smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1ccc(Oc2cccc(F)c2NC(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-]	ZINC000013587609	562995800	/nfs/dbraw/zinc/99/58/00/562995800.db2.gz	PDSGSWUNDWJOFE-UHFFFAOYSA-N	-2	0	441.327	3.570	1	5		IHBFRL
CC(C)C[C@@]1(C(=O)[O-])C[C@H](C(=O)[O-])[C@H](c2cccs2)N1C(=O)c1ccc([N+](=O)[O-])cc1	ZINC000028130194	563051293	/nfs/dbraw/zinc/05/12/93/563051293.db2.gz	HQDBCEUNKPQNFK-XPIZARPCSA-N	-2	0	446.481	3.814	1	5		IHBFRL
O=C([O-])c1ccc(-c2ccc(-c3cn(Cc4ccc(C(=O)[O-])cc4[N+](=O)[O-])nn3)cc2)cc1	ZINC000084710798	563177420	/nfs/dbraw/zinc/17/74/20/563177420.db2.gz	FWCLNCFCXODULY-UHFFFAOYSA-N	-2	0	444.403	3.965	1	5		IHBFRL
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1c3ccccc3cc3ccccc31)C(=O)[O-])C2=O	ZINC000013816029	563009290	/nfs/dbraw/zinc/00/92/90/563009290.db2.gz	BSAXSZXLQUMCMX-JOCHJYFZSA-N	-2	0	439.423	3.983	1	5		IHBFRL
O=C([O-])c1cccc(-c2ccc(-c3cn(Cc4ccc(C(=O)[O-])cc4[N+](=O)[O-])nn3)cc2)c1	ZINC000084727872	563178214	/nfs/dbraw/zinc/17/82/14/563178214.db2.gz	TYJNAOJBBUASBU-UHFFFAOYSA-N	-2	0	444.403	3.965	1	5		IHBFRL
O=C([O-])C1=C(C(=O)[O-])N(c2ccncc2)C(c2ccco2)=C[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000005581847	132275498	/nfs/dbraw/zinc/27/54/98/132275498.db2.gz	XMAWITGDXLGXBE-OAHLLOKOSA-N	-2	0	433.376	3.651	1	5		IHBFRL
O=C([O-])c1ccc(Cn2cc(-c3ccc(-c4ccccc4C(=O)[O-])cc3)nn2)c([N+](=O)[O-])c1	ZINC000084727866	563178180	/nfs/dbraw/zinc/17/81/80/563178180.db2.gz	YJEOSHSLFWMFMN-UHFFFAOYSA-N	-2	0	444.403	3.965	1	5		IHBFRL
O=C([O-])c1ccc(Oc2ccc(F)cc2NC(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-]	ZINC000013587612	562995788	/nfs/dbraw/zinc/99/57/88/562995788.db2.gz	NDEXRLSYNXSBIM-UHFFFAOYSA-N	-2	0	441.327	3.570	1	5		IHBFRL