smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(C[C@@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000573239064	1072556608	/nfs/dbraw/zinc/55/66/08/1072556608.db2.gz	QQSOXFSRJRFJKI-HNNXBMFYSA-N	1	3	386.474	-0.434	20	5		GBBDHO
CN1CCN(C[C@H](O)C[NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000573239065	1072556695	/nfs/dbraw/zinc/55/66/95/1072556695.db2.gz	QQSOXFSRJRFJKI-OAHLLOKOSA-N	1	3	386.474	-0.434	20	5		GBBDHO