pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.89999998	OCHEM	1	0	O=c1[nH]c(O)c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	O=c1[n-]c(O)c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,O=c1[nH]c([O-])c(Br)c[n+]1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	mol32461	O=c1[nH]c(O)c(Br)c[n+]1C1OC(CO)C(O)C1O