[(3S)-1-benzyl-3-cyanopyrrolidin-3-yl]amino}-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	COVPDB1481	O=C(N[C@]1(CCN(Cc2ccccc2)C1)C#N)[C@H](CC1CCCCC1)NC(=O)N1CCOCC1	1
469	N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide	COVPDB1480	C1CN(C)CCC1(C#N)NC(=O)[C@H](CC2CCCCC2)NC(=O)N3CCOCC3	1
470	N-[(1S)-3-amino-1-ethyl-2,3-dioxopropyl]-2-chloro-4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)benzamide	COVPDB1171	O=C(N)C(=O)[C@H](CC)NC(=O)c1ccc(c(c1Cl)C(F)(F)F)OCc2ccccn2	1
471	N-[2-(1-maleimidyl)ethyl]-7-(diethylamino)coumarin-3-carboxamide	COVPDB1089	CCN(CC)c(c1)ccc(c12)cc(c(o2)=O)C(=O)N/C=C/N3C(=O)C=CC3=O	1
472	N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE	COVPDB952	c1ccccc1COC(=O)N[C@@H](CC(C)C)c2nc(cs2)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	1
473	N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide	COVPDB232	Oc1c(O)cccc1C(=O)NCCN2C(=O)C=CC2=O	2
474	N-[2-({2-[(5-methoxypyridin-3-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)phenyl]prop-2-enamide	COVPDB327	COc1cncc(c1)Nc2ncc(C(F)(F)F)c(n2)Nc3ccccc3NC(=O)C=C	1
475	N-(2-{[2-(dimethylamino)ethyl]disulfanyl}ethyl)-2-methyl-1-benzofuran-3-carboxamide	COVPDB77	CN(C)CCSSCCNC(=O)c1c(C)oc2ccccc12	1
476	N-{2',4'-difluoro-4-hydroxy-[1,1'-biphenyl]-3-yl}-2-{[2-(dimethylamino)ethyl]disulfanyl}acetamide	COVPDB671	CN(C)CCSSCC(=O)Nc1cc(ccc1O)-c1ccc(F)cc1F	1
477	N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-fluorophenyl)acrylamide	COVPDB1463	COc1cc(OC)c(Cl)c(c1Cl)COc2cnc(nc2)Nc3c(NC(=O)C=C)cccc3F	1
478	N-(2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-3-methylphenyl)acrylamide	COVPDB1464	COc1cc(OC)c(Cl)c(c1Cl)COc2cnc(nc2)Nc3c(NC(=O)C=C)cccc3C	1
479	N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide	COVPDB312	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3NC(=O)C=C)n2)cc1	3
480	N-{2-[(5-chloro-2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)oxy]phenyl}prop-2-enamide	COVPDB313	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Oc3ccccc3NC(=O)C=C)n2)cc1	1
481	N-[2-({5-chloro-2-[(oxan-4-yl)amino]pyrimidin-4-yl}amino)phenyl]prop-2-enamide	COVPDB649	C1COCCC1Nc2ncc(Cl)c(n2)Nc3ccccc3NC(=O)C=C	1
482	N-[2-({[5-(DIMETHYLAMINO)NAPHTHALEN-1-YL]SULFONYL}AMINO)ETHYL]-2-IODOACETAMIDE	COVPDB214	CN(C)c1cccc(c12)c(ccc2)S(=O)(=O)NCCNC(=O)CI	1
483	N-[2-[[6-[2-[[2,6-bis(chloranyl)-3,5-dimethoxy-phenyl]amino]pyridin-3-yl]pyrimidin-4-yl]amino]-3-methyl-phenyl]prop-2-enamide	COVPDB595	Cc1cccc(NC(=O)C=C)c1Nc2cc(ncn2)-c3cccnc3Nc4c(Cl)c(OC)cc(c4Cl)OC	1
484	N-{2-[(6-{[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl][3-(4-methylpiperazin-1-yl)propyl]amino}pyrimidin-4-yl)amino]phenyl}prop-2-enamide	COVPDB1160	COc1cc(OC)c(Cl)c(NC(=O)N(CCCN2CCN(C)CC2)c2cc(Nc3ccccc3NC(=O)C=C)ncn2)c1Cl	1
485	N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)prop-2-enamide	COVPDB211	COc1cc(OC)c(Cl)c(c1Cl)-c(c2)ccc(c23)nc(nc3)Nc4c(C)cccc4NC(=O)C=C	1
486	N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE	COVPDB1138	N#CN1C[C@@H](CC1)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
487	N-[2-(bromoacetylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide	COVPDB434	CC(C)(COP(O)(O)=O)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)CBr	1
488	N-(2-chloro-5-{[(1-{[4-(5-oxo-3-phenyl-5,6-dihydro-1,6-naphthyridin-2-yl)phenyl]methyl}piperidin-4-yl)carbamoyl]amino}phenyl)prop-2-enamide	COVPDB830	C=CC(=O)Nc1cc(ccc1Cl)NC(=O)NC2CCN(CC2)Cc3ccc(cc3)-c(nc(c45)cc[nH]c5=O)c(c4)-c6ccccc6	1
489	N-(2-FERROCENYLETHYL)MALEIMIDE	COVPDB791	C1(N(C(=O)C=C1)CCC12[Fe]3456789%10C%11C3=C4C5=C6%11)=O.C7(C8=C19)=C2%10	1
490	N-[(2S)-1-[(3aS,6S,6aS)-6-fluoro-3-oxo-hexahydro-2H-furo[3,2-b]pyrrol-4-yl]-4-methyl-1-oxopentan-2-yl]-4-(thiophen-2-yl)benzamide	COVPDB909	O=C1CO[C@@H]([C@@H]12)[C@@H](F)CN2C(=O)[C@H](CC(C)C)NC(=O)c3ccc(cc3)-c4cccs4	1
491	N-[(2S)-2-{1-[(5E)-1-chloro-2-oxohept-5-en-3-yl]-1H-1,2,3-triazol-4-yl}-3-methylbutan-2-yl]benzamide	COVPDB890	C/C=C/C[C@H](C(=O)CCl)n1cc(nn1)[C@](C)(C(C)C)NC(=O)c2ccccc2	1
