smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(C)cc2c1C(=O)c1c([O-])cccc1C2=O	ZINC000004098692	562941736	/nfs/dbraw/zinc/94/17/36/562941736.db2.gz	JMDQOFZFOJHOMU-UJPYTVAASA-N	-1	3	446.408	-0.337	10	10	in-vitro	IBCEHM
COc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2c(c1)C(=O)c1cc(C)cc([O-])c1C2=O	ZINC000004098695	291306199	/nfs/dbraw/zinc/30/61/99/291306199.db2.gz	POMKXWCJRHNLRP-DQMLXFRHSA-N	-1	3	446.408	-0.337	10	10	endogenous,in-man	IBCEHM