pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.27	IUPAC digitized pKa	0	-1	O=C(O)c1cccc(Br)c1C(=O)O	O=C(O)c1cccc(Br)c1C(=O)[O-],O=C([O-])c1cccc(Br)c1C(=O)O	mol10489	O=C(O)c1cccc(Br)c1C(=O)O
2.26999998092651	QSARToolbox	0	-1	O=C(O)c1cccc(Br)c1C(=O)O	O=C(O)c1cccc(Br)c1C(=O)[O-],O=C([O-])c1cccc(Br)c1C(=O)O	mol10489	O=C(O)c1cccc(Br)c1C(=O)O
4.35	IUPAC digitized pKa	-1	-2	O=C(O)c1cccc(Br)c1C(=O)[O-],O=C([O-])c1cccc(Br)c1C(=O)O	O=C([O-])c1cccc(Br)c1C(=O)[O-]	mol10489	O=C(O)c1cccc(Br)c1C(=O)O
4.34999990463257	QSARToolbox	-1	-2	O=C(O)c1cccc(Br)c1C(=O)[O-],O=C([O-])c1cccc(Br)c1C(=O)O	O=C([O-])c1cccc(Br)c1C(=O)[O-]	mol10489	O=C(O)c1cccc(Br)c1C(=O)O