smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C=C(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000077271655	553656654	/nfs/dbraw/zinc/65/66/54/553656654.db2.gz	GNZRKCZTDXRJOT-LQNHAXQCSA-N	0	3	525.510	1.111	10	30	in-vitro	KDEEHN
COc1cccc2c1C(=O)c1c(O)c3c(c([O-])c1C2=O)C=C(C(=O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000077271655	553656649	/nfs/dbraw/zinc/65/66/49/553656649.db2.gz	GNZRKCZTDXRJOT-LQNHAXQCSA-N	0	3	525.510	1.111	10	30	in-vitro	KDEEHN