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	562941735	/nfs/dbraw/zinc/94/17/35/562941735.db2.gz	JMDQOFZFOJHOMU-UJPYTVAASA-N	0	0	446.408	-0.337	10	10	in-vitro	IBCERN
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	291306192	/nfs/dbraw/zinc/30/61/92/291306192.db2.gz	POMKXWCJRHNLRP-DQMLXFRHSA-N	0	0	446.408	-0.337	10	10	endogenous,in-man	IBCERN
O=C(/C=C/c1ccc(O)c(O)c1)OC[C@H]1O[C@@H](Oc2coccc2=O)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000033830039	291308132	/nfs/dbraw/zinc/30/81/32/291308132.db2.gz	CLFSHBHNICRSDA-ROGMSIAGSA-N	0	0	436.369	-0.506	10	10	biogenic,in-vitro	IBCERN