smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C[C@@H](C(=O)[O-])[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013524677	560218547	/nfs/dbraw/zinc/21/85/47/560218547.db2.gz	KYSQDMNDMYECNZ-HULYABFWSA-N	-3	0	354.267	0.283	1	10	in-vitro	FCCFRL
O=C([O-])[C@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c(OS(=O)(=O)[O-])c3c21	ZINC000100775230	571820231	/nfs/dbraw/zinc/82/02/31/571820231.db2.gz	FOTVSXFSPLKLQZ-VKHMYHEASA-N	-3	0	372.263	0.140	1	10	endogenous,in-man	FCCFRL
O=C([O-])C[C@H](C(=O)[O-])[C@@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000013524670	560218543	/nfs/dbraw/zinc/21/85/43/560218543.db2.gz	KYSQDMNDMYECNZ-VUNTXPKCSA-N	-3	0	354.267	0.283	1	10	in-vitro	FCCFRL
Nc1[nH][n-]c(=O)c1N=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000100789915	209216916	/nfs/dbraw/zinc/21/69/16/209216916.db2.gz	BPVQLIWDRZKNJN-FZQCLQRZSA-N	-2	0	365.400	0.798	1	10		FCCFRL
O=C([O-])[C@@H]1CC(=O)c2oc(=O)c3cc([O-])c(O)c(OS(=O)(=O)[O-])c3c21	ZINC000013379156	211032315	/nfs/dbraw/zinc/03/23/15/211032315.db2.gz	FOTVSXFSPLKLQZ-GSVOUGTGSA-N	-3	0	372.263	0.140	1	10	endogenous,in-man	FCCFRL
Cc1cn([C@H]2C[C@H](CN=[N+]=[N-])[C@@H](COP(=O)([O-])[O-])O2)c(=O)[nH]c1=O	ZINC000013525781	220070938	/nfs/dbraw/zinc/07/09/38/220070938.db2.gz	RBJFKTLXEOJJBT-IWSPIJDZSA-N	-2	0	361.251	0.168	1	10		FCCFRL
O=C([O-])C[C@H](C(=O)[O-])[C@H](OC(=O)/C=C\c1ccc(O)c(O)c1)C(=O)[O-]	ZINC000004095959	560193743	/nfs/dbraw/zinc/19/37/43/560193743.db2.gz	KYSQDMNDMYECNZ-KBDQIHJBSA-N	-3	0	354.267	0.283	1	10	in-vitro	FCCFRL