smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cccc(Cl)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840538	375680063	/nfs/dbraw/zinc/68/00/63/375680063.db2.gz	NJFTZSDGBXWXJT-PLNGDYQASA-N	-2	3	293.666	1.795	50	5		CDBAHL
Nc1nc([O-])c(Sc2ccccc2[N+](=O)[O-])c(=O)[n-]1	ZINC000005071723	360168955	/nfs/dbraw/zinc/16/89/55/360168955.db2.gz	WGPCNWAIOHJDGG-UHFFFAOYSA-N	-2	3	280.265	1.117	50	5		CDBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([O-])cc2)[nH]1	ZINC000004891479	170036764	/nfs/dbraw/zinc/03/67/64/170036764.db2.gz	IXRBZNCTCYNHKP-ZZXKWVIFSA-N	-2	3	275.220	1.260	50	5		CDBAHL
O=c1nc(C=Cc2ccccc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840531	375679357	/nfs/dbraw/zinc/67/93/57/375679357.db2.gz	WTMMNABBVHOZLT-WAYWQWQTSA-N	-2	3	277.211	1.281	50	5		CDBAHL
O=c1ccnc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[n-]1	ZINC000089769894	712373788	/nfs/dbraw/zinc/37/37/88/712373788.db2.gz	HSDCQHZOSBIZRD-DAFODLJHSA-N	-2	3	259.221	1.554	50	5		CDBAHL
O=c1[n-]c(=O)c(Cc2ccccc2[N+](=O)[O-])c([O-])[nH]1	ZINC000001314364	375688042	/nfs/dbraw/zinc/68/80/42/375688042.db2.gz	FBYORWIZWPXKOM-UHFFFAOYSA-N	-2	3	263.209	1.092	50	5		CDBAHL
O=C([O-])c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000037291187	173097016	/nfs/dbraw/zinc/09/70/16/173097016.db2.gz	GACIUHLMHIZKTO-UHFFFAOYSA-N	-2	3	283.627	1.838	50	5		CDBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccc([O-])cc2)[nH]1	ZINC000033448895	359698529	/nfs/dbraw/zinc/69/85/29/359698529.db2.gz	IXRBZNCTCYNHKP-UTCJRWHESA-N	-2	3	275.220	1.260	50	5		CDBAHL
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2ccccc2[O-])[nH]1	ZINC000003898357	169922300	/nfs/dbraw/zinc/92/23/00/169922300.db2.gz	ZRWFODUHPFTRCH-AATRIKPKSA-N	-2	3	275.220	1.260	50	5		CDBAHL
O=c1nc(C=Cc2ccccc2F)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013593336	357189560	/nfs/dbraw/zinc/18/95/60/357189560.db2.gz	WTMMNABBVHOZLT-AATRIKPKSA-N	-2	3	277.211	1.281	50	5		CDBAHL
O=c1nc(C=Cc2c[nH]c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000013616843	357198244	/nfs/dbraw/zinc/19/82/44/357198244.db2.gz	NNYBAUSTLGTEJW-WAYWQWQTSA-N	-2	3	298.258	1.623	50	5		CDBAHL
O=c1ccnc(C=Cc2cc([O-])ccc2[N+](=O)[O-])[n-]1	ZINC000098053054	688182105	/nfs/dbraw/zinc/18/21/05/688182105.db2.gz	HSDCQHZOSBIZRD-RJRFIUFISA-N	-2	3	259.221	1.554	50	5		CDBAHL
O=c1nc(C=Cc2cccc(F)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000030840446	375679421	/nfs/dbraw/zinc/67/94/21/375679421.db2.gz	AEWZUNRDZSLGDO-PLNGDYQASA-N	-2	3	277.211	1.281	50	5		CDBAHL
COc1cc(C=C2SC(=O)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000039780179	174173380	/nfs/dbraw/zinc/17/33/80/174173380.db2.gz	NUKUFIYNEFXNIP-YWEYNIOJSA-N	-2	3	296.260	1.633	50	5		CDBAHL
O=C([O-])c1cc([N+](=O)[O-])c([O-])c(Br)c1[O-]	ZINC000004114392	169934278	/nfs/dbraw/zinc/93/42/78/169934278.db2.gz	ONMZRWKKRUPFCI-UHFFFAOYSA-N	-3	3	278.014	1.467	50	5		CDBAHL
COc1cc(C=C2SC(=O)[N-]C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000015011974	361918894	/nfs/dbraw/zinc/91/88/94/361918894.db2.gz	NUKUFIYNEFXNIP-XBXARRHUSA-N	-2	3	296.260	1.633	50	5		CDBAHL
Cc1cc(C(=O)[N-]c2cc([N+](=O)[O-])ccc2[O-])on1	ZINC000095451136	374952286	/nfs/dbraw/zinc/95/22/86/374952286.db2.gz	IPBANMZOIKMGAN-UHFFFAOYSA-N	-2	3	263.209	1.849	50	5		CDBAHL
Cc1[nH]nc(C(=O)[N-]c2c([O-])cccc2F)c1[N+](=O)[O-]	ZINC000096436589	329526392	/nfs/dbraw/zinc/52/63/92/329526392.db2.gz	YXKGDONLXGHXKU-UHFFFAOYSA-N	-2	3	280.215	1.723	50	5		CDBAHL