Index	Ligand Name	Ligand ID	Canonical SMILES	#Protein-Ligand Complex(es)
1	(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
2	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
3	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
4	(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
5	(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
6	(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
7	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
8	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
9	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
10	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
11	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
12	TX64063	COVPDB250	N#CC(=C1)C(=O)[C@@H](C)[C@@H]([C@]12C)CCc3c2nn(C)c3-c4cccnc4	1