Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	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
2	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
3	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
4	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
5	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
6	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
7	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
8	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
9	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
10	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
11	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
12	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
13	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
14	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
15	1-(4-ethylbenzene)prop-2-en-1-one	COVPDB934	CCc1ccc(cc1)C(=O)C=C	1
16	15-deoxy-delta12,14-prostaglandin J2	COVPDB1241	CCCCC\C=C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O	1
17	15-oxo-eicosatetraenoic acid	COVPDB1176	CCCCCC(=O)\C=C\C=C/C\C=C\C\C=C\CCCC(O)=O	1
18	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
19	{[(1E)-4-amino-3-oxopenta-1,4-dien-1-yl]oxy}phosphonic acid	COVPDB1039	NC(=C)C(=O)\C=C\OP(O)(O)=O	1
20	1-phenyl-2-propen-1-one	COVPDB931	C=CC(=O)c1ccccc1	1
21	(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
22	(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
23	2-[(1R,3R,7E,17beta)-1,3-Dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-oct-6-en-4-yn-3-one	COVPDB448	C/C=C/C#CC(=O)[C@@H](C)[C@H]1CC[C@H]([C@@]12C)/C(CCC2)=C/C=C3\C[C@@H](O)C(=C)[C@H](O)C3	1
24	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
25	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
26	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
27	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
28	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
29	2-azanylpenta-1,4-dien-3-one	COVPDB324	NC(=C)C(=O)C=C	1
30	(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
31	(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
32	[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
33	2-Methylenetetralone	COVPDB1210	O=C1C(=C)CCc(c12)cccc2	1
34	({[(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
35	({[({[(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
36	(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
37	(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
38	(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
39	(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
40	2-vinyl glyoxylate	COVPDB1442	OC(=O)C(=O)C=C	1
41	(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
42	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
43	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
44	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
45	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
46	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
47	3-[(6aS,7S,10aR)-9-cyano-7-methyl-8-oxo-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazolin-10a-yl]benzoic acid	COVPDB723	C[C@H]1[C@@H]2CCc3cnc(Nc4ccccc4)nc3[C@]2(C=C(C#N)C1=O)c1cccc(c1)C(O)=O	1
48	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
49	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
50	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
51	(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
52	4-{2,3-dichloro-4-[(2E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenoxy}butanoic acid	COVPDB199	OC(=O)CCCOc1ccc(C(=O)\C=C\c2ncc[nH]2)c(Cl)c1Cl	1
53	4-{2-chloro-4-[(2E)-3-(1H-imidazol-2-yl)prop-2-enoyl]phenoxy}butanoic acid	COVPDB200	OC(=O)CCCOc1ccc(cc1Cl)C(=O)\C=C\c1ncc[nH]1	1
54	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
55	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
56	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
57	(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
58	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
59	(5aS,6S,9aR)-2-benzoyl-6-methyl-7-oxo-9a-phenyl-2H,4H,5H,5aH,6H,7H,9aH-cyclohexa[g]indazole-8-carbonitrile	COVPDB721	c1ccccc1[C@@]23[C@H]([C@H](C)C(=O)C(=C2)C#N)CCc4c3nn(c4)C(=O)c5ccccc5	1
60	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
61	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
62	(5E)-6-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}-4-oxohex-5-enoic acid	COVPDB276	Cc1ncc(COP(O)(O)=O)c(\C=C\C(=O)CCC(O)=O)c1O	1
63	5-Fluoro-2-hydroxy-2,4-pentadienoate	COVPDB336	OC(=O)C(\O)=C\C=C\F	1
64	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
65	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
66	(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
67	(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
68	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
69	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
70	(6aS,7S,10aR)-7,10a-dimethyl-8-oxo-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazoline-9-carbonitrile	COVPDB722	N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nc(nc3)Nc4ccccc4	1
