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-])c1cccc(CSc2nnc([N-]c3ccccc3F)s2)c1	ZINC000003464472	568367416	/nfs/dbraw/zinc/36/74/16/568367416.db2.gz	JYERWDYCJZPXDM-UHFFFAOYSA-N	-1	3	362.411	4.621	20	5		FJBDHM
O=C([N-]c1nc(-c2ccc(Cl)s2)cs1)c1ccc([N+](=O)[O-])s1	ZINC000006994835	568133694	/nfs/dbraw/zinc/13/36/94/568133694.db2.gz	HJPCZJSZAYMWFO-UHFFFAOYSA-N	-1	3	371.852	4.747	20	5		FJBDHM
O=C([N-]c1nc2ccc(Cl)cc2s1)c1cc2cc([N+](=O)[O-])ccc2o1	ZINC000603727661	568144001	/nfs/dbraw/zinc/14/40/01/568144001.db2.gz	KRIZSNUAHCXFQH-UHFFFAOYSA-N	-1	3	373.777	4.856	20	5		FJBDHM
O=C([N-]c1cc(F)ccc1Cl)c1c([N+](=O)[O-])cccc1C(F)(F)F	ZINC000569566245	568407932	/nfs/dbraw/zinc/40/79/32/568407932.db2.gz	XXLAMZXVQAOWTK-UHFFFAOYSA-N	-1	3	362.666	4.658	20	5		FJBDHM
CC(C)CCSc1ccc(C(=O)Nc2ccccc2[O-])cc1[N+](=O)[O-]	ZINC000105324672	222367489	/nfs/dbraw/zinc/36/74/89/222367489.db2.gz	QSTJFXXIFXHCIG-UHFFFAOYSA-N	-1	3	360.435	4.691	20	5		FJBDHM
Cc1cc(C)c(-c2csc([N-]C(=O)c3ccc([N+](=O)[O-])s3)n2)c(C)c1	ZINC000007796294	568256491	/nfs/dbraw/zinc/25/64/91/568256491.db2.gz	ZJHMQKKTPSJTEC-UHFFFAOYSA-N	-1	3	373.459	4.957	20	5		FJBDHM
COc1cc(CNc2cccc(C(F)F)c2Cl)c([N+](=O)[O-])cc1[O-]	ZINC000541787192	567829976	/nfs/dbraw/zinc/82/99/76/567829976.db2.gz	NABREJGRDBMHRA-UHFFFAOYSA-N	-1	3	358.728	4.512	20	5		FJBDHM
c1ccc(-c2nc(SCc3nc4ccccc4c4ccccc34)n[n-]2)nc1	ZINC000604932755	568395151	/nfs/dbraw/zinc/39/51/51/568395151.db2.gz	JSEXLCYLVWELAM-UHFFFAOYSA-N	-1	3	369.453	4.860	20	5		FJBDHM