492	N-[(2S)-2-({(2S)-2-[(N-acetyl-D-alpha-aspartyl)amino]-7-methoxy-7-oxohepta-5-en-oyl}amino)butanoyl]-L-norleucyl-L-leucyl-L-prolyl-L-tryptophyl-L-proline	COVPDB94	CCCC[C@H](NC(=O)[C@H](CC)NC(=O)[C@H](CC\C=C\C(=O)OC)NC(=O)[C@@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(O)=O	1
493	~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	COVPDB800	c1cccc(c12)[nH]c(c2)C(=O)N[C@@H](Cc3cccc(F)c3)C(=O)N[C@H](C=O)C[C@@H]4CCNC4=O	1
494	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	COVPDB797	c1cccc(c12)[nH]c(c2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](C=O)C[C@@H]4CCNC4=O	1
495	N-({(2S,3S)-3-[(BENZYLAMINO)CARBONYL]OXIRAN-2-YL}CARBONYL)-L-ISOLEUCYL-L-PROLINE	COVPDB348	CC[C@H](C)[C@H](NC(=O)[C@H]1O[C@@H]1C(=O)NCc1ccccc1)C(=O)N1CCC[C@H]1C(O)=O	1
496	N-{[(2S,3S)-3-(ETHOXYCARBONYL)OXIRAN-2-YL]CARBONYL}-L-THREONYL-L-ISOLEUCINE	COVPDB6	CCOC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(O)=O	1
497	N-[(2S)-5-(carbamimidamidooxy)-1-oxo-1-{[(1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl]amino}pentan-2-yl]-4-methylpiperazine-1-carboxamide	COVPDB160	CN1CCN(CC1)C(=O)N[C@@H](CCCONC(N)=N)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1	1
498	N-(2-sulfanylethyl)benzamide	COVPDB554	c1ccccc1C(=O)NCCS	1
499	N-(3-(1-(((3S)-2-Hydroxy-5-oxotetrahydrofuran-3-yl)amino)-1-oxopropan-2-yl)-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-4-(quinoxalin-2-ylamino)benzamide	COVPDB659	O[C@H]1OC(=O)C[C@@H]1NC(=O)[C@H](C)n2c(=O)n(C)cc(c2=O)NC(=O)c3ccc(cc3)Nc(n4)cnc(c45)cccc5	1
500	N-[3-(1-{[4-(5-methyl-6-oxo-3-phenyl-1,6-dihydropyrazin-2-yl)phenyl]methyl}piperidin-4-yl)-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]prop-2-enamide	COVPDB1044	Cc1nc(-c2ccccc2)c([nH]c1=O)-c1ccc(CN2CCC(CC2)n2c3cc(NC(=O)C=C)ccc3[nH]c2=O)cc1	1
501	N-{3-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-5-yl}-2-(prop-2-enamido)benzamide	COVPDB433	COc1cc(cc(c1)OC)CCc2cc([nH]n2)NC(=O)c3ccccc3NC(=O)C=C	1
502	N-[3-[[2-[[4-(4-ethanoylpiperazin-1-yl)-2-methoxy-phenyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide	COVPDB399	CC(=O)N1CCN(CC1)c2ccc(c(c2)OC)Nc3ncc(C(F)(F)F)c(n3)Nc4cccc(c4)NC(=O)C=C	1
503	N-(3-{[2-amino-3-(4-phenoxyphenyl)pyridin-4-yl]oxy}phenyl)prop-2-enamide	COVPDB1031	Nc1nccc(Oc2cccc(NC(=O)C=C)c2)c1-c1ccc(Oc2ccccc2)cc1	1
504	N-[3‐[(2‐aminoethyl)disulfanyl]-1-oxopropyl]-tetrahydro-beta-carboline	COVPDB1092	NCCSSCCC(=O)N1CCc2c(C1)[nH]c1ccccc21	1
505	~{N}-[3-[3-ethyl-6-[4-(4-methylpiperazin-1-yl)phenyl]-4-oxidanylidene-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]prop-2-enamide	COVPDB879	C=CC(=O)Nc1cc(ccc1)-c2c([nH]c(c23)ncn(c3=O)CC)-c4ccc(cc4)N5CC[NH+](C)CC5	1
506	N-[3-({4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}oxy)phenyl]prop-2-enamide	COVPDB248	CN1CCN(CC1)c1cc(Nc2cc(C)[nH]n2)nc(Oc2cccc(NC(=O)C=C)c2)n1	1
507	N-(3-{[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]methyl}phenyl)ethene-1-sulfonamide	COVPDB1451	n1cnc(N)c(c12)c(nn2C(C)C)Cc3cccc(c3)NS(=O)(=O)C=C	1
508	~{N}-[3-(4-methoxy-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]prop-2-enamide	COVPDB880	n1cnc(OC)c(c12)c(c[nH]2)-c3cccc(c3)NC(=O)C=C	1
509	N-(3,5-dichloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)phenyl)acrylamide	COVPDB1466	COc1cc(OC)c(Cl)c(c1Cl)COc2cnc(nc2)Nc3c(NC(=O)C=C)cc(Cl)cc3Cl	1
510	N-[3-(6-methyl-1H-indazol-3-yl)phenyl]prop-2-enamide	COVPDB428	Cc(c1)ccc(c12)c(n[nH]2)-c3cccc(c3)NC(=O)C=C	1
511	N-(3-{7-amino-4-[(2-phenylethyl)amino]quinazolin-2-yl}phenyl)prop-2-enamide	COVPDB449	Nc1ccc2c(NCCc3ccccc3)nc(nc2c1)-c1cccc(NC(=O)C=C)c1	1
512	N-(3-{7H-pyrrolo[2,3-d]pyrimidin-4-yl}phenyl)prop-2-enamide	COVPDB370	C=CC(=O)Nc1cccc(c1)-c2ncnc(c23)[nH]cc3	1
513	N-(3-chloro-2-((5-((2,6-dichloro-3,5-dimethoxybenzyl)oxy)pyrimidin-2-yl)amino)-5-fluorophenyl)acrylamide	COVPDB1465	COc1cc(OC)c(Cl)c(c1Cl)COc2cnc(nc2)Nc3c(NC(=O)C=C)cc(F)cc3Cl	1
514	N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE	COVPDB441	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)c2ccoc2	1
515	N-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-(4-phenyl-1,3-thiazol-2-yl)prop-2-enamide	COVPDB997	Cc1cc(on1)CN(C(=O)C=C)c2nc(cs2)-c3ccccc3	1
