smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@@H](c1ccc([O-])c(Cl)c1)CC(=O)O2	ZINC000217987153	569455585	/nfs/dbraw/zinc/45/55/85/569455585.db2.gz	HQCGIBZAZGGGIY-QGZVFWFLSA-N	-1	1	425.868	3.905	50	70	biogenic	IHIAMM
COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cccc(O)c1	ZINC000217728602	569452295	/nfs/dbraw/zinc/45/22/95/569452295.db2.gz	GOWGNAKKDQLLCN-IBGZPJMESA-N	-1	1	436.508	3.798	50	70	biogenic	IHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711923	569452093	/nfs/dbraw/zinc/45/20/93/569452093.db2.gz	NXABUXOOADXNKF-AWEZNQCLSA-N	-1	1	431.400	3.716	50	70	biogenic	IHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712455	569452128	/nfs/dbraw/zinc/45/21/28/569452128.db2.gz	KENQLSDUAKPIRH-AWEZNQCLSA-N	-1	1	431.400	3.716	50	70	biogenic	IHIAMM
COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1cccc(O)c1	ZINC000217728516	569452290	/nfs/dbraw/zinc/45/22/90/569452290.db2.gz	GOWGNAKKDQLLCN-LJQANCHMSA-N	-1	1	436.508	3.798	50	70	biogenic	IHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2cccnc2)CC(=O)O4)cc1O	ZINC000217712366	569452139	/nfs/dbraw/zinc/45/21/39/569452139.db2.gz	KENQLSDUAKPIRH-CQSZACIVSA-N	-1	1	431.400	3.716	50	70	biogenic	IHIAMM
COC(=O)C[C@@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)cc1	ZINC000217647308	569450836	/nfs/dbraw/zinc/45/08/36/569450836.db2.gz	LGPHQNISMKHRDH-LJQANCHMSA-N	-1	1	436.508	3.798	50	70	biogenic	IHIAMM
COC(=O)C[C@H](c1c(=O)[nH][n-]c1Cc1ccc2c(c1)CCC(C)(C)O2)c1ccc(O)cc1	ZINC000217647384	569450829	/nfs/dbraw/zinc/45/08/29/569450829.db2.gz	LGPHQNISMKHRDH-IBGZPJMESA-N	-1	1	436.508	3.798	50	70	biogenic	IHIAMM
Cc1cc2c(c(=O)n1CCc1ccc(O)cc1)[C@H](c1ccc([O-])c(Cl)c1)CC(=O)O2	ZINC000217987068	568940195	/nfs/dbraw/zinc/94/01/95/568940195.db2.gz	HQCGIBZAZGGGIY-KRWDZBQOSA-N	-1	1	425.868	3.905	50	70	biogenic	IHIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](c2ccncc2)CC(=O)O4)cc1O	ZINC000217711847	569452113	/nfs/dbraw/zinc/45/21/13/569452113.db2.gz	NXABUXOOADXNKF-CQSZACIVSA-N	-1	1	431.400	3.716	50	70	biogenic	IHIAMM