smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000012446752	574412990	/nfs/dbraw/zinc/41/29/90/574412990.db2.gz	QKPDYSSHOSPOKH-FGAAHKGBSA-N	-1	3	416.382	-0.345	1	10	endogenous,in-man	HBCFHM
Cc1cc(O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000012446753	574412983	/nfs/dbraw/zinc/41/29/83/574412983.db2.gz	QKPDYSSHOSPOKH-CYCQADSDSA-N	-1	3	416.382	-0.345	1	10	endogenous,in-man	HBCFHM
Cc1cc(O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)c2c(c1)C(=O)c1cccc([O-])c1C2=O	ZINC000015063146	574413751	/nfs/dbraw/zinc/41/37/51/574413751.db2.gz	QKPDYSSHOSPOKH-MRCDGREHSA-N	-1	3	416.382	-0.345	1	10	endogenous,in-man	HBCFHM
Cc1cc2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1[O-])C(=O)c1ccccc1C2=O	ZINC000033830166	291168324	/nfs/dbraw/zinc/16/83/24/291168324.db2.gz	WGPHZEVLQPMCID-VIVOITHDSA-N	-1	3	416.382	-0.345	1	10	biogenic,in-vitro	HBCFHM
O=C1c2ccccc2C(=O)c2c([O-])c(O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc21	ZINC000059586149	291170082	/nfs/dbraw/zinc/17/00/82/291170082.db2.gz	LPUCQUKLBVSNAF-VVEMMYRFSA-N	-1	3	402.355	-0.654	1	10	biogenic,in-vitro	HBCFHM
O=C1c2ccccc2C(=O)c2c([O-])cc(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc21	ZINC000095919429	291170084	/nfs/dbraw/zinc/17/00/84/291170084.db2.gz	MVYMTRGKWWWUAR-VUCAUUSGSA-N	-1	3	402.355	-0.654	1	10	biogenic,in-vitro	HBCFHM