71	(6aS,7S,10aR)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5H,6H,6aH,7H,8H,10aH-cyclohexa[h]quinazoline-9-carbonitrile	COVPDB720	c1ccccc1[C@@]23[C@H]([C@H](C)C(=O)C(=C2)C#N)CCc4c3nc(nc4)Nc5ccccc5	1
72	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
73	6-(cyclohexylmethoxy)-N-[4-(ethenesulfonyl)phenyl]-9H-purin-2-amine	COVPDB247	C=CS(=O)(=O)c1ccc(cc1)Nc(n2)nc(c(c23)nc[nH]3)OCC4CCCCC4	1
74	6-oxooctadecatrienoic acid	COVPDB321	CCCCC\C=C/C\C=C\C=C\C(=O)CCCCC(O)=O	2
75	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
76	7-[(1R,3R,7E,17beta)-1,3-Dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]-oct-2-en-4-one	COVPDB447	C/C=C/C(=O)CC[C@@H](C)[C@H]1CC[C@H]([C@@]12C)/C(CCC2)=C/C=C3\C[C@@H](O)C(=C)[C@H](O)C3	1
77	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
78	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
79	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
80	7-METHOXY-2-METHYLEN-3,4-DIHYDRONAPHTHALEN-1(2H)-ONE	COVPDB379	COc(cc1)cc(c12)C(=O)C(=C)CC2	1
81	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
82	Afatinib	COVPDB49	CN(C)C\C=C\C(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O[C@H]1CCOC1	1
83	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
84	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
85	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
86	APC-3316	COVPDB22	CN1CCN(CC1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](CCc1ccccc1)\C=C\S(=O)(=O)c1ccccc1	1
87	ARS-107 	COVPDB616	Oc1cc(Cl)c(Cl)cc1NCC(=O)N1CCN(CC1)C1CN(C1)C(=O)C=C	1
88	ARS-917	COVPDB416	Fc1ccccc1-c(c(Cl)c2)cc(c23)ncnc3N4CCN(CC4)C(=O)C=C	2
89	AZ-010	COVPDB1037	NC(=N)c1cc(cs1)-c1cccc(NC(=O)C=C)c1	2
90	BAY 11-7082	COVPDB594	Cc1ccc(cc1)S(=O)(=O)/C=C/C#N	1
91	Benzoquinone	COVPDB683	O=C1C=CC(=O)C=C1	2
92	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
93	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
94	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
95	Branebrutinib	COVPDB1078	CC#CC(=O)N[C@H]1CCCN(C1)c2c(F)cc(C(=O)N)c(c23)[nH]c(C)c3C	1
96	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
97	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
98	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
99	CC 292	COVPDB359	COCCOc1ccc(cc1)Nc2ncc(F)c(n2)Nc3cccc(c3)NC(=O)C=C	1
100	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
101	CNX 774	COVPDB358	CNC(=O)c1cc(ccn1)Oc2ccc(cc2)Nc3ncc(F)c(n3)Nc4cccc(c4)NC(=O)C=C	1
102	CPD	COVPDB796	c1ccccc1N[C@H]([C@]23C(C(=O)OC)=C(C(=O)OC)[C@H](O2)C=C3)Cc4ccc(C)cc4	1
103	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
104	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
105	Cyclostreptin	COVPDB988	O=C1O[C@H](CC2)[C@@H](C)C(O3)=C1[C@@H]([C@H]4[C@@]23C)[C@H]5[C@H]6[C@H](C=C(C)[C@H]5C4)[C@H](O)[C@@H](C)[C@@H]6O	1
106	Dacomitinib	COVPDB75	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1	1
107	DC-Rhoin04	COVPDB417	C=CCOC(=O)C1=CS(=O)(=O)c(c12)cccc2	1
108	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
109	delta12-prostaglandine J2	COVPDB1225	CCCCC[C@H](O)C\C=C1\[C@@H](C\C=C/CCCC(O)=O)C=CC1=O	1
110	Dimethyl fumarate	COVPDB439	COC(=O)/C=C/C(=O)OC	1
111	dUMP	COVPDB1422	O[C@H]1C[C@@H](O[C@@H]1COP(O)(O)=O)n1ccc(=O)[nH]c1=O	9
112	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
113	(E)-N-ethyl-4-oxo-4-phenylbut-2-enamide	COVPDB1191	CCNC(=O)/C=C/C(=O)c1ccccc1	1
114	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
115	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
116	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
117	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
118	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
119	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
120	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
121	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
122	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
123	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
124	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
125	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
126	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
127	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
128	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
129	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
130	Evobrutinib	COVPDB1123	C=CC(=O)N1CCC(CC1)CNc2ncnc(N)c2-c3ccc(cc3)Oc4ccccc4	1
131	F80C	COVPDB1198	COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC3CC3	1
132	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
133	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
134	FT827	COVPDB409	Cn1ncc(c12)c(=O)n(cn2)CC3(O)CCN(CC3)C(=O)c4ccc(cc4)-c5ccccc5NS(=O)(=O)C=C	1
135	H3B-594	COVPDB783	c1ccccc1/C(CC)=C(/c(c2)ccc(c23)[nH]nc3)c4ccc(cc4)OCCNC/C=C/C(=O)N(C)C	1
136	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
137	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
138	(-)-Hexahydro-zampanolide	COVPDB408	C/C=C/C=C\C(=O)N[C@@H](O)[C@@H](C/C(C)=C/[C@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@@H](O1)CC(C2)=C	1
139	HOIPIN1	COVPDB674	COc1ccccc1C(=O)\C=C\c1ccccc1C(O)=O	1
140	HOIPIN8 	COVPDB676	Cn1cc(cn1)-c1ccc(C(O)=O)c(\C=C\C(=O)c2c(F)cc(cc2F)-c2cn[nH]c2)c1	2
141	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