516	N-[(3R,4R)-4-fluoro-1-{6-[(1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]prop-2-enamide	COVPDB394	C=CC(=O)N[C@@H]1CN(C[C@H]1F)c(n2)nc(c(c23)ncn3C(C)C)Nc4cnn(C)c4	1
517	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]prop-2-enamide	COVPDB395	COc1nn(C)cc1Nc2nc(nc(c23)n(cn3)C)N4C[C@@H](F)[C@@H](C4)NC(=O)C=C	1
518	N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-(propan-2-yl)-9H-purin-2-yl}pyrrolidin-3-yl]prop-2-enamide	COVPDB393	COc1nn(C)cc1Nc2nc(nc(c23)n(cn3)C(C)C)N4C[C@@H](F)[C@@H](C4)NC(=O)C=C	1
519	N-[(3R,4S)-4-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl]amino}oxolan-3-yl]prop-2-enamide	COVPDB1266	Clc1c(OC)cc(OC)c(Cl)c1-c(c2)c(=O)n(C)c(c23)nc(nc3)N[C@@H]4COC[C@@H]4NC(=O)C=C	1
520	N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide	COVPDB1467	COc1cc(OC)c(Cl)c(c1Cl)-c(cc2)cc(c23)cnc(n3)N[C@@H]4COCC[C@@H]4NC(=O)C=C	1
521	N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE	COVPDB665	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC=C(C)C)CC(=O)[C@H](C(C)C)NC(=O)c2cc(on2)C	1
522	N-(4-((2-((4-(4-methylpiperazin-1-yl)phenyl)amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)phenyl)acrylamide	COVPDB314	CN1CCN(CC1)c1ccc(Nc2nc(Oc3ccc(NC(=O)C=C)cc3)c3cc[nH]c3n2)cc1	1
523	N-(4-{[3-(3,5-dimethoxyphenyl)-7-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-2-oxo-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidin-1-yl]methyl}phenyl)prop-2-enamide	COVPDB178	COc1cc(OC)cc(c1)N1Cc2cnc(Nc3ccc(cc3)N3CCN(C)CC3)nc2N(Cc2ccc(NC(=O)C=C)cc2)C1=O	2
524	N‐(4‐(3‐Bromo‐4,5‐dihydroisoxazol‐5‐yl)phenyl)acetamide	COVPDB678	CC(=O)Nc1ccc(cc1)[C@H]2CC(Br)=NO2	1
525	N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide	COVPDB514	Cc(c1)ccc(c12)oc(c2C)-c(c(c34)c(N)n[nH]c4=O)n(n3)-c5ccc(cc5)CNC(=O)C=C	1
526	N-(4,4-dimethyl-2-prop-1-ynyl-3,1-benzoxazin-6-yl)-2-[3-methoxy-5-[(7-methoxy-4-quinolyl)oxy]-2-pyridyl]acetamide	COVPDB1161	COc(cc1)cc(c12)nccc2Oc3cnc(c(c3)OC)CC(=O)Nc(cc4)cc(c45)C(C)(C)OC(=N5)C#CC	1
527	N-(4-ethoxyquinazolin-2-yl)prop-2-enamide	COVPDB380	c1cccc(c12)nc(NC(=O)C=C)nc2OCC	3
528	N(4)-hydroxy-2'-deoxycytidine-5'-monophosphate	COVPDB1147	ONc1ccn([C@H]2C[C@H](O)[C@@H](COP(O)(O)=O)O2)c(=O)n1	1
529	N-[4-(morpholin-4-yl)thieno[2,3-d]pyrimidin-2-yl]prop-2-enamide	COVPDB382	C1COCCN1c(c(c23)ccs2)nc(n3)NC(=O)C=C	1
530	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE	COVPDB1276	C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3ccccc3	1
531	N-[4-(pyrimidin-2-yl)phenyl]prop-2-enamide	COVPDB461	C=CC(=O)Nc1ccc(cc1)-c2ncccn2	1
532	N5-(1-imino-2-chloroethyl)-L-lysine	COVPDB848	N[C@@H](CCCCNC(=N)CCl)C(O)=O	1
533	N5-(1-iminopentyl)-L-ornithine	COVPDB1072	CCCCC(=N)NCCC[C@H](N)C(O)=O	1
534	N5-(1-iminopropyl)-L-ornithine	COVPDB1071	CCC(=N)NCCC[C@H](N)C(O)=O	1
535	N-{5-[8-(4-methanesulfonamidophenyl)-2-oxo-1H,2H-benzo[h]1,6-naphthyridin-1-yl]-2-methylphenyl}prop-2-enamide	COVPDB891	C=CC(=O)Nc1cc(ccc1C)-n2c(=O)ccc(c23)cnc4c3ccc(c4)-c5ccc(cc5)NS(=O)(=O)C	1
536	N-[5-bromo-2-({[1-(prop-2-enoyl)azetidin-3-yl]carbamoyl}methoxy)phenyl]-3-methyl-1,2-oxazole-5-carboxamide	COVPDB1168	Cc1cc(on1)C(=O)Nc2cc(Br)ccc2OCC(=O)NC3CN(C3)C(=O)C=C	1
537	N-(5-hydroxynaphthalen-2-yl)prop-2-enamide	COVPDB347	Oc1cccc(c12)cc(cc2)NC(=O)C=C	1
538	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	COVPDB930	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)c2cc(on2)C	1
539	N-[(5Z)-5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide	COVPDB285	C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=C/c1ccccc1	1
540	N-[(5Z)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide	COVPDB259	Clc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3cccs3)C2=O)cc1Cl	1
541	N-[(5Z)-5-[(4-bromophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide	COVPDB267	Brc1ccc(\C=C2/SC(=S)N(NS(=O)(=O)c3ccccc3)C2=O)cc1	1
542	N-ACETYL-L-CYSTEINE	COVPDB1300	CC(=O)N[C@@H](CS)C(O)=O	1
543	N-acetyl-L-leucyl-L-phenylalanyl-N-[(1S,2R)-1-(2-carboxyethyl)-3-fluoro-2-oxopropyl]-L-phenylalaninamide	COVPDB639	CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC(O)=O)C(=O)CF	1
