smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S(=O)([O-])c1cc([O-])c2ccc3c4c(ccc1c24)c(S(=O)(=O)[O-])cc3S(=O)(=O)[O-]	ZINC000003594314	194340124	/nfs/dbraw/zinc/34/01/24/194340124.db2.gz	OBJOZRVSMLPASY-UHFFFAOYSA-N	-4	3	458.447	2.030	50	5	in-vitro	JEBAHL
COc1ccc([N-]S(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1	ZINC000009493112	555274366	/nfs/dbraw/zinc/27/43/66/555274366.db2.gz	ZVFGASGCBDHZTF-UHFFFAOYSA-N	-2	3	471.513	2.284	50	5		JEBAHL
COc1cc2c(cc1OC)C(C[C@H](c1ccccc1[N+](=O)[O-])c1c([O-])[nH]c(=O)[n-]c1=O)=NCC2	ZINC000004648392	194393505	/nfs/dbraw/zinc/39/35/05/194393505.db2.gz	FBNPRSCBVQHWAQ-OAHLLOKOSA-N	-2	3	466.450	2.262	50	5		JEBAHL
COc1cc2c(cc1OC)C(C[C@@H](c1ccccc1[N+](=O)[O-])c1c([O-])[nH]c(=O)[n-]c1=O)=NCC2	ZINC000009012284	554864558	/nfs/dbraw/zinc/86/45/58/554864558.db2.gz	FBNPRSCBVQHWAQ-HNNXBMFYSA-N	-2	3	466.450	2.262	50	5		JEBAHL
O=c1c2ccc3c(=O)n(-c4ccccc4[O-])c(=O)c4ccc(c(=O)n1-c1ccccc1[O-])c2c34	ZINC000000828299	553789529	/nfs/dbraw/zinc/78/95/29/553789529.db2.gz	LTOJBYVTUPPJNP-UHFFFAOYSA-N	-2	3	450.406	2.455	50	5		JEBAHL