smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(C)c([N+](=O)[O-])c2)o1)c1c(C)[n-][nH]c1=O	ZINC000409085054	560674169	/nfs/dbraw/zinc/67/41/69/560674169.db2.gz	WKWRLVVDKOYKNZ-UHFFFAOYSA-N	-2	3	409.402	3.818	40	5		HHBBHL
CCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)[O-])n[n-]1	ZINC000408631838	559222291	/nfs/dbraw/zinc/22/22/91/559222291.db2.gz	MCCFBMYEXMZCRB-DHDCSXOGSA-N	-2	3	416.415	3.762	40	5		HHBBHL
O=Cc1cc([N+](=O)[O-])ccc1Sc1nc(-c2cc(Br)ccc2[O-])n[n-]1	ZINC000408608915	559221274	/nfs/dbraw/zinc/22/12/74/559221274.db2.gz	XPQYDNBJKLAJEY-UHFFFAOYSA-N	-2	3	421.232	3.812	40	5		HHBBHL
O=c1nc(C=Cc2ccccc2OCc2cccc3ccccc32)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006496660	569333077	/nfs/dbraw/zinc/33/30/77/569333077.db2.gz	MAHKWQDSQBBRBV-OUKQBFOZSA-N	-2	3	415.405	3.874	40	5		HHBBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(C)cc2[N+](=O)[O-])o1)c1c(C)[n-][nH]c1=O	ZINC000096193505	568703263	/nfs/dbraw/zinc/70/32/63/568703263.db2.gz	YTDBIXFMLGOXFV-UHFFFAOYSA-N	-2	3	409.402	3.818	40	5		HHBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)[O-])n[n-]1	ZINC000408630880	559222314	/nfs/dbraw/zinc/22/23/14/559222314.db2.gz	DMCQFUBEIQCIIO-DHDCSXOGSA-N	-2	3	416.415	3.762	40	5		HHBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000408632749	559222468	/nfs/dbraw/zinc/22/24/68/559222468.db2.gz	SDDVXVUNLYAOMQ-DHDCSXOGSA-N	-2	3	416.415	3.762	40	5		HHBBHL
CCc1nc(SC(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[n-]1	ZINC000213400786	569271982	/nfs/dbraw/zinc/27/19/82/569271982.db2.gz	VKMXYZWJYDPZEC-ZSOIEALJSA-N	-2	3	404.379	3.892	40	5		HHBBHL