544	N-ACETYL-N-[1-(1,1'-BIPHENYL-4-YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-O-PHOSPHONOTYROSINAMIDE	COVPDB300	CC(=O)N[C@@H](Cc1ccc(OP(O)(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O	1
545	N-(adamantan-1-yl)-2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetamide	COVPDB163	c1cccc(c12)sn(c2=O)CC(=O)NC34C[C@@H]5C[C@H](C3)C[C@@H](C5)C4	1
546	naphthalene-1-thiol	COVPDB166	Sc1cccc2ccccc12	1
547	Narlaprevir	COVPDB1146	C1CC1NC(=O)C(=O)[C@H](CCCC)NC(=O)[C@H]([C@H]([C@H]23)C3(C)C)N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4	1
548	N-benzyl-2-cyanopyrimidine-5-carboxamide	COVPDB159	N#Cc1ncc(cn1)C(=O)NCc2ccccc2	2
549	N-benzyl-3-(2-cyano-6-propylpyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-5-(trifluoromethyl)benzamide	COVPDB1169	CCCc1cc(nc(n1)C#N)-c1cc(cc(c1)C(F)(F)F)C(=O)N(CCN(C)C)Cc1ccccc1	1
550	N-[(benzyloxy)carbonyl]-6-diazonio-5-oxo-L-norleucyl-L-valyl-L-prolyl-L-leucine	COVPDB5	CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(=O)C=[N+]=[N-])NC(=O)OCc1ccccc1)C(C)C)C(O)=O	1
551	N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxymethyl)-3-fluoro-2-oxopropyl]-L-alaninamide	COVPDB638	CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(O)=O)C(=O)CF	1
552	N-carbamoyl-D-aspartic acid	COVPDB609	NC(=O)N[C@H](CC(O)=O)C(O)=O	1
553	N-carbamoylputrescine	COVPDB1129	NCCCCNC(O)=O	1
554	NCL-00025058	COVPDB1374	ClCC(=O)N[C@H]([C@@H](C)O)C(=O)NCC=C	1
555	NCL-00025412	COVPDB1375	ClCC(=O)N[C@@H](CC(=O)N)C(=O)NCC=C	1
556	N-(cyanomethyl)-2-({3-[2-(3,5-dichlorophenyl)-2-methylpropanoyl]-4-methoxyphenyl}formamido)acetamide	COVPDB203	N#CCNC(=O)CNC(=O)c1ccc(OC)c(c1)C(=O)C(C)(C)c2cc(Cl)cc(Cl)c2	1
557	N-Cyanomethyl-Nalpha-(diphenylacetyl)-3-methylphenylalaninamide 	COVPDB484	c1ccccc1C(c2ccccc2)C(=O)N[C@H](C(=O)NCC#N)Cc3cc(C)ccc3	1
558	neratinib	COVPDB910	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	1
559	N-Ethyl 4-((1-cycloheptyl-1,2-dihydropyrazol-3-one-5-yl)-amino)-4-oxo-2Z-butenamide	COVPDB1159	CCNC(=O)/C=C\C(=O)Nc1cc(O)nn1C2CCCCCC2	1
560	NG-P27	COVPDB373	OC(=O)\C=C1\CCCC1=O	1
561	N-(iodoacetyl)-L-valyl-L-phenylalaninamide	COVPDB960	ICC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C(=O)N)Cc1ccccc1	1
562	N-Methylisatin	COVPDB342	CN1C(=O)C(=O)c(c12)cccc2	1
563	N,N′-dimethyl-N-(iodoacetyl)-N′-(7-nitrobenz-2-oxa-1,3-diazol-4-yl)ethylenediamine	COVPDB1477	ICC(=O)N(C)CCN(C)c1ccc([N+]([O-])=O)c(c12)non2	6
564	N,N'-ethane-1,2-diylbis(2-iodoacetamide)	COVPDB745	ICC(=O)NCCNC(=O)CI	1
565	N-(pyridin‐2‐yl)isoselenazolinone	COVPDB1075	c1cccc(c12)[se]n(c2=O)-c3ccccn3	1
566	N-[(S)-(1-{[(3-{[2-(2-azidoacetamido)ethyl]disulfanyl}propyl)carbamoyl]methyl}-1H-1,2,3-triazol-5-yl)(phenyl)methyl]-4-sulfamoylbenzamide	COVPDB681	NS(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](c2ccccc2)c3cnnn3CC(=O)NCCCSSCCNC(=O)CN=[N+]=[N-]	1
567	NS-134	COVPDB764	COC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(O)=O	1
568	NSC697923	COVPDB1128	Cc1ccc(cc1)S(=O)(=O)c2ccc(o2)[N+](=O)[O-]	1
569	N-(tert-butoxycarbonyl)-L-seryl-L-valyl-N-{(2S)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-3-en-2-yl}-L-leucinamide	COVPDB636	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)OC(C)(C)C	1
570	NVP-ABE854	COVPDB945	CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1	1
571	NVP-ABI491	COVPDB946	c1cncn1CCCOc2ccccc2Nc(nc(n3)C#N)c(c34)ncn4C5CCCC5	1
572	NVP-ABJ688	COVPDB947	CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1	1
573	Odanacatib	COVPDB350	C1CC1(C#N)NC(=O)[C@H](CC(F)(C)C)N[C@H](C(F)(F)F)c2ccc(cc2)-c3ccc(cc3)S(=O)(=O)C	1
574	OL-135	COVPDB578	BrCc1ccc(nc1)-c2cnc(o2)C(=O)CCCCCCc3ccccc3	1
575	Osimertinib	COVPDB1493	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12	1
576	oxaloacetic acid	COVPDB1172	OC(=O)CC(=O)C(O)=O	1
577	Oxanosine monophosphate	COVPDB996	Nc1nc2n(cnc2c(=O)o1)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O	1
578	panipenem	COVPDB733	C[C@@H](O)[C@@H]1[C@H]2CC(S[C@H]3CCN(C3)C(C)=N)=C(N2C1=O)C(O)=O	1
579	Papain-like protease peptide inhibitor VIR250	COVPDB637	COC(=O)\C=C\CNC(=O)CNC(=O)[C@H](CN)NC(=O)[C@H](CCc1nc2ccccc2s1)NC(C)=O	1
