pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.6999998092651	QSARToolbox	0	-1	O=[N+]([O-])c1ccc([C@@H](O)C(Br)(Br)Br)cc1	O=[N+]([O-])c1ccc([C@@H]([O-])C(Br)(Br)Br)cc1	mol34139	O=[N+]([O-])c1ccc(C(O)C(Br)(Br)Br)cc1