smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(cc3c(=O)c4ccc([O-])cc4oc31)OC(C)(C)C=C2	ZINC000096928333	185392219	/nfs/dbraw/zinc/39/22/19/185392219.db2.gz	VDGAJTXECCMWHR-UHFFFAOYSA-N	-1	1	324.332	3.845	1	5		DHBFMM
O=C(c1ccccc1)c1ccc2[nH]c3ccccc3c(=O)c2c1[O-]	ZINC000058502256	184121030	/nfs/dbraw/zinc/12/10/30/184121030.db2.gz	GRMKFQYASBUJIX-UHFFFAOYSA-N	-1	1	315.328	3.618	1	5		DHBFMM
O=C(Nc1ccccc1)c1c[n-]c2c3ccccc3ccc2c1=O	ZINC000040956649	183151646	/nfs/dbraw/zinc/15/16/46/183151646.db2.gz	QEXMTOGDUFOXQG-UHFFFAOYSA-N	-1	1	314.344	3.934	1	5		DHBFMM
Cc1ccc([O-])c(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000095574470	185380585	/nfs/dbraw/zinc/38/05/85/185380585.db2.gz	XSRLJMGLNQLTLO-UHFFFAOYSA-N	-1	1	306.705	3.515	1	5		DHBFMM
CC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc([O-])c4oc23)O1	ZINC000013485105	560217475	/nfs/dbraw/zinc/21/74/75/560217475.db2.gz	XWRLBJDPJRDNKF-UHFFFAOYSA-N	-1	1	310.305	3.542	1	5	aggregator,biogenic,in-vitro	DHBFMM
CC1(C)C=Cc2c(c([O-])cc3oc4cccc(O)c4c(=O)c32)O1	ZINC000014768743	560226166	/nfs/dbraw/zinc/22/61/66/560226166.db2.gz	XLFLUEOTDUTLCF-UHFFFAOYSA-N	-1	1	310.305	3.542	1	5	biogenic,in-vitro	DHBFMM