580	parthenolide	COVPDB1084	C1C/C=C(/C)CC[C@@H](C(C(O2)=O)=C)[C@H]2[C@H](O3)[C@]13C	1
581	PAS219	COVPDB106	O=Cc1ccccc1OP(=O)([O-])OCC2CCCCC2	1
582	PASBN	COVPDB1238	c1ccccc1COP([O-])(=O)Oc2ccccc2C=O	1
583	p-azido ebselen	COVPDB335	[N-]=[N+]=Nc1ccc(cc1)-n(c2=O)[se]c(c23)cccc3	1
584	PBTZ169	COVPDB119	[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC2CCCCC2)CC1)C(F)(F)F	2
585	PCM-0102121	COVPDB1365	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)s2	1
586	PCM-0102142	COVPDB1406	ClCC(=O)NNC(=O)c(s1)cc(c12)CCCC2	1
587	PCM-0102153	COVPDB970	ClCC(=O)NC(=O)OCc1ccccc1	1
588	PCM-0102169	COVPDB1362	ClCC(=O)N1CCN(Cc2ccc(Br)s2)CC1	1
589	PCM-0102179	COVPDB1361	ClCC(=O)Nc1cccc(c1)N2CCCC2=O	1
590	PCM-0102190	COVPDB1360	ClCC(=O)N[C@H](C)c1cccc(Cl)c1	1
591	PCM-0102201	COVPDB1338	Fc1cccc(F)c1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
592	PCM-0102241	COVPDB1331	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2cccs2	1
593	PCM-0102248	COVPDB1407	ClCC(=O)N1CCN(CC1)C(=O)c2ccco2	1
594	PCM-0102254	COVPDB1369	COc1ccc(cc1)N2CCN(CC2)C(=O)CCl	1
595	PCM-0102269	COVPDB1342	ClCC(=O)N1CCN(Cc2cccc(Cl)c2)CC1	1
596	PCM-0102274	COVPDB1371	ClCC(=O)Nc1cccnc1Cl	1
597	PCM-0102275	COVPDB1345	ClCC(=O)N[C@@H](C)c1cccc(c12)cccc2	1
598	PCM-0102277	COVPDB1352	ClCC(=O)N1CCN(Cc2ccc(Cl)s2)CC1	1
599	PCM-0102281	COVPDB1340	Fc1ccccc1S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
600	PCM-0102287	COVPDB1346	ClCC(=O)N1CCN(CC1)Cc2cccc(c23)cccc3	1
601	PCM-0102305	COVPDB973	Fc1ccc(cc1C)CNC(=O)CCl	1
602	PCM-0102306	COVPDB1367	ClCC(=O)N1CCN(CC1)C(=O)c2cccs2	1
603	PCM-0102327	COVPDB1332	Fc1cccc(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
604	PCM-0102340	COVPDB1334	Cc1cccc(CN2CCN(CC2)C(=O)CCl)c1	1
605	PCM-0102353	COVPDB1353	Cc1ccc(C)c(c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
606	PCM-0102372	COVPDB1351	O=S1(=O)C[C@H](C=C1)N(C(=O)CCl)c2ccccc2	1
607	PCM-0102389	COVPDB1356	Oc1ccccc1NC(=O)C2CCN(CC2)C(=O)CCl	1
608	PCM-0102395	COVPDB1343	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccccc2C#N	1
609	PCM-0102425	COVPDB1336	ClCC(=O)N1CCC[C@H](C1)c(s2)nc(c23)cccc3	1
610	PCM-0102432	COVPDB1364	c1cccc(c12)[C@@H](CN(C2)C(=O)CCl)c3ccccc3	1
611	PCM-0102500	COVPDB974	Cc1cc(no1)NC(=O)CCl	1
612	PCM-0102535	COVPDB1372	CC(=O)N1CCN(CC1)C(=O)CCl	1
613	PCM-0102539	COVPDB1357	Cc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
614	PCM-0102575	COVPDB1355	ClCC(=O)N1CCC(CC1)NC(=O)c2ccccc2	1
615	PCM-0102578	COVPDB1337	ClCC(=O)NCc(c1)ccc(c12)OCO2	1
616	PCM-0102615	COVPDB1339	Fc1ccc(cc1)[C@H]2CN(CCO2)C(=O)CCl	1
617	PCM-0102628	COVPDB1408	Cc1ccc(c(C)c1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
618	PCM-0102660	COVPDB979	Cc1ccc(cc1)/C=N/C(=O)CCl	1
619	PCM-0102704	COVPDB1350	ClCC(=O)N1CCN(CC1)S(=O)(=O)c2ccc(Cl)cc2	1
620	PCM-0102739	COVPDB1363	ClCC(=O)N1CCN(Cc2ccsc2)CC1	1
621	PCM-0102759	COVPDB1405	Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=O)CCl	1
622	PCM-0102821	COVPDB975	Cc1cccc(c1)/C=N/C(=O)CCl	1
623	PCM-0102868	COVPDB1358	Fc1ccc(cc1)N(C(=O)CCl)[C@@H](CS2(=O)=O)C=C2	1
624	PCM-0102911	COVPDB1347	Cc1ccccc1CN1CCCN(CC1)C(=O)CCl	1
625	PCM-0102954	COVPDB982	ClCC(=O)NNC(=O)c1ccccc1Cl	1
626	PCM-0102962	COVPDB1404	Cc1ccc(cc1)C(=O)N2CCN(CC2)C(=O)CCl	1
627	PCM-0102972	COVPDB1359	ClCC(=O)N1CCC(CC1)C(=O)N2CCCCC2	1
628	PCM-0102974	COVPDB1370	CC(C)N(C)C(=O)C1CCN(CC1)C(=O)CCl	1
629	PCM-0102998	COVPDB978	ClCC(=O)NNC(=O)C[C@@H](CS1(=O)=O)CC1	1
630	PCM-0103007	COVPDB981	ClCC(=O)NCC#Cc1ccccc1	1
631	PCM-0103011	COVPDB976	FC(F)(F)c1cccc(c1)C#CCNC(=O)CCl	1
632	PCM-0103016	COVPDB1335	[O-][N+](=O)c1ccccc1N2CCN(CC2)C(=O)CCl	1
633	PCM-0103050	COVPDB972	ClCC(=O)NCc1cc(Br)cs1	1
634	PCM-0103067	COVPDB1354	COc1cccc(c12)sc(n2)NC(=O)CCl	1
635	PCM-0103072	COVPDB1344	ClCC(=O)Nc1cccc(c1)C(=O)N2CCSCC2	1
636	PCM-0103080	COVPDB983	ClCC(=O)NCc1ccc(Cl)s1	1
637	PD168393	COVPDB705	C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3cccc(Br)c3	3
638	Peptide inhibitor MPT-DPP-DAR-G-DPN-NH2	COVPDB1105	N[C@@H](CNC(=O)CCS)C(=O)N[C@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O	1
