smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1c(C)c2c([O-])c3c(cc2cc1O)C(=O)c1cc([O-])cc(O)c1C3=O	ZINC000004654706	560199045	/nfs/dbraw/zinc/19/90/45/560199045.db2.gz	RQYUIUSZANHVJK-UHFFFAOYSA-N	-2	3	394.335	2.533	10	10	in-vitro	GFCEHL
COc1cc([O-])c2c(c1)C(=O)c1cc3cc(O)c(C(=O)[O-])c(C)c3c([O-])c1C2=O	ZINC000004654697	560198953	/nfs/dbraw/zinc/19/89/53/560198953.db2.gz	NSKLWYCTXNPUBB-UHFFFAOYSA-N	-3	3	394.335	2.747	10	10	in-vitro	GFCEHL
COc1cc(O)c2c(c1)C(=O)c1cc3cc(O)c(C(=O)[O-])c(C)c3c([O-])c1C2=O	ZINC000004654697	560198954	/nfs/dbraw/zinc/19/89/54/560198954.db2.gz	NSKLWYCTXNPUBB-UHFFFAOYSA-N	-2	3	394.335	2.747	10	10	in-vitro	GFCEHL
COc1ccc(Oc2coc3c(ccc([O-])c3CN(C)CC(=O)[O-])c2=O)cc1	ZINC000094993344	211217418	/nfs/dbraw/zinc/21/74/18/211217418.db2.gz	DUYJVHCHUZJSCJ-UHFFFAOYSA-N	-2	3	385.372	2.816	10	10		GFCEHL