142	Ibrutinib	COVPDB76	C=CC(=O)N1C[C@@H](CCC1)n2nc(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5	3
143	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
144	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
145	JBI484	COVPDB426	Fc1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C	1
146	JBI739	COVPDB427	FC(F)(F)c1ccccc1-c(c2F)c(Cl)cc(c23)c(ncn3)N4CCN(CC4)C(=O)C=C	1
147	JLJ684	COVPDB442	N#Cc(c1)ccc(c12)c(N(C)C(=O)C=C)cc(c2C)Oc3c(cccc3)OCCn4ccc(=O)[nH]c4=O	1
148	juglone	COVPDB1001	Oc1cccc(c12)C(=O)C=CC2=O	4
149	K11002	COVPDB1446	C1COCCN1C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)c4ccccc4	2
150	K11017	COVPDB601	C1COCCN1C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCc2ccccc2)/C=C/S(=O)(=O)c3ccccc3	2
151	K11777	COVPDB672	c1ccccc1CC(=O)N[C@@H](CCc2ccccc2)/C=C/S(=O)(=O)c3ccccc3	2
152	KPT185	COVPDB1013	COc1cc(cc(c1)C(F)(F)F)-c2ncn(n2)/C=C/C(=O)OC(C)C	1
153	KPT8602	COVPDB319	c1ncncc1/C(C(=O)N)=C/n2cnc(n2)-c3cc(C(F)(F)F)cc(c3)C(F)(F)F	1
154	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
155	LN2057	COVPDB1262	COc1ccc(NC(=O)C=C)cc1Nc2cc(ccn2)-c3[nH]c(SC)nc3-c4ccc(F)cc4	1
156	LN2380	COVPDB1263	COc1ccc(NC(=O)C=C)cc1Nc2cc(ccn2)-c3nc(CCCO)[nH]c3-c4ccc(F)cc4	1
157	LN2899	COVPDB1261	COCCSc1nc(-c2ccc(F)cc2)c([nH]1)-c3ccnc(c3)Nc4cc(NC(=O)C=C)ccc4OC	1
158	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
159	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
160	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
161	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
162	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
163	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
164	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
165	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
166	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
167	methyl 4-(prop-2-enoyl)-1,2,3,4-tetrahydroquinoxaline-1-carboxylate	COVPDB460	c1cccc(c12)N(C(=O)C=C)CCN2C(=O)OC	1
168	MRTX849	COVPDB1258	CN1CCC[C@H]1COc1nc2CN(CCc2c(n1)N1CCN([C@@H](CC#N)C1)C(=O)C=C)c1cccc2ccccc12	1
169	MS4138	COVPDB734	COc1cc2c(NCCCNC(=O)C=C)nc(nc2cc1OCCN)N1CCCC1	1
170	MS453	COVPDB351	COc1cc2nc(nc(NCCCNC(=O)C=C)c2cc1OC)N1CCCC1	1
171	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
172	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
173	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
174	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
175	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
176	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
177	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
178	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
179	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
180	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
181	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
182	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
183	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
184	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
185	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
186	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
187	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
188	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
189	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
190	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
191	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
192	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
193	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
194	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
195	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
196	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
197	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
198	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
199	~{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
200	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
201	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
202	~{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
203	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
204	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
205	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
206	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
207	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
208	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
209	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
210	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
211	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
212	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
213	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
214	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
215	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
216	N-{4-[(1E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}ethene-1-sulfonamide	COVPDB71	Oc1c(C)cc(cc1C)/C=C/c2ccc(cc2)NS(=O)(=O)C=C	1
217	N-{4-[(1E)-2-(4-hydroxy-3,5-dimethylphenyl)ethenyl]phenyl}prop-2-enamide	COVPDB70	Oc1c(C)cc(cc1C)/C=C/c2ccc(cc2)NC(=O)C=C	1
218	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