639	peptide inhibitor, syc8	COVPDB80	c1ccccc1C[C@@H](C(=O)N[C@H](C=O)CNC(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
640	PF-06651600	COVPDB361	C=CC(=O)N1C[C@@H](CC[C@@H]1C)Nc2ncnc(c23)[nH]cc3	1
641	PF868554	COVPDB488	CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(O)=O)NC(=O)OCc1ccccc1)\C=C\C(=O)c1ccccc1	1
642	PG-COV-34	COVPDB1426	c1ccccc1N(C)C(=O)C2CCN(CC2)C(=O)CCl	1
643	PG-COV-42	COVPDB1424	COc1ccc(cn1)NC(=O)C2CCN(CC2)C(=O)CCl	1
644	Phenylarsine oxide	COVPDB1214	O=[As]c1ccccc1	3
645	Phenyl isothiocyanate	COVPDB16	S=C=Nc1ccccc1	1
646	(phenylmethyl) (4~{S})-4-[[(2~{S})-4-methyl-2-[[(2~{S})-3-methyl-2-[[(2~{S})-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]propanoyl]amino]butanoyl]amino]pentanoyl]amino]-5-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate	COVPDB1228	Cc1onc(c1)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)/C=C\C(=O)OCc3ccccc3	8
647	PHENYLMETHYL N-[(2S)-4-CHLORO-3-OXO-1-PHENYL-BUTAN-2-YL]CARBAMATE	COVPDB1474	c1ccccc1C[C@@H](C(=O)CCl)NC(=O)OCc2ccccc2	1
648	phenylmethyl N-[(2S)-4-methyl-1-[[(3R)-1-[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]-4-oxo-pyrrolidin-3-yl]amino]-1-oxo-pentan-2-yl]carbamate	COVPDB1218	c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CN(CC2=O)C(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	1
649	phenylpyruvate	COVPDB902	OC(=O)C(=O)Cc1ccccc1	9
650	phenyl vinylsulfonate	COVPDB1240	C=CS(=O)(=O)Oc1ccccc1	1
651	Phenyl Vinyl Sulfonyl	COVPDB1243	C=CS(=O)(=O)c1ccccc1	1
652	Phosphonoacetaldehyde	COVPDB1233	OP(O)(=O)CC=O	2
653	(PHQ)LPA(B27) PEPTIDE	COVPDB525	c1ccccc1COC(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C)C(=O)N[C@H](CS)[C@@H](C)O	1
654	PIRONETIN	COVPDB1459	CC[C@@H]1CCC(=O)O[C@@H]1C[C@@H](O)[C@H](C)[C@H](OC)[C@@H](C)C/C=C/C	1
655	PMX464	COVPDB1244	c1cccc(c12)sc(n2)C3(O)C=CC(=O)C=C3	1
656	p-nitrophenyl iodoisocyanide	COVPDB1256	IC#[N+]c1ccc([N+]([O-])=O)cc1	1
657	propan-2-yl N-[(1S)-1-{[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]carbamoyl}-2-phenylethyl]carbamate	COVPDB862	c1ccccc1C[C@H](NC(=O)OC(C)C)C(=O)N[C@H](C=O)C[C@@H]2CCNC2=O	1
658	propyl (2R)-4-{2-[4-(1-aminocyclopropyl)phenyl]-4-chloroquinoline-7-carbonyl}-2-methylpiperazine-1-carboxylate	COVPDB471	CCCOC(=O)N1CCN(C[C@H]1C)C(=O)c(c2)ccc(c23)c(Cl)cc(n3)-c4ccc(cc4)C5(N)CC5	1
659	propyl (3S)-4-[(6R)-6-(aminomethyl)-9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl]-3-methylpiperazine-1-carboxylate	COVPDB407	CCCOC(=O)N1CCN([C@@H](C)C1)C(=O)c1ccc2c(Cl)c3CC[C@@H](CN)Cc3nc2c1	1
660	PROSTAGLANDIN A1	COVPDB1287	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O	1
661	Pyridoxal	COVPDB1413	Cc1ncc(CO)c(C=O)c1O	2
662	(R)-1-(3-(4-amino-3-(naphthalen-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one	COVPDB315	C=CC(=O)N1CCC[C@H](C1)n(c(c23)ncnc3N)nc2-c4cccc(c45)cccc5	1
663	(R)-2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid	COVPDB926	CN(C)C\C=C\C(=O)Nc1cccc(c1)[C@@H](OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1	1
664	Rao-IV-151	COVPDB338	c1cc(Cl)ccc1-c(c(c23)c(N)ncn2)c(n3CCOC)/C=C(\C#N)C(=O)NC(C)C	1
665	Ratjadone A	COVPDB1281	C/C=C/[C@H]1[C@@H](C)[C@@H](O)C[C@H](O1)[C@@H](O)/C=C/C=C(\C)C[C@H](C)/C=C(\C)/C=C/[C@H]2CC=CC(=O)O2	2
666	[Rh(Cp-Mal)(COD)] (NB4-Rh)	COVPDB1285	[Rh]12345678C9C1CCC2C3CC9.C1=CC(N(C1=O)CCC41C5C6C7C81)=O	1
667	RL3	COVPDB1323	CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	2
668	Roxarsone	COVPDB1293	OC1=CC=C(C=C1[N+]([O-])=O)[As](O)(O)=O	2
669	RR6	COVPDB1288	OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)Cc1ccccc1	1
670	(R,S)-GC376	COVPDB1514	CC(C)C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)S(O)(=O)=O	2
671	RU78262	COVPDB118	OP(O)(=O)Oc1ccccc1C=O	1
672	RU78299	COVPDB121	Cc1cc(C=O)c(OP(O)(O)=O)c(C=O)c1	1
673	RU78300	COVPDB170	COc1cccc(C=O)c1OP(O)(O)=O	1
674	RU82129	COVPDB391	CC(=O)N\C(=C/c1ccc(CC(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O	1
675	RU82197	COVPDB73	CC(=O)N[C@@H](Cc1ccc(C(O)=O)c(C=O)c1)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O	1
