smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(-c2cc3cc(O)c([O-])cc3oc2=O)ccc1O	ZINC000073167063	191288083	/nfs/dbraw/zinc/28/80/83/191288083.db2.gz	CLLMMMRKXJTLFW-UHFFFAOYSA-N	-1	0	300.266	2.585	1	10		DFCFRM
COc1cc(-c2coc3c(O)c([O-])ccc3c2=O)ccc1O	ZINC000064549050	184299474	/nfs/dbraw/zinc/29/94/74/184299474.db2.gz	QPOFOCCKNNVDAR-UHFFFAOYSA-N	-1	0	300.266	2.585	1	10		DFCFRM
O=C([O-])CSc1nnc(-c2ccco2)c(-c2ccco2)n1	ZINC000001221514	180849970	/nfs/dbraw/zinc/84/99/70/180849970.db2.gz	ROQWAQIFXDUUKU-UHFFFAOYSA-N	-1	0	303.299	2.568	1	10		DFCFRM
CC(=O)CCc1ccc2c(c1C)C(=O)c1cc([O-])ccc1C2=O	ZINC000014490889	290907345	/nfs/dbraw/zinc/90/73/45/290907345.db2.gz	ZXMFLWCLJYELEM-UHFFFAOYSA-N	-1	0	308.333	2.998	1	10	biogenic,in-vitro	DFCFRM
O=C([O-])/C=C/c1ccc(O)c(O)c1/C=C\c1ccc(O)c(O)c1	ZINC000095915000	290912007	/nfs/dbraw/zinc/91/20/07/290912007.db2.gz	PULWRMOKQNWQBD-QRYPCPAXSA-N	-1	0	314.293	2.777	1	10	biogenic,in-vitro	DFCFRM
O=C([O-])c1cc2cc(O)c(O)cc2n1CC(=O)c1ccccc1	ZINC000084690876	192458109	/nfs/dbraw/zinc/45/81/09/192458109.db2.gz	KGNDSSNOKGLXAQ-UHFFFAOYSA-N	-1	0	311.293	2.634	1	10		DFCFRM
COc1cc2c(=O)cc(-c3ccc(O)c(O)c3)oc2cc1[O-]	ZINC000040409869	183062726	/nfs/dbraw/zinc/06/27/26/183062726.db2.gz	STCLYCCAPYNAAW-UHFFFAOYSA-N	-1	0	300.266	2.585	1	10		DFCFRM
O=C1OC(=Cc2ccc(O)c(O)c2)C([O-])=C1c1ccc(O)cc1	ZINC000085637433	571786527	/nfs/dbraw/zinc/78/65/27/571786527.db2.gz	ZGCIQJGTALTNIG-ZSOIEALJSA-N	-1	0	312.277	2.670	1	10	endogenous,in-man	DFCFRM
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](C(=O)[O-])N2	ZINC000013142360	181833381	/nfs/dbraw/zinc/83/33/81/181833381.db2.gz	UQDAGNYDBCICLZ-XEZPLFJOSA-N	-1	0	314.385	2.707	1	10		DFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(C)cc(C)cc1C	ZINC000102425302	193886060	/nfs/dbraw/zinc/88/60/60/193886060.db2.gz	XNMJUOWDLYPHCO-WGKGOADCSA-N	-1	0	303.391	2.526	1	10		DFCFRM
Cc1cc(C(=O)O[C@@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000095614980	185382609	/nfs/dbraw/zinc/38/26/09/185382609.db2.gz	CLQCMRDHQCCPEN-NSHDSACASA-N	-1	0	305.305	2.863	1	10		DFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1c(C)cc(C)cc1C	ZINC000006825430	181395803	/nfs/dbraw/zinc/39/58/03/181395803.db2.gz	XNMJUOWDLYPHCO-ICDILTBESA-N	-1	0	303.391	2.526	1	10		DFCFRM
CC1=C([O-])C(C)[C@@H]2O[C@@H](c3ccc(O)c(O)c3)CC(=O)[C@@H]2C1=O	ZINC000095910290	560058837	/nfs/dbraw/zinc/05/88/37/560058837.db2.gz	LSKGGQUKANSNCD-CPUCHLNUSA-N	-1	0	318.325	2.791	1	10	biogenic,in-vitro	DFCFRM
O=C([O-])CCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000038983464	183013254	/nfs/dbraw/zinc/01/32/54/183013254.db2.gz	RVUYEKXBCKYZND-UHFFFAOYSA-N	-1	0	319.316	2.688	1	10		DFCFRM
Cc1cc(-c2coc3c(O)c([O-])cc(O)c3c2=O)ccc1O	ZINC000095099479	560062329	/nfs/dbraw/zinc/06/23/29/560062329.db2.gz	YAKJQHWLQVKMSB-UHFFFAOYSA-N	-1	0	300.266	2.591	1	10	biogenic,in-vitro	DFCFRM
O=c1cc(C=Cc2ccc(O)c(O)c2)oc2cc([O-])cc(O)c12	ZINC000003596200	181037874	/nfs/dbraw/zinc/03/78/74/181037874.db2.gz	ITPNLPJRQLRVSC-HNQUOIGGSA-N	-1	0	312.277	2.786	1	10		DFCFRM
CCOc1cc([O-])cc2oc(-c3ccc(O)c(O)c3)cc(=O)c12	ZINC000064448701	184297429	/nfs/dbraw/zinc/29/74/29/184297429.db2.gz	AMNGHMSGIHDILP-UHFFFAOYSA-N	-1	0	314.293	2.976	1	10		DFCFRM
Cc1cc(O)c2c(c1)C(=O)c1cc([O-])c(Cl)c(O)c1C2=O	ZINC000004098655	560196039	/nfs/dbraw/zinc/19/60/39/560196039.db2.gz	AVSZOSVPTLSHOV-UHFFFAOYSA-N	-1	0	304.685	2.541	1	10	in-vitro	DFCFRM
Cc1[n-]n(C(N)=S)c(=O)c1N=Nc1cccc(Cl)c1C	ZINC000006825132	181395578	/nfs/dbraw/zinc/39/55/78/181395578.db2.gz	ZRCTWNUFYGPSRA-GLTXTHCDSA-N	-1	0	309.782	2.562	1	10		DFCFRM
Cc1cc(C(=O)O[C@H](C)C(=O)[O-])c(C)n1-c1ccc(F)cc1	ZINC000095614981	185382803	/nfs/dbraw/zinc/38/28/03/185382803.db2.gz	CLQCMRDHQCCPEN-LLVKDONJSA-N	-1	0	305.305	2.863	1	10		DFCFRM