smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-]	ZINC000098052543	543019534	/nfs/dbraw/zinc/01/95/34/543019534.db2.gz	SKBDCZAPZZBWJU-LYGAQUJYSA-N	-2	0	366.326	2.090	10	5	in-vitro	FEBERL
CCCCc1cc2c(=O)cc(C(=O)[O-])[nH]c2c2c(=O)cc(C(=O)[O-])[nH]c12	ZINC000004215124	204127825	/nfs/dbraw/zinc/12/78/25/204127825.db2.gz	BQVIONBNDNFCCP-UHFFFAOYSA-N	-2	0	356.334	2.109	10	5	in-man	FEBERL
C[C@H](OC(=O)N[C@@]1(C(=O)[O-])CC[C@@H](C(=O)[O-])C1)c1ccccc1[N+](=O)[O-]	ZINC000098052542	209201998	/nfs/dbraw/zinc/20/19/98/209201998.db2.gz	SKBDCZAPZZBWJU-IEVXNVSRSA-N	-2	0	366.326	2.090	10	5	in-vitro	FEBERL
COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1	ZINC000035346884	539980820	/nfs/dbraw/zinc/98/08/20/539980820.db2.gz	OUPPHJMZXFYURS-UHFFFAOYSA-N	-2	0	352.324	2.102	10	5		FEBERL
O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cn2)c1	ZINC000006588865	204255232	/nfs/dbraw/zinc/25/52/32/204255232.db2.gz	VHWHSSQREDRLNY-UHFFFAOYSA-N	-2	0	357.731	2.142	10	5		FEBERL
COc1cc([O-])c(C(=O)c2cc([N+](=O)[O-])c(OC)cc2[O-])cc1[N+](=O)[O-]	ZINC000003012566	539359081	/nfs/dbraw/zinc/35/90/81/539359081.db2.gz	CPZXUGBGRRBZJN-UHFFFAOYSA-N	-2	0	364.266	2.162	10	5		FEBERL