smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)F)cc2)[C@@H](O)[C@H]1O	48222133	AQZGKOBMIMVGMG-XNIJJKJLSA-N	453.408	-0.457	70	50	JBIA	in-vitro
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C	218367416	JWNFSMZCMJGVOP-STQMWFEESA-N	453.521	-0.011	70	50	JBIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(C)nn([C@H]2CCS(=O)(=O)C2)c1C	218367353	JWNFSMZCMJGVOP-QWHCGFSZSA-N	453.521	-0.011	70	50	JBIA	
Cc1nc(S(=O)(=O)N2CCC(C(=O)NC3CCN(S(=O)(=O)F)CC3)CC2)cn1C	2325890163	CYHJFMDRCDWZJP-UHFFFAOYSA-N	451.546	-0.076	70	50	JBIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@H](CC(N)=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C	218367202	JWNFSMZCMJGVOP-CHWSQXEVSA-N	453.521	-0.011	70	50	JBIA	
B1BBC2(c3ccc(Oc4ccccc4)cc3)BBBBBC2(c2ccc(Oc3ccccc3)cc2)BB1	195800123	SUIZPBPWXFAJHW-UHFFFAOYSA-N	480.628	-0.011	70	50	JBIA	
CCOC(=O)Cc1[nH][nH]c(=O)c1[C@@H](CC(N)=O)c1c(C)nn([C@@H]2CCS(=O)(=O)C2)c1C	218367271	JWNFSMZCMJGVOP-OLZOCXBDSA-N	453.521	-0.011	70	50	JBIA	
CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@@H](OS(=O)(=O)C(F)(F)F)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	59230585	OIBDVHSTOUGZTJ-PEBLQZBPSA-N	480.366	-0.064	70	50	JBIA	in-vitro