pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.5	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(Br)cc1C(=O)O	O=C([O-])c1cc(Br)ccc1C(=O)O,O=C([O-])c1ccc(Br)cc1C(=O)O	mol10490	O=C(O)c1ccc(Br)cc1C(=O)O
2.8	OCHEM	0	-1	O=C(O)c1ccc(Br)cc1C(=O)O	O=C([O-])c1cc(Br)ccc1C(=O)O,O=C([O-])c1ccc(Br)cc1C(=O)O	mol10490	O=C(O)c1ccc(Br)cc1C(=O)O
4.6	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc(Br)ccc1C(=O)O,O=C([O-])c1ccc(Br)cc1C(=O)O	O=C([O-])c1ccc(Br)cc1C(=O)[O-]	mol10490	O=C(O)c1ccc(Br)cc1C(=O)O
4.59999990463257	QSARToolbox	-1	-2	O=C([O-])c1cc(Br)ccc1C(=O)O,O=C([O-])c1ccc(Br)cc1C(=O)O	O=C([O-])c1ccc(Br)cc1C(=O)[O-]	mol10490	O=C(O)c1ccc(Br)cc1C(=O)O