219	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
220	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
221	N-(4-ethoxyquinazolin-2-yl)prop-2-enamide	COVPDB380	c1cccc(c12)nc(NC(=O)C=C)nc2OCC	3
222	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
223	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
224	N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE	COVPDB1276	C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3ccccc3	1
225	N-[4-(pyrimidin-2-yl)phenyl]prop-2-enamide	COVPDB461	C=CC(=O)Nc1ccc(cc1)-c2ncccn2	1
226	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
227	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
228	N-(5-hydroxynaphthalen-2-yl)prop-2-enamide	COVPDB347	Oc1cccc(c12)cc(cc2)NC(=O)C=C	1
229	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
230	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
231	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
232	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
233	neratinib	COVPDB910	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	1
234	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
235	NG-P27	COVPDB373	OC(=O)\C=C1\CCCC1=O	1
236	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
237	Osimertinib	COVPDB1493	COc1cc(N(C)CCN(C)C)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cn(C)c2ccccc12	1
238	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
239	parthenolide	COVPDB1084	C1C/C=C(/C)CC[C@@H](C(C(O2)=O)=C)[C@H]2[C@H](O3)[C@]13C	1
240	PD168393	COVPDB705	C=CC(=O)Nc(c1)ccc(c12)ncnc2Nc3cccc(Br)c3	3
241	PF-06651600	COVPDB361	C=CC(=O)N1C[C@@H](CC[C@@H]1C)Nc2ncnc(c23)[nH]cc3	1
242	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
243	(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
244	phenyl vinylsulfonate	COVPDB1240	C=CS(=O)(=O)Oc1ccccc1	1
245	Phenyl Vinyl Sulfonyl	COVPDB1243	C=CS(=O)(=O)c1ccccc1	1
246	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
247	PMX464	COVPDB1244	c1cccc(c12)sc(n2)C3(O)C=CC(=O)C=C3	1
248	PROSTAGLANDIN A1	COVPDB1287	CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1CCCCCCC(O)=O	1
249	(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
250	(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
251	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
252	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
253	[Rh(Cp-Mal)(COD)] (NB4-Rh)	COVPDB1285	[Rh]12345678C9C1CCC2C3CC9.C1=CC(N(C1=O)CCC41C5C6C7C81)=O	1
254	RL3	COVPDB1323	CN(C)C\C=C\C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1	2
255	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
256	(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
257	(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
258	S49365a	COVPDB537	C(C=C)(=O)N1CCN(CC1)CCC=1C=NN(C1)C1=NC=CC2=C1N=CNC2=O	1
259	(S)-4-amino-4,5-dihydro-2-furancarboxylic acid	COVPDB1226	N[C@@H]1COC(=C1)C(O)=O	2
260	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
261	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
262	SC1475	COVPDB1278	COC1=C(OC)C(=O)C(=CC1=O)[C@@H](C=C)c2ccccc2	1
263	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
264	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
265	TAS-120	COVPDB1403	COc1cc(cc(c1)OC)C#Cc(c(c23)c(N)ncn3)nn2[C@H]4CCN(C4)C(=O)C=C	1
266	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
267	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
268	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
269	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
270	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
271	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
272	Tirabrutinib	COVPDB360	CC#CC(=O)N1CC[C@H](C1)n2c(=O)n(c(c23)c(N)ncn3)-c4ccc(cc4)Oc5ccccc5	1
273	TK22	COVPDB1201	COC(=O)c(c1)ccc(c12)N(C(=O)C=C)CCN2CC	1
274	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
275	TL10-92	COVPDB1373	CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(Nc3ccccc3OC(=O)C=C)n2)cc1	1
276	TL11-128	COVPDB318	Cn1cc(cn1)Nc2ncc(Cl)c(n2)Oc3ccccc3NC(=O)C=C	1
277	TX64063	COVPDB250	N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nn(C)c3-c4cccnc4	1
278	WRR-204	COVPDB1450	c1ccccc1COC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc3ccccc3)/C=C/S(=O)(=O)Oc4ccccc4	1
279	WRR286	COVPDB1449	CN1CCN(CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCc1ccccc1)\C=C\S(=O)(=O)NOCc1ccccc1	2
280	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
281	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
282	Z4439011520	COVPDB1418	COc1ccc(c(C)c1)NC(=O)[C@H](N(C(=O)C=C)c2cc(on2)C(C)(C)C)c3cccnc3	1
283	Z4439011584	COVPDB1420	CCc1cccc(C)c1NC(=O)[C@H](N(C(=O)C=C)c2cc([nH]n2)C(C)(C)C)c3cccnc3	2
284	Z4439011588	COVPDB1419	CCc1cccc(C)c1NC(=O)[C@@H](c2cccnc2)N(C(=O)C=C)c3ccc(nc3)C(C)C	1
285	Z4439011607	COVPDB1417	c1ccncc1[C@H](C(=O)NC(C)(C)C)N(C(=O)C=C)c2cc(on2)C(C)(C)C	1
286	(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
287	(~{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
288	(-)-ZAMPANOLIDE	COVPDB1505	C/C=C/C=C\C(=O)N[C@@H](O)[C@H](C/C(C)=C/[C@@H]12)OC(=O)/C=C/C=C(/C)CC(=O)/C=C/C[C@H](O1)CC(C2)=C	2
289	Zanubrutinib	COVPDB542	C=CC(=O)N1CCC(CC1)[C@@H]2CCNc(n23)c(C(=O)N)c(n3)-c4ccc(cc4)Oc5ccccc5	1