smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3)OS(=O)(=O)c3ccccc32)cc(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000004261885	552454146	/nfs/dbraw/zinc/45/41/46/552454146.db2.gz	ORZHVTYKPFFVMG-UHFFFAOYSA-N	-2	2	672.665	1.668	50	30	in-vitro	KDEALL
Cc1cc(/C(c2ccccc2S(=O)(=O)[O-])=C2/C=C(C)C(=O)C(CN(CC(=O)[O-])CC(=O)[O-])=C2)cc(C[NH+](CC(=O)[O-])CC(=O)[O-])c1O	ZINC000150342923	571458801	/nfs/dbraw/zinc/45/88/01/571458801.db2.gz	SESORLVFYDXIDP-ZTKZIYFRSA-N	-4	2	672.665	1.647	50	30		KDEALL