smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2cccc([O-])c2C(=O)c2c([O-])cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc21	ZINC000031430412	565107957	/nfs/dbraw/zinc/10/79/57/565107957.db2.gz	ASQHVCDULHERIH-JNHRPPPUSA-N	-2	3	432.381	-0.810	1	10	biogenic,in-vitro	IBCFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000033830908	565108538	/nfs/dbraw/zinc/10/85/38/565108538.db2.gz	UBVJENDWBOVRBS-JNHRPPPUSA-N	-2	3	432.381	-0.640	1	10	biogenic,in-vitro	IBCFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc([O-])c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc1C2=O	ZINC000059586158	565115545	/nfs/dbraw/zinc/11/55/45/565115545.db2.gz	DQELNFBVUJJFQU-LNCSSOGTSA-N	-2	3	432.381	-0.640	1	10	biogenic,in-vitro	IBCFHL
O=C([O-])c1cc([O-])c2c(c1)C(=O)c1cccc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)c1C2=O	ZINC000085532012	291308530	/nfs/dbraw/zinc/30/85/30/291308530.db2.gz	WYKUTTFFZMQCGO-RXVDJBPWSA-N	-2	3	446.364	-0.956	1	10	biogenic,in-vitro	IBCFHL
Cc1cc([O-])c2c(c1)C(=O)c1cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc([O-])c1C2=O	ZINC000095911179	560058283	/nfs/dbraw/zinc/05/82/83/560058283.db2.gz	UBVJENDWBOVRBS-GMIXLPSWSA-N	-2	3	432.381	-0.640	1	10	biogenic,in-vitro	IBCFHL