smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(C[C@@H](C[N@@H+](CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])cc1	ZINC000026495045	563028650	/nfs/dbraw/zinc/02/86/50/563028650.db2.gz	FEZWPBDUNJUSES-INIZCTEOSA-N	-4	1	498.489	-1.491	10	10		JACEML
O=C([O-])[C@@H]1O[C@H](OC(=O)c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)[C@@H](O)[C@H](O)[C@H]1O	ZINC000077312901	569706005	/nfs/dbraw/zinc/70/60/05/569706005.db2.gz	IKYQBZPCZQHNKI-ZIKOTGLESA-N	-2	1	460.347	-1.078	10	10	in-vitro	JACEML