smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c(O)c(O)cc2oc(-c3ccc(O)c(O)c3)c(O)cc1-2	ZINC000004097730	181072387	/nfs/dbraw/zinc/07/23/87/181072387.db2.gz	PWDAKBACEAGRSH-UHFFFAOYSA-O	0	2	303.246	2.615	1	10		DFCFLN
O=c1cc2oc(-c3ccc(O)c(O)c3)c(O)cc-2c(O)c1O	ZINC000004097730	181072391	/nfs/dbraw/zinc/07/23/91/181072391.db2.gz	PWDAKBACEAGRSH-UHFFFAOYSA-O	0	2	303.246	2.615	1	10		DFCFLN
COc1cc(-c2coc3c(O)c(O)ccc3c2=O)ccc1O	ZINC000064549050	184299478	/nfs/dbraw/zinc/29/94/78/184299478.db2.gz	QPOFOCCKNNVDAR-UHFFFAOYSA-N	0	2	300.266	2.585	1	10		DFCFLN
O=C1OC(=Cc2ccc(O)c(O)c2)C(O)=C1c1ccc(O)cc1	ZINC000085637433	571786530	/nfs/dbraw/zinc/78/65/30/571786530.db2.gz	ZGCIQJGTALTNIG-ZSOIEALJSA-N	0	2	312.277	2.670	1	10	endogenous,in-man	DFCFLN
CC1C(=O)C(C)[C@@H]2O[C@@H](c3ccc(O)c(O)c3)CC(=O)[C@@H]2C1=O	ZINC000095910290	560058840	/nfs/dbraw/zinc/05/88/40/560058840.db2.gz	LSKGGQUKANSNCD-CPUCHLNUSA-N	0	2	318.325	2.791	1	10	biogenic,in-vitro	DFCFLN
Cc1cc(-c2coc3c(O)c(O)cc(O)c3c2=O)ccc1O	ZINC000095099479	560062330	/nfs/dbraw/zinc/06/23/30/560062330.db2.gz	YAKJQHWLQVKMSB-UHFFFAOYSA-N	0	2	300.266	2.591	1	10	biogenic,in-vitro	DFCFLN
O=c1cc(O)cc2oc(C=Cc3ccc(O)c(O)c3)cc(O)c1-2	ZINC000003596200	181037876	/nfs/dbraw/zinc/03/78/76/181037876.db2.gz	ITPNLPJRQLRVSC-HNQUOIGGSA-N	0	2	312.277	2.786	1	10		DFCFLN
O=c1cc(C=Cc2ccc(O)c(O)c2)oc2cc(O)cc(O)c12	ZINC000003596200	181037878	/nfs/dbraw/zinc/03/78/78/181037878.db2.gz	ITPNLPJRQLRVSC-HNQUOIGGSA-N	0	2	312.277	2.786	1	10		DFCFLN
CCOc1cc(O)cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448701	184297431	/nfs/dbraw/zinc/29/74/31/184297431.db2.gz	AMNGHMSGIHDILP-UHFFFAOYSA-N	0	2	314.293	2.976	1	10		DFCFLN
Cc1cc(O)c2c(c1)C(=O)c1cc(O)c(Cl)c(O)c1C2=O	ZINC000004098655	560196043	/nfs/dbraw/zinc/19/60/43/560196043.db2.gz	AVSZOSVPTLSHOV-UHFFFAOYSA-N	0	2	304.685	2.541	1	10	in-vitro	DFCFLN
COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(O)c1O	ZINC000003954302	181058890	/nfs/dbraw/zinc/05/88/90/181058890.db2.gz	AFOLOMGWVXKIQL-UHFFFAOYSA-O	0	2	317.273	2.918	1	10	in-man,metabolite	DFCFLN