smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(c1)C(=O)c1cc3cc(O)cc(C)c3c([O-])c1C2=O	ZINC000004654708	560199069	/nfs/dbraw/zinc/19/90/69/560199069.db2.gz	CXOLVKMMHKZPPM-UHFFFAOYSA-N	-2	3	350.326	3.049	10	10	in-vitro	FGCEHL
Cc1nc(C=Cc2ccc(N3CCCCC3)cc2)[n-]c(=O)c1CCC(=O)[O-]	ZINC000195503685	496943423	/nfs/dbraw/zinc/94/34/23/496943423.db2.gz	OLOLINFVDHIFSJ-YRNVUSSQSA-N	-2	3	367.449	3.256	10	10		FGCEHL
COc1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1C(=O)[O-]	ZINC000226856804	497086890	/nfs/dbraw/zinc/08/68/90/497086890.db2.gz	MBGDCIXRSAPMNQ-UHFFFAOYSA-N	-2	3	373.386	3.053	10	10		FGCEHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1C(=O)[O-]	ZINC000226856804	497086896	/nfs/dbraw/zinc/08/68/96/497086896.db2.gz	MBGDCIXRSAPMNQ-UHFFFAOYSA-N	-3	3	373.386	3.053	10	10		FGCEHL
CC(C)=CCc1cc(-c2oc3cc([O-])cc([O-])c3c(=O)c2O)cc(O)c1O	ZINC000013860547	220098344	/nfs/dbraw/zinc/09/83/44/220098344.db2.gz	WOMWVGHYSNATOB-UHFFFAOYSA-N	-2	3	370.357	3.497	10	10	endogenous,in-man	FGCEHL
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c2ccccc12	ZINC000226857456	206124059	/nfs/dbraw/zinc/12/40/59/206124059.db2.gz	BWRKMNVZRYRJIV-UHFFFAOYSA-N	-3	3	357.387	3.353	10	10		FGCEHL
Cc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1C(=O)[O-]	ZINC000226858439	209367719	/nfs/dbraw/zinc/36/77/19/209367719.db2.gz	MKBQGBJAPXETNJ-UHFFFAOYSA-N	-3	3	357.387	3.353	10	10		FGCEHL
Cc1ccc(C(=O)[O-])c(NC2=NC(=O)C(=Cc3ccc([O-])cc3)S2)c1	ZINC000016933904	211171876	/nfs/dbraw/zinc/17/18/76/211171876.db2.gz	KIBINNSQJAFKIV-DHDCSXOGSA-N	-2	3	354.387	3.481	10	10		FGCEHL
Cc1cc(C)cc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)c1	ZINC000059426637	136132165	/nfs/dbraw/zinc/13/21/65/136132165.db2.gz	JUSCTUAHQOXRBP-DHDCSXOGSA-N	-2	3	370.792	3.329	10	10		FGCEHL
CCN(CC)c1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1	ZINC000195503772	496943065	/nfs/dbraw/zinc/94/30/65/496943065.db2.gz	YWHBWMKCFIASRS-XYOKQWHBSA-N	-2	3	355.438	3.112	10	10		FGCEHL