pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.23	Datawarrior	0	-1	O=C(O)[C@H](CO)c1ccccc1	O=C([O-])[C@H](CO)c1ccccc1	mol12544	O=C(O)C(CO)c1ccccc1
3.47000002861023	QSARToolbox	0	-1	O=C(O)[C@H](CO)c1ccccc1	O=C([O-])[C@H](CO)c1ccccc1	mol12544	O=C(O)C(CO)c1ccccc1
4.175	AttenGpKa training set	0	-1	O=C(O)[C@H](CO)c1ccccc1	O=C([O-])[C@H](CO)c1ccccc1	mol12544	O=C(O)C(CO)c1ccccc1