smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)C[N-]c2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	ZINC000027104851	563039790	/nfs/dbraw/zinc/03/97/90/563039790.db2.gz	KKACZLLSFRWKSQ-UHFFFAOYSA-N	-1	1	433.377	1.284	1	5		IDBFMM
COc1ccc(NC(=O)[C@@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	ZINC000027104854	563039796	/nfs/dbraw/zinc/03/97/96/563039796.db2.gz	GKHBUJIPKNYFBY-LLVKDONJSA-N	-1	1	447.404	1.673	1	5		IDBFMM
O=c1[n-]/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C/c1ccc(OCc2ccccc2)cn1	ZINC000005596844	562944360	/nfs/dbraw/zinc/94/43/60/562944360.db2.gz	RSACHGINDYIKER-ADYPVIEZSA-N	-1	1	442.431	1.603	1	5		IDBFMM
COc1ccc(NC(=O)[C@H](C)[N-]c2c([N+](=O)[O-])cc(C(=O)NCCO)cc2[N+](=O)[O-])cc1	ZINC000027104857	563039828	/nfs/dbraw/zinc/03/98/28/563039828.db2.gz	GKHBUJIPKNYFBY-NSHDSACASA-N	-1	1	447.404	1.673	1	5		IDBFMM