smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(=S)Nc3ccc(-c4c5ccc(O)cc5oc5cc(=O)ccc4-5)c(C(=O)[O-])c3)cc2)cc1	ZINC000095612330	562785408	/nfs/dbraw/zinc/78/54/08/562785408.db2.gz	XQXLDTMLIZQSJA-UHFFFAOYSA-N	-1	2	730.802	4.903	1	5		KJBFLM
O=C([O-])c1cc(C(=O)NCc2ccc(Cc3cc([C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)ccc3Cl)cc2)ccc1-c1c2ccc(=O)cc-2oc2cc(O)ccc21	ZINC000095614794	562786893	/nfs/dbraw/zinc/78/68/93/562786893.db2.gz	MXLGDEIOPDBGJB-RZJQWKCISA-N	-1	2	752.172	4.658	1	5		KJBFLM
CN(Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1)C(=O)c1ccc(-c2c3ccc(O)cc3oc3cc(=O)ccc2-3)c(C(=O)[O-])c1	ZINC000095614898	562786928	/nfs/dbraw/zinc/78/69/28/562786928.db2.gz	TVDFDPBBFUNWCA-PIOUWGHTSA-N	-1	2	766.199	5.000	1	5		KJBFLM
NS(=O)(=O)c1ccc(OCCCCNC(=S)Nc2ccc(-c3c4ccc(O)cc4oc4cc(=O)ccc3-4)c(C(=O)[O-])c2)cc1	ZINC000299827270	562884089	/nfs/dbraw/zinc/88/40/89/562884089.db2.gz	GBKWJKOEXMBMQD-UHFFFAOYSA-N	-1	2	633.704	4.762	1	5		KJBFLM