smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(N2CCCC[C@H]2C(F)(F)F)cc1	ZINC000085652851	135037727	/nfs/dbraw/zinc/03/77/27/135037727.db2.gz	NHFQAPYABNRJNC-NSHDSACASA-N	0	0	274.242	3.516	30	5		CHBCRN
O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C(F)(F)F)cc1	ZINC000085652853	135037789	/nfs/dbraw/zinc/03/77/89/135037789.db2.gz	NHFQAPYABNRJNC-LLVKDONJSA-N	0	0	274.242	3.516	30	5		CHBCRN
O=[N+]([O-])c1cc(C(F)(F)F)c(Br)cc1F	ZINC000102236725	329109693	/nfs/dbraw/zinc/10/96/93/329109693.db2.gz	CYKDDFAZCMOGAI-UHFFFAOYSA-N	0	0	287.994	3.515	30	5		CHBCRN
Nc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1	ZINC000004245312	566885332	/nfs/dbraw/zinc/88/53/32/566885332.db2.gz	RPYLEMYPXWFZLA-UHFFFAOYSA-N	0	0	297.339	3.968	30	5		CHBCRN
CC(C)(C)OC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000049002091	518842510	/nfs/dbraw/zinc/84/25/10/518842510.db2.gz	QSPZPPNAGGOCFE-UHFFFAOYSA-N	0	0	272.688	3.595	30	5		CHBCRN
Nc1nc(-c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cs1	ZINC000004245259	566886567	/nfs/dbraw/zinc/88/65/67/566886567.db2.gz	IHGFTHNKUSUCIJ-UHFFFAOYSA-N	0	0	287.300	3.561	30	5		CHBCRN
Nc1nc(-c2ccc(-c3ccccc3[N+](=O)[O-])o2)cs1	ZINC000004245228	169948267	/nfs/dbraw/zinc/94/82/67/169948267.db2.gz	XPWMASOZELDLGP-UHFFFAOYSA-N	0	0	287.300	3.561	30	5		CHBCRN
CC(=O)c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	ZINC000004299140	169954855	/nfs/dbraw/zinc/95/48/55/169954855.db2.gz	CEAFZONNTPKNLB-UHFFFAOYSA-N	0	0	265.652	3.711	30	5		CHBCRN
CC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1	ZINC000004299139	169954883	/nfs/dbraw/zinc/95/48/83/169954883.db2.gz	UVXZKBUEZURAGG-UHFFFAOYSA-N	0	0	265.652	3.711	30	5		CHBCRN