smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2nc3c(=O)[n-]c(=O)nc-3n(CCN(CCO)CCO)c2cc1CC	ZINC000001589442	569012616	/nfs/dbraw/zinc/01/26/16/569012616.db2.gz	WGTYXAXOQRKOSK-UHFFFAOYSA-N	-1	1	401.467	-0.004	50	5		HBBAMM
CCC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@H]2C1	ZINC000017027180	569271906	/nfs/dbraw/zinc/27/19/06/569271906.db2.gz	BOLXCPRMAQGGKC-CYBMUJFWSA-N	-1	1	401.379	-0.070	50	5		HBBAMM
CCC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000018177989	560781554	/nfs/dbraw/zinc/78/15/54/560781554.db2.gz	BOLXCPRMAQGGKC-ZDUSSCGKSA-N	-1	1	401.379	-0.070	50	5		HBBAMM