TTD_Target_ID	Target_Name	TTD_Drug_ID	Drug_Name	Drug_Highest_Status	Drug_PubchemID	Molecular_Formula	Molecular_Weight	Canonical_SMILES	Activity	Binder_Type
T12005	Coronavirus Main proteinase	B3IYC1	2-[4-[3-(2,4-Dichlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-N-[4-(trifluoromethyl)phenyl]acetamide	Investigative	2745640	C22H13Cl2F3N4O2S	525.3	C1=CC(=CC=C1C(F)(F)F)NC(=O)CSC2=NC=CC(=N2)C3=CC(=NO3)C4=C(C=C(C=C4)Cl)Cl	IC50 = 66100000000000 nM	Non binder
T12005	Coronavirus Main proteinase	B4Q9GD	2-{[5-Cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-nitrophenyl)acetamide	Investigative	135427623	C20H15N5O5S	437.4	COC1=CC=CC(=C1)C2=C(C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C#N	IC50 = 300000 nM	Non binder
T12005	Coronavirus Main proteinase	B5BZ9P	2-[(4-Hydroxy-5,6-dimethylpyrimidin-2-yl)sulfanyl]-N-(4-nitrophenyl)acetamide	Investigative	135411091	C14H14N4O4S	334.35	CC1=C(N=C(NC1=O)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C	IC50 > 1000000 nM	Non binder
T12005	Coronavirus Main proteinase	B5C1SP	N-(4-Chloro-2-fluorophenyl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide	Investigative	1342108	C14H10ClF4N3OS	379.8	CC1=CC(=NC(=N1)SCC(=O)NC2=C(C=C(C=C2)Cl)F)C(F)(F)F	IC50 = 500000 nM	Non binder
T12005	Coronavirus Main proteinase	B69SVT	N-(4-Chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methylthiazol-2-yl)-3-thienyl]pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2820912	C22H19ClN4OS4	519.1	CC1=CSC(=N1)C2=C(C(=C(S2)SC)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)Cl)C	IC50 = 89100000000000 nM	Non binder
T12005	Coronavirus Main proteinase	B8OG2A	N-(4-Chlorophenyl)-2-[4-(3-phenylisoxazol-5-yl)pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2745617	C21H15ClN4O2S	422.9	C1=CC=C(C=C1)C2=NOC(=C2)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)Cl	IC50 = 66100000000000 nM	Non binder
T12005	Coronavirus Main proteinase	B8OYH3	N-(4-Chlorophenyl)-2-[4-[2-(2-methylthiazol-4-yl)thiazol-4-yl]pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2744846	C19H14ClN5OS3	460	CC1=NC(=CS1)C2=NC(=CS2)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)Cl	IC50 = 70800000000000 nM	Non binder
T12005	Coronavirus Main proteinase	B94MCV	N-(3,4-Dimethoxyphenyl)-2-[(4-hydroxy-6-phenylpyrimidin-2-yl)sulfanyl]acetamide	Investigative	135410958	C20H19N3O4S	397.4	COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CC(=O)N2)C3=CC=CC=C3)OC	IC50 = 21900000000000 nM	Non binder
T12005	Coronavirus Main proteinase	B9AKE2	N-(4-Chlorophenyl)-2-[4-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2-thienyl]pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2821293	C21H15ClF3N5OS2	510	CN1C(=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)Cl)C(F)(F)F	IC50 = 100000000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BB4VR1	3-(4,6-Dimethylpyrimidin-2-yl)sulfanyl-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione	Investigative	2918713	C18H19N3O3S	357.4	CCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=NC(=CC(=N3)C)C	IC50 = 300000 nM	Non binder
T12005	Coronavirus Main proteinase	BBP18D	Ethyl 4-amino-2-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate	Investigative	2810524	C15H15N5O5S	377.4	CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]	IC50 = 250000 nM	Non binder
T12005	Coronavirus Main proteinase	BC1H5F	N-(4-Chlorophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide	Investigative	135442547	C15H16ClN3O2S	337.8	CCCC1=CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)Cl	IC50 = 33100000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BFNI72	2-{[5-Cyano-4-(3-methoxyphenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamide	Investigative	135411083	C20H17N5O5S2	471.5	COC1=CC=CC(=C1)C2=C(C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C#N	IC50 = 24500000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BH7PT3	N-(4-Tert-butylphenyl)-2-[(5-cyano-4-cyclohexyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide	Investigative	135411090	C23H28N4O2S	424.6	CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(C(=O)N2)C#N)C3CCCCC3	IC50 = 350000 nM	Non binder
T12005	Coronavirus Main proteinase	BHLJ20	N-(3,5-Dichlorophenyl)-2-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]sulfanylacetamide	Investigative	2744814	C21H14Cl2N4OS2	473.4	C1=CC=C(C=C1)C2=NC(=CS2)C3=NC(=NC=C3)SCC(=O)NC4=CC(=CC(=C4)Cl)Cl	IC50 = 331000000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BL2HU8	2-{[4-(4-Methoxyphenyl)pyrimidin-2-yl]sulfanyl}-N-[4-(propan-2-yl)phenyl]acetamide	Investigative	2823615	C22H23N3O2S	393.5	CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC=C(C=C3)OC	IC50 = 400000 nM	Non binder
T12005	Coronavirus Main proteinase	BNB7I2	N-[4-(Propan-2-yl)phenyl]-2-{[4-(thiophen-2-yl)pyrimidin-2-yl]sulfanyl}acetamide	Investigative	2811874	C19H19N3OS2	369.5	CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)C3=CC=CS3	IC50 = 24500000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BP2VO6	N-(4-Chlorophenyl)-2-[(5-cyano-6-oxo-4-phenyl-1,6-dihydropyrimidin-2-yl)sulfanyl]propanamide	Investigative	135411089	C20H15ClN4O2S	410.9	CC(C(=O)NC1=CC=C(C=C1)Cl)SC2=NC(=C(C(=O)N2)C#N)C3=CC=CC=C3	IC50 = 300000 nM	Non binder
T12005	Coronavirus Main proteinase	BRL6J9	N-(2-Chlorophenyl)-2-[4-[4-methyl-2-methylsulfanyl-5-(4-methylthiazol-2-yl)-3-thienyl]pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2820914	C22H19ClN4OS4	519.1	CC1=CSC(=N1)C2=C(C(=C(S2)SC)C3=NC(=NC=C3)SCC(=O)NC4=CC=CC=C4Cl)C	IC50 = 83200000000000 nM	Non binder
T12005	Coronavirus Main proteinase	BTED25	N-(4-Chlorophenyl)-2-[4-[3-(2-chlorophenyl)isoxazol-5-yl]pyrimidin-2-yl]sulfanyl-acetamide	Investigative	2745653	C21H14Cl2N4O2S	457.3	C1=CC=C(C(=C1)C2=NOC(=C2)C3=NC(=NC=C3)SCC(=O)NC4=CC=C(C=C4)Cl)Cl	IC50 = 66100000000000 nM	Non binder