pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.45	OCHEM	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1
4.21999979019165	QSARToolbox	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1
4.44999980926514	QSARToolbox	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1
4.34000015258789	QSARToolbox	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1
4.38000011444092	QSARToolbox	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1
4.36	AttenGpKa training set	0	-1	O=C(O)c1ccc[nH]1	O=C([O-])c1ccc[nH]1	mol3858	O=C(O)c1ccc[nH]1