smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(S(=O)(=O)[N-]c2cc(SCCC(=O)[O-])c(O)c3ccccc23)cc1	ZINC000008870776	562965511	/nfs/dbraw/zinc/96/55/11/562965511.db2.gz	YBKBVLMPQAVQBO-UHFFFAOYSA-N	-2	1	445.562	5.036	50	10		IKCAML
O=S(=O)([N-]c1cc(Sc2ccc(Cl)cc2)c([O-])c2ccccc12)c1cccs1	ZINC000002685416	556119047	/nfs/dbraw/zinc/11/90/47/556119047.db2.gz	XTSXSUBKFHCNNV-UHFFFAOYSA-N	-2	1	447.990	6.212	50	10		IKCAML
Cc1[n-]n(-c2c(Cl)cc(Cl)cc2Cl)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000013882023	556326491	/nfs/dbraw/zinc/32/64/91/556326491.db2.gz	OGAVFBWFZPSFGJ-XFFZJAGNSA-N	-2	1	431.106	5.724	50	10		IKCAML
O=C1[N-]C(=O)N(c2ccc(OCc3ccccc3)cc2)C(=O)C1=Cc1ccc([O-])c(Cl)c1	ZINC000034234801	556807195	/nfs/dbraw/zinc/80/71/95/556807195.db2.gz	NEIVFUIEOSJVNE-UNOMPAQXSA-N	-2	1	448.862	5.131	50	10		IKCAML
Cc1ccc(Sc2cc([N-]S(=O)(=O)c3cccs3)c3ccccc3c2[O-])cc1	ZINC000002184842	555755275	/nfs/dbraw/zinc/75/52/75/555755275.db2.gz	XMDCWYSVDPQTDM-UHFFFAOYSA-N	-2	1	427.572	5.867	50	10		IKCAML