smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[S@@+](=O)([O-])N=C1C=CC(=C([O-])[NH+]=C2C=CC(=S(=O)([O-])N3CCCC3)C=C2)C=C1	ZINC000409415994	560723618	/nfs/dbraw/zinc/72/36/18/560723618.db2.gz	UHXIDEMUGVWCOM-UHFFFAOYSA-O	-3	2	424.524	2.348	40	30		HEEBLL