smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933972	552489788	/nfs/dbraw/zinc/48/97/88/552489788.db2.gz	HWMJTJZEJBSVCG-XQXWFSOWSA-N	-2	3	574.535	0.383	40	10	in-man	KCCBHL
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933973	552489819	/nfs/dbraw/zinc/48/98/19/552489819.db2.gz	HWMJTJZEJBSVCG-HOOHVNOESA-N	-2	3	574.535	0.383	40	10	in-man	KCCBHL
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933974	552489814	/nfs/dbraw/zinc/48/98/14/552489814.db2.gz	HWMJTJZEJBSVCG-LSFJDVPESA-N	-2	3	574.535	0.383	40	10	in-man	KCCBHL
COc1cc([O-])c2c(c1)C(=O)c1cc3c(c([O-])c1C2=O)[C@@H](O[C@@H]1O[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1OC)[C@@H](OC)[C@](C)(O)C3=O	ZINC000004933975	552489766	/nfs/dbraw/zinc/48/97/66/552489766.db2.gz	HWMJTJZEJBSVCG-AMYGVTSUSA-N	-2	3	574.535	0.383	40	10	in-man	KCCBHL
COc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCOc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1OC	ZINC000100165323	554236497	/nfs/dbraw/zinc/23/64/97/554236497.db2.gz	MAXXEAGSLTYQGI-UHFFFAOYSA-N	-2	3	568.589	0.948	40	10		KCCBHL