676	Ru(bpy)2(A-Phen)(K97C)	COVPDB1290	[Ru++].C1=CN=C(C=C1)C1=CC=CC=N1.C1=CN=C(C=C1)C1=NC=CC=C1.ICC(=O)Nc1cc2C=CC=Nc2c2N=CC=Cc12	3
677	Rupintrivir	COVPDB489	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](Cc2ccc(F)cc2)CC(=O)[C@H](C(C)C)NC(=O)c3noc(C)c3	8
678	(S)-1-(4-(2-((1-(dimethylamino)propan-2-yl)oxy)-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl)prop-2-en-1-one	COVPDB1015	C[C@@H](CN(C)C)Oc1nc2CN(CCc2c(n1)N1CCN(CC1)C(=O)C=C)c1cc(O)cc2ccccc12	1
679	(S)-2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid	COVPDB925	CN(C)C\C=C\C(=O)Nc1cccc(c1)[C@H](OCCN1CCCCC1)c1cc2nccc(C(O)=O)c2s1	1
680	S49365a	COVPDB537	C(C=C)(=O)N1CCN(CC1)CCC=1C=NN(C1)C1=NC=CC2=C1N=CNC2=O	1
681	(S)-aziridin-2-yl(4-(6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl)piperazin-1-yl)methanone	COVPDB413	Cc1ccc2[nH]ncc2c1-c1c(Cl)cc2c(ncnc2c1F)N1CCN(CC1)C(=O)[C@@H]1CN1	1
682	SB1453	COVPDB1348	CN1CCN(Cc2ccc(cc2)C(=O)NCc2cccc(COc3ccccc3NC(=O)c3cc(ccc3Cl)[N+]([O-])=O)c2)CC1	1
683	SB1494	COVPDB473	CN1CCN(Cc2ccc(cc2)C(=O)NCc2cccc(CO[C@@H]3CCC[C@@H]3NC(=O)C(=C\C(C)(C)C)\C#N)c2)CC1	1
684	SB1-G-23	COVPDB1189	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[C@@H]5CCN(C5)C(=O)C=C)n4)c3)cc2C(F)(F)F)CC1	1
685	SC1475	COVPDB1278	COC1=C(OC)C(=O)C(=CC1=O)[C@@H](C=C)c2ccccc2	1
686	SC1982	COVPDB1177	O[C@H]1CCC(C)(C)[C@H]([C@]123)[C@H](O)[C@@](O)(OC2)[C@]45[C@H]3CC[C@H]([C@H]4O)C(=C)C5=O	1
687	SigA peptide	COVPDB919	CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(C)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(O)=O	1
688	SM130	COVPDB605	CN[C@@H](C)C(=O)N[C@H]1[C@@H](CNC(=O)C=C)CC[C@H]2C=C[C@H](N2C1=O)C(=O)NCc1ccccc1	1
689	SML-8-73-1	COVPDB1484	Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OCCNC(=O)CCl)[C@@H](O)[C@H]1O	1
690	(S)-N-(6-(5-Phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,3-dihydro-1H-inden-1-yl)cyanamide	COVPDB831	N#CN[C@H]1CCc(c12)ccc(c2)-c3ncnc(c34)[nH]cc4-c5ccccc5	1
691	SNAP-Vista Green™ reagent	COVPDB771	Nc1nc(OCc2ccc(CNC(=O)c3ccc(c(c3)C(O)=O)-c3c4ccc(O)cc4oc4cc(=O)ccc34)cc2)c2nc[nH]c2n1	1
692	SNJ-1715	COVPDB31	OCC[C@@H](C=O)NC(=O)[C@H](CC(C)C)NC(=S)Nc1ccccc1	1
693	SNJ-1945	COVPDB677	COCCOCCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)C(=O)NC1CC1)Cc2ccccc2	1
694	sPBTZ169	COVPDB767	[O-][N+](=O)c1cc(cc2c1sc(nc2=O)N1CCN(CC1)S(=O)(=O)C1CCCCC1)C(F)(F)F	1
695	(S)-Phosphostim	COVPDB1299	BrC[C@@](C)(O)CCOP(=O)([O-])OP(=O)([O-])[O-]	1
696	SS-(2-hydroxyethyl) O-decyl ester carbono(dithioperoxoic) acid	COVPDB687	CCCCCCCCCCOC(=O)SSCCO	2
697	(S,S)-GC376	COVPDB1009	CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(O)(=O)=O	9
698	Succinic semialdehyde	COVPDB1327	OC(=O)CCC=O	1
699	Suc-Val-Pro-LysP-(OPh)2	COVPDB20	C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)CF)CCc2ccccc2	1
700	T0070907	COVPDB752	Clc1ccc([N+](=O)[O-])cc1C(=O)Nc2ccncc2	1
701	TAS-120	COVPDB1403	COc1cc(cc(c1)OC)C#Cc(c(c23)c(N)ncn3)nn2[C@H]4CCN(C4)C(=O)C=C	1
702	TD3	COVPDB748	c1[nH]nnc1SSc2c[nH]nn2	1
703	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
704	TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE	COVPDB1381	CC(C)(C)OC(=O)N[C@H](C=O)C1CCCCC1	1
705	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropenoate	COVPDB24	Cc1ccc(cc1)-c2c(/C=C(\C#N)C(=O)OC(C)(C)C)n(CCCO)c(c23)ncnc3N	1
706	tert-butyl 4-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoxaline-1-carboxylate	COVPDB477	c1cccc(c12)N(C(=O)C=C)CCN2C(=O)OC(C)(C)C	1
707	tert-butyl N-[(4S,7S,10S)-7-(cyclohexylmethyl)-10-formyl-5,8,13-trioxo-22-oxa-6,9,14,20,21-pentaazabicyclo[17.2.1]docosa-1(21),19-dien-4-yl]carbamate	COVPDB1438	CC(C)(C)OC(=O)N[C@@H](CCc(oc12)nn2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](C=O)CCC(=O)NCCCC1	1
708	tert-butyl N-[(4S,7S,10S)-7-(cyclohexylmethyl)-10-formyl-5,8,13-trioxo-23-oxa-6,9,14,21,22-pentaazabicyclo[18.2.1]tricosa-1(22),20-dien-4-yl]carbamate	COVPDB1439	CC(C)(C)OC(=O)N[C@@H](CCc(oc12)nn2)C(=O)N[C@@H](CC3CCCCC3)C(=O)N[C@H](C=O)CCC(=O)NCCCCC1	2
709	tert-Butyl ((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)carbamate	COVPDB411	O=C1NCC[C@H]1C[C@H](NC(=O)OC(C)(C)C)C(=O)C(=O)NCc2ccccc2	1
