smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cn(CCOc3ccccc3)c3ccccc23)[nH]1	ZINC000409335538	559247712	/nfs/dbraw/zinc/24/77/12/559247712.db2.gz	OUYJHCBOYDUZOZ-ZHACJKMWSA-N	-2	0	418.409	4.000	40	5		HIBBRL
O=c1[n-]c(C=Cc2cn(Cc3ccc(F)cc3)c3ccccc23)nc([O-])c1[N+](=O)[O-]	ZINC000409349700	559248006	/nfs/dbraw/zinc/24/80/06/559248006.db2.gz	VVVAEYYGTOSESO-JXMROGBWSA-N	-2	0	406.373	4.109	40	5		HIBBRL
O=c1[n-]c(C=Cc2c(OCc3ccccc3)ccc3ccccc32)nc([O-])c1[N+](=O)[O-]	ZINC000098031137	559022884	/nfs/dbraw/zinc/02/28/84/559022884.db2.gz	XYNCEWFOVJFINX-QBFSEMIESA-N	-2	0	415.405	4.286	40	5		HIBBRL
O=C([O-])c1ccc(-c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])o1	ZINC000226353780	568806837	/nfs/dbraw/zinc/80/68/37/568806837.db2.gz	PNKAUVMUGNTCBF-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL
O=C([O-])c1ccc2c3ccc4c(=O)oc(=O)c5ccc(c6ccc(C(=O)[O-])c1c26)c3c45	ZINC000101463329	559147033	/nfs/dbraw/zinc/14/70/33/559147033.db2.gz	GCVHHLBDALNLMN-UHFFFAOYSA-N	-2	0	410.337	4.038	40	5		HIBBRL
O=C([O-])/C(=C/c1cc([N+](=O)[O-])ccc1[O-])Sc1nnc(-c2ccc(Cl)cc2)o1	ZINC000408631738	559222364	/nfs/dbraw/zinc/22/23/64/559222364.db2.gz	BJOQSXGKBITPBS-ZSOIEALJSA-N	-2	0	419.802	4.222	40	5		HIBBRL
O=C([O-])c1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2Cl)o1	ZINC000226353892	559273585	/nfs/dbraw/zinc/27/35/85/559273585.db2.gz	ZQAZIHKFVKKGLK-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)o1	ZINC000226353751	559273588	/nfs/dbraw/zinc/27/35/88/559273588.db2.gz	BNLBELYRQWZPIB-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL
O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2Cl)o1	ZINC000226353726	559273607	/nfs/dbraw/zinc/27/36/07/559273607.db2.gz	MPQQXHQTORUJRY-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL
O=c1[n-]c(C=Cc2ccc(OCc3c(F)cccc3Cl)cc2)nc([O-])c1[N+](=O)[O-]	ZINC000408598789	559220182	/nfs/dbraw/zinc/22/01/82/559220182.db2.gz	BFWAZTWKSLJUFS-RMKNXTFCSA-N	-2	0	417.780	4.338	40	5		HIBBRL
O=C([O-])c1ccc(-c2ccc(Cl)cc2[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1	ZINC000226353835	559273561	/nfs/dbraw/zinc/27/35/61/559273561.db2.gz	DHWYXAIIPGXFFJ-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL
O=C([O-])c1ccc(Oc2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1C(=O)[O-]	ZINC000003146349	568858042	/nfs/dbraw/zinc/85/80/42/568858042.db2.gz	RGOIKISPNOZPGR-UHFFFAOYSA-N	-2	0	422.349	4.036	40	5		HIBBRL
O=C([O-])c1ccc(-c2cc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc2Cl)o1	ZINC000226353930	568806932	/nfs/dbraw/zinc/80/69/32/568806932.db2.gz	NNXLJEHOXVDPQP-UHFFFAOYSA-N	-2	0	422.802	4.007	40	5		HIBBRL