smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(C)C[C@@]2([N+](=O)[O-])CC=C(OCCCl)[C@]([N+](=O)[O-])(C2)C1	ZINC000004601782	717098284	/nfs/dbraw/zinc/09/82/84/717098284.db2.gz	JUKZVCDEHMYQLF-NEPJUHHUSA-N	1	0	320.753	1.041	40	50		DDGBRO
C[N+]1(CCC(=O)NN=C2C3CC4CC(C3)CC2C4)CCOCC1	ZINC000001462616	717087571	/nfs/dbraw/zinc/08/75/71/717087571.db2.gz	ITFOLPPOINPGOW-UHFFFAOYSA-O	1	0	320.457	1.782	40	50		DDGBRO
CCOc1ccc(/C=N\NC(=O)C[N+](C)(C)C)cc1OCC	ZINC000031937762	717120576	/nfs/dbraw/zinc/12/05/76/717120576.db2.gz	WKIFUNPVZHBRAD-BOPFTXTBSA-O	1	0	308.402	1.640	40	50		DDGBRO
C[N+](C)(C)CC(=O)N/N=C/c1cc(Br)ccc1O	ZINC000001847144	717089928	/nfs/dbraw/zinc/08/99/28/717089928.db2.gz	DDSYFBTVFUHYGU-UHFFFAOYSA-O	1	0	315.191	1.311	40	50		DDGBRO
CCOc1ccc(/C=N/NC(=O)C[N+](C)(C)C)cc1OCC	ZINC000001847155	717090066	/nfs/dbraw/zinc/09/00/66/717090066.db2.gz	WKIFUNPVZHBRAD-GZTJUZNOSA-O	1	0	308.402	1.640	40	50		DDGBRO
C[N+]1(C)C[C@]2([N+](=O)[O-])C[C@@]([N+](=O)[O-])(CC=C2OCCCl)C1	ZINC000004601780	717098760	/nfs/dbraw/zinc/09/87/60/717098760.db2.gz	JUKZVCDEHMYQLF-NWDGAFQWSA-N	1	0	320.753	1.041	40	50		DDGBRO