Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	1-[2-(S)-AMINO-3-BIPHENYL-4-YL-PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE	COVPDB992	N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc2ccc(cc2)-c3ccccc3	1
2	1-[(3S,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]-1-(4-phenylbutanoyl)pyrrolidin-3-yl]triaza-1,2-dien-2-ium	COVPDB228	[N-]=[N+]=N[C@H]1C[C@H](N(C1)C(=O)CCCc1ccccc1)C(=O)N1CCC[C@H]1C#N	1
3	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
4	(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
5	(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
6	(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
7	(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
8	2-[4-({2-[(2S,5R)-2-cyano-5-ethynylpyrrolidin-1-yl]-2-oxoethyl}amino)-4-methylpiperidin-1-yl]pyridine-4-carboxylic acid	COVPDB515	CC1(CCN(CC1)c1cc(ccn1)C(O)=O)NCC(=O)N1[C@H](CC[C@H]1C#N)C#C	1
9	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
10	2-amino-4-chloro-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}benzamide	COVPDB209	Nc1cc(Cl)ccc1C(=O)NC2(C(=O)NCC#N)CCCCC2	1
11	(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
12	(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
13	(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
14	(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
15	(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
16	(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
17	(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
18	(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
19	(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
20	(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
21	(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
22	(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
23	(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
24	(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
25	(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
26	(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
27	(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
28	(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
29	(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
30	(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
31	(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
32	(2S,5R)-1-[2-[[1-(hydroxymethyl)cyclopentyl]amino]ethanoyl]pyrrolidine-2,5-dicarbonitrile	COVPDB414	OCC1(CCCC1)NCC(=O)N1[C@@H](CC[C@@H]1C#N)C#N	1
33	(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
34	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
35	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
36	(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
37	(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
38	(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
39	(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
40	3-tert-butyl-4-{[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy}benzoic acid	COVPDB482	CC(C)(C)c1cc(ccc1OC[C@H]1CC[C@H](N1)C(=O)N1CCC[C@H]1C#N)C(O)=O	1
41	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
42	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
43	4-(6-Ethynyl-9H-purin-2-ylamino)benzenesulfonamide	COVPDB1059	NS(=O)(=O)c1ccc(cc1)Nc(nc(c23)[nH]cn3)nc2C#C	1
44	4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide	COVPDB208	Nc1ccc(cc1F)C(=O)NC2(C(=O)NCC#N)CCCCC2	1
45	4-chloro-3-{[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methoxy}benzoic acid	COVPDB480	OC(=O)c1ccc(Cl)c(OC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)c1	1
46	4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile	COVPDB1193	N#Cc1nc(NC2CCCCC2)nc(n1)N1CCNCC1	1
47	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
48	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
49	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
50	6-[(3,5-difluorophenyl)amino]-9-ethyl-purine-2-carbonitrile	COVPDB1259	CCn1cnc(c12)c(nc(n2)C#N)Nc3cc(F)cc(F)c3	1
51	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
52	6-cyano-UMP	COVPDB307	O[C@@H]1[C@@H](COP(O)(O)=O)O[C@H]([C@@H]1O)n1c(cc(=O)[nH]c1=O)C#N	3
53	7-cyano-7-deazaguanine	COVPDB850	O=c1[nH]c(N)nc(c12)[nH]cc2C#N	3
54	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
55	AZ12878478	COVPDB1150	Cc1cccc(c1)C[C@@H](C(=O)NCC#N)NC(=O)c2cc(C(C)(C)C)nn2C	1
56	AZ13010160	COVPDB549	Cn1nc(cc1C(=O)N[C@@H](Cc1cccc(c1)-c1nnc(CN)o1)C(=O)NCC#N)C(C)(C)C	1
57	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
58	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
59	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
60	Cov_HetLib030	COVPDB1428	N#Cc1ncccn1	1
61	Cov_HetLib053	COVPDB1427	N#Cc1ncc[nH]1	1
62	CP12	COVPDB896	N#CN[C@H]1CCc(c12)ccc(c2)-c(ncn3)c(c34)cc[nH]4	1
63	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
64	CRA-27566	COVPDB652	C1COCCN1C(=O)N[C@@H](C[Si](C)(C)C)C(=O)NC2(C#N)CCS(=O)(=O)CC2	1
65	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
66	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
67	DL-propargylglycine	COVPDB125	N[C@H](CC#C)C(O)=O	1
68	(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
69	GNE0775	COVPDB670	C[C@@H]1NC(=O)[C@@H](N(C)C(=O)[C@H](CCN)NC(=O)c2cnc(nc2C)-c2ccc(cc2)C(C)(C)C)c2ccc(OCCN)c(c2)-c2cc(C[C@H](NC1=O)C(=O)NCC#N)ccc2OCCN	1
70	IC-3	COVPDB150	c1ccccc1CCCC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C#N	1
71	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
72	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
73	methyl 4-[({[(2R,5S)-5-[(2S)-2-cyanopyrrolidine-1-carbonyl]pyrrolidin-2-yl]methyl}carbamoyl)amino]benzoate	COVPDB476	COC(=O)c1ccc(NC(=O)NC[C@H]2CC[C@H](N2)C(=O)N2CCC[C@H]2C#N)cc1	1
74	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
75	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
76	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
77	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
78	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
79	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
80	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
81	N-benzyl-2-cyanopyrimidine-5-carboxamide	COVPDB159	N#Cc1ncc(cn1)C(=O)NCc2ccccc2	2
82	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
83	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
84	N-Cyanomethyl-Nalpha-(diphenylacetyl)-3-methylphenylalaninamide 	COVPDB484	c1ccccc1C(c2ccccc2)C(=O)N[C@H](C(=O)NCC#N)Cc3cc(C)ccc3	1
85	NVP-ABE854	COVPDB945	CN1CCN(CCn2cnc3c(NC4CCCCC4)nc(nc23)C#N)CC1	1
86	NVP-ABI491	COVPDB946	c1cncn1CCCOc2ccccc2Nc(nc(n3)C#N)c(c34)ncn4C5CCCC5	1
87	NVP-ABJ688	COVPDB947	CN1CCN(CCCOc2ccccc2Nc2nc(nc3n(cnc23)C2CCCC2)C#N)CC1	1
88	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
89	p-nitrophenyl iodoisocyanide	COVPDB1256	IC#[N+]c1ccc([N+]([O-])=O)cc1	1
90	Saxagliptin	COVPDB568	N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)C12CC3CC(CC(O)(C3)C1)C2	1
91	saxagliptin M2	COVPDB617	N[C@H](C(=O)N1[C@H]2C[C@H]2C[C@H]1C#N)[C@]12C[C@H]3C[C@](O)(C[C@](O)(C3)C1)C2	1
92	(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
93	tert-Butyl ((1-((3S,5S)-5-((S)-2-Cyanopyrrolidine-1-carbonyl)-1-(4-phenylbutanoyl)pyrrolidin-3-yl)-1H-1,2,3-triazol-4-yl)methyl)carbamate	COVPDB990	CC(C)(C)OC(=O)NCc1cn(nn1)[C@H]2C[C@@H](C(=O)N3CCC[C@H]3C#N)N(C2)C(=O)CCCc4ccccc4	1
94	vildagliptin	COVPDB1061	OC12CC3CC(C1)CC(C3)(C2)NCC(=O)N1CCC[C@H]1C#N	2