710	tetramethylazodicarboxamide	COVPDB1077	CN(C)C(=O)/N=N/C(=O)N(C)C	1
711	TG-0203770	COVPDB1387	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)OCC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc2ccccc2	1
712	TG-0204998	COVPDB1507	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CNC(=O)C(C)(C)C)NC(=O)OCc2ccccc2	2
713	TG-0205221	COVPDB1148	c1ccccc1COC(=O)N[C@@H]([C@@H](C)OC(C)(C)C)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](C=O)C[C@@H]3CCNC3=O	2
714	TG-0205486	COVPDB1508	O=C1NCC[C@H]1C[C@@H](/C=C/C(=O)C2CC2)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)OC(C)(C)C)NC(=O)OCc3ccccc3	1
715	THALASSOSPIRAMIDE C	COVPDB828	CCCCCC/C=C\CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@H]2COC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](C(C)C)NC(=O)/C=C\2	1
716	Tirabrutinib	COVPDB360	CC#CC(=O)N1CC[C@H](C1)n2c(=O)n(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5	1
717	TK22	COVPDB1201	COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC	1
718	TL10-105	COVPDB1190	CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(N[C@H]5CCN(C5)C(=O)C=C)n4)c3)cc2C(F)(F)F)CC1	1
719	TL10-92	COVPDB1373	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1	1
720	TL11-128	COVPDB318	Cn1cc(cn1)Nc2ncc(Cl)c(n2)Oc3ccccc3NC(=O)C=C	1
721	TLCK	COVPDB644	Cc1ccc(cc1)S(=O)(=O)N[C@@H](CCCCN)C(=O)CCl	3
722	TX64063	COVPDB250	N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nn(C)c3-c4cccnc4	1
723	UAW243	COVPDB1432	c1cccnc1CNC(=O)C(=O)[C@H](CCC)NC(=O)[C@H](CC(C)C)NC(=O)Oc2ccccc2	1
724	UAW246	COVPDB1211	O=C1NCC[C@H]1C[C@@H](C(=O)C(=O)NC2CC2)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	3
725	UAW248	COVPDB1431	c1ccccc1OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(=O)C(=O)NC3CC3	1
726	UDP-Glc	COVPDB1425	OC[C@H]1O[C@H](OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H](O)[C@@H]1O	1
727	VX-765	COVPDB1213	CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)(C)C)NC(=O)c3ccc(N)c(Cl)c3	1
728	WIN18,446	COVPDB660	ClC(Cl)C(=O)NCCCCCCCCNC(=O)C(Cl)Cl	1
729	WR13(R,R)	COVPDB1153	CCOC(=O)[C@@H](C)[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	1
730	WR18(S,S)	COVPDB1152	CCOC(=O)[C@@H]1O[C@@H]1C(=O)N[C@@H](CCC#N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	1
731	WRR-112	COVPDB1283	CC(C)CCNC(=O)[C@H](CCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(O)=O	1
732	WRR-204	COVPDB1450	c1ccccc1COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)Oc4ccccc4	1
733	WRR286	COVPDB1449	CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)NOCc1ccccc1	2
734	WRR391	COVPDB457	CCOC(=O)C1CCN(CC1)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccn4	1
735	WRR483	COVPDB234	CN1CCN(CC1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1	1
736	WRR-99	COVPDB1274	CC(C)CCNC(=O)[C@@H](CCc1ccccc1)NC(=O)[C@H]1O[C@@H]1C(O)=O	1
737	Z147647874	COVPDB1368	ClCC(=O)N1CCN(Cc2cccs2)CC1	2
738	Z4439011520	COVPDB1418	COc1ccc(c(C)c1)NC(=O)[C@H](N(C(=O)C=C)c2cc(on2)C(C)(C)C)c3cccnc3	1
739	Z4439011584	COVPDB1420	CCc1cccc(C)c1NC(=O)[C@H](N(C(=O)C=C)c2cc([nH]n2)C(C)(C)C)c3cccnc3	2
740	Z4439011588	COVPDB1419	CCc1cccc(C)c1NC(=O)[C@@H](c2cccnc2)N(C(=O)C=C)c3ccc(nc3)C(C)C	1
741	Z4439011607	COVPDB1417	c1ccncc1[C@H](C(=O)NC(C)(C)C)N(C(=O)C=C)c2cc(on2)C(C)(C)C	1
742	(Z6-benzene)Ru(1-{5-[bis(pyridin-2-yl)]pentyl}pyrrole2,5-dione)Cl	COVPDB1492	Cl[Ru].O=C1C=CC(=O)N1CCCCCN(C1=CC=CC=N1)C1=NC=CC=C1	1
743	(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid	COVPDB406	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O	1
744	Zanubrutinib	COVPDB542	C=CC(=O)N1CCC(CC1)[C@@H]2CCNc(n23)c(C(=O)N)c(n3)-c4ccc(cc4)Oc5ccccc5	1
745	ZLAK-3001	COVPDB876	n1cnc(N)c(c12)ncn2CCCNC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)OCc3ccccc3	1
746	ZLLYCH2F	COVPDB600	Oc1ccc(cc1)C[C@@H](C(=O)CF)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2	1
747	Z-Phe-Tyr (OBut)-COCHO	COVPDB928	CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	1
748	Z-Phe-Tyr(t-Bu)-diazomethylketone	COVPDB927	CC(C)(C)Oc1ccc(cc1)C[C@@H](C(=O)C=[N+]=[N-])NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc3ccccc3	1