smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c(c(OC)c1OC)C(=O)c1c(cc(C)c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)C2=O	ZINC000004098656	561693924	/nfs/dbraw/zinc/69/39/24/561693924.db2.gz	QBFJCZWBSLFTEE-UWBHIVAPSA-N	0	0	520.487	-0.016	10	10	biogenic,in-vitro	KBCERN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@H](O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000077292098	571360963	/nfs/dbraw/zinc/36/09/63/571360963.db2.gz	NKZRZOVSJNSBFR-VVOUGKEESA-N	0	0	545.541	-0.207	10	10	in-vitro	KBCERN
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)([C@@H](O)CO)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000077292102	571360965	/nfs/dbraw/zinc/36/09/65/571360965.db2.gz	NKZRZOVSJNSBFR-SQQBCDDESA-N	0	0	545.541	-0.207	10	10	in-vitro	KBCERN