smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@H](CC(C)C)CC(=O)O4)cc1O	ZINC000217820297	568914072	/nfs/dbraw/zinc/91/40/72/568914072.db2.gz	DESWRZBNVXTDFI-CYBMUJFWSA-N	-1	1	410.422	4.319	50	70		HIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@H](CC(C)C)CC(=O)O4)cc1O	ZINC000217820297	568914074	/nfs/dbraw/zinc/91/40/74/568914074.db2.gz	DESWRZBNVXTDFI-CYBMUJFWSA-N	-1	1	410.422	4.319	50	70		HIIAMM
Cc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)o1	ZINC000217753936	568910410	/nfs/dbraw/zinc/91/04/10/568910410.db2.gz	QKTJRTNWJYZTDF-CQSZACIVSA-N	-1	1	404.374	4.214	50	70		HIIAMM
COc1ccc(-c2cc(=O)c3c([O-])cc4c(c3o2)[C@@H](CC(C)C)CC(=O)O4)cc1O	ZINC000217820208	568914020	/nfs/dbraw/zinc/91/40/20/568914020.db2.gz	DESWRZBNVXTDFI-ZDUSSCGKSA-N	-1	1	410.422	4.319	50	70		HIIAMM
COc1ccc(-c2cc([O-])c3c(=O)cc4c(c-3o2)[C@@H](CC(C)C)CC(=O)O4)cc1O	ZINC000217820208	568914022	/nfs/dbraw/zinc/91/40/22/568914022.db2.gz	DESWRZBNVXTDFI-ZDUSSCGKSA-N	-1	1	410.422	4.319	50	70		HIIAMM
O=C1C[C@@H](c2ccsc2)c2c(cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc2-3)O1	ZINC000217904543	568919124	/nfs/dbraw/zinc/91/91/24/568919124.db2.gz	DMCUXZAQEDFNHP-AWEZNQCLSA-N	-1	1	406.415	4.374	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1ccc(O)cc1)CC(=O)O2	ZINC000217923800	568919912	/nfs/dbraw/zinc/91/99/12/568919912.db2.gz	SGXPMELNLKOHJQ-INIZCTEOSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@H](c1cccc(O)c1)CC(=O)O2	ZINC000217720544	568907804	/nfs/dbraw/zinc/90/78/04/568907804.db2.gz	HJSSYVBAEAMBRQ-INIZCTEOSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@H](c1cccc(O)c1)CC(=O)O2	ZINC000217720544	568907807	/nfs/dbraw/zinc/90/78/07/568907807.db2.gz	HJSSYVBAEAMBRQ-INIZCTEOSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc(O)c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2	ZINC000217720631	568907764	/nfs/dbraw/zinc/90/77/64/568907764.db2.gz	HJSSYVBAEAMBRQ-MRXNPFEDSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1cccc(O)c1)CC(=O)O2	ZINC000217720631	568907767	/nfs/dbraw/zinc/90/77/67/568907767.db2.gz	HJSSYVBAEAMBRQ-MRXNPFEDSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=c1cc2c(c3oc(-c4ccc(O)cc4)cc([O-])c1-3)[C@@H](c1ccc(O)cc1)CC(=O)O2	ZINC000217923714	568919954	/nfs/dbraw/zinc/91/99/54/568919954.db2.gz	SGXPMELNLKOHJQ-MRXNPFEDSA-N	-1	1	416.385	4.018	50	70		HIIAMM
O=C1C[C@H](c2ccsc2)c2c(cc(=O)c3c([O-])cc(-c4ccc(O)cc4)oc2-3)O1	ZINC000217904607	568918998	/nfs/dbraw/zinc/91/89/98/568918998.db2.gz	DMCUXZAQEDFNHP-CQSZACIVSA-N	-1	1	406.415	4.374	50	70		HIIAMM
COC(=O)C[C@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccccc1	ZINC000217912232	568919542	/nfs/dbraw/zinc/91/95/42/568919542.db2.gz	XRCSMMGKXIHEGD-IBGZPJMESA-N	-1	1	420.509	4.092	50	70		HIIAMM
COC(=O)C[C@@H](c1c(Cc2ccc3c(c2)CCC(C)(C)O3)[n-][nH]c1=O)c1ccccc1	ZINC000217912174	568919576	/nfs/dbraw/zinc/91/95/76/568919576.db2.gz	XRCSMMGKXIHEGD-LJQANCHMSA-N	-1	1	420.509	4.092	50	70		HIIAMM
Cc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c([O-])cc(-c5ccc(O)cc5)oc-4c32)o1	ZINC000217753851	568910421	/nfs/dbraw/zinc/91/04/21/568910421.db2.gz	QKTJRTNWJYZTDF-AWEZNQCLSA-N	-1	1	404.374	4.214	50	70		HIIAMM