smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349038	291316743	/nfs/dbraw/zinc/31/67/43/291316743.db2.gz	IKIIZLYTISPENI-TWHPPBISSA-N	-2	1	446.364	0.142	40	10	biogenic,in-vitro	ICCBML
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@H](O)[C@H](O)[C@@H]1O	ZINC000004349042	556408369	/nfs/dbraw/zinc/40/83/69/556408369.db2.gz	IKIIZLYTISPENI-KYHREEPGSA-N	-2	1	446.364	0.142	40	10		ICCBML
O=C([O-])[C@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000013424717	569316091	/nfs/dbraw/zinc/31/60/91/569316091.db2.gz	IKIIZLYTISPENI-QFCZJPRCSA-N	-2	1	446.364	0.142	40	10		ICCBML
O=C([O-])[C@@H]1O[C@@H](Oc2cc3oc(-c4ccccc4)cc(=O)c3c([O-])c2O)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000521840097	569292558	/nfs/dbraw/zinc/29/25/58/569292558.db2.gz	IKIIZLYTISPENI-WVXKDWSHSA-N	-2	1	446.364	0.142	40	10		ICCBML