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)c2[N-]C(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-]	ZINC000013587609	562995801	/nfs/dbraw/zinc/99/58/01/562995801.db2.gz	PDSGSWUNDWJOFE-UHFFFAOYSA-N	-3	3	441.327	3.570	1	5		IHBFHL
O=C([O-])[C@@H]1C[C@@H]2O[C@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)[N-]C4=O	ZINC000003784283	562937780	/nfs/dbraw/zinc/93/77/80/562937780.db2.gz	GCLAPTFOXMTNSU-BKNZZOIVSA-N	-2	3	437.411	3.918	1	5		IHBFHL
O=C([O-])c1ccc(-n2c(/C=C/c3cccc([N+](=O)[O-])c3)nc3ccc([O-])cc3c2=O)cc1	ZINC000058592725	563145709	/nfs/dbraw/zinc/14/57/09/563145709.db2.gz	PMBXHIPVWSZYMJ-NYYWCZLTSA-N	-2	3	429.388	3.868	1	5		IHBFHL
COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CC=C(C)C)C[C@@H](C(C)(C)O)O4	ZINC000014586273	291369101	/nfs/dbraw/zinc/36/91/01/291369101.db2.gz	PDCFTPUXIGMZDM-SFHVURJKSA-N	-2	3	426.465	3.949	1	5	biogenic,in-vitro	IHBFHL
O=C(NC(=Cc1ccc([N+](=O)[O-])cc1)c1nc2c([n-]1)[n-]c(=S)[nH]c2=O)c1ccccc1	ZINC000017190687	563021477	/nfs/dbraw/zinc/02/14/77/563021477.db2.gz	JOHWGEPCKGADCM-UVTDQMKNSA-N	-2	3	434.437	3.557	1	5		IHBFHL
COc1c([O-])cc2oc3cc([O-])c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)[C@@H](O)C4	ZINC000014455726	291368781	/nfs/dbraw/zinc/36/87/81/291368781.db2.gz	YHXWPTCZEWMDBD-SFHVURJKSA-N	-2	3	426.465	3.949	1	5	biogenic,in-vitro	IHBFHL
COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CC=C(C)C)C[C@H](C(C)(C)O)O4	ZINC000014586272	563014633	/nfs/dbraw/zinc/01/46/33/563014633.db2.gz	PDCFTPUXIGMZDM-GOSISDBHSA-N	-2	3	426.465	3.949	1	5		IHBFHL
CCCCc1cc([O-])c([N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1	ZINC000028253268	563052222	/nfs/dbraw/zinc/05/22/22/563052222.db2.gz	DUHOKLQDRPENGN-UHFFFAOYSA-N	-2	3	446.467	3.700	1	5		IHBFHL
CCCCc1cc([O-])c([N+](=O)[O-])c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1	ZINC000028253268	563052223	/nfs/dbraw/zinc/05/22/23/563052223.db2.gz	DUHOKLQDRPENGN-UHFFFAOYSA-N	-2	3	446.467	3.700	1	5		IHBFHL
O=C([O-])c1ccc(Oc2ccc(F)cc2[N-]C(=O)c2cc([N+](=O)[O-])ccn2)cc1C(=O)[O-]	ZINC000013587612	562995789	/nfs/dbraw/zinc/99/57/89/562995789.db2.gz	NDEXRLSYNXSBIM-UHFFFAOYSA-N	-3	3	441.327	3.570	1	5		IHBFHL
COc1c([O-])cc2oc3cc([O-])c4c(c3c(=O)c2c1CC=C(C)C)OC(C)(C)[C@H](O)C4	ZINC000014455725	291369025	/nfs/dbraw/zinc/36/90/25/291369025.db2.gz	YHXWPTCZEWMDBD-GOSISDBHSA-N	-2	3	426.465	3.949	1	5	biogenic,in-vitro	IHBFHL