pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.82	Datawarrior	0	-1	O=C(O)[C@@H]1C[C@@H]1c1ccccc1	O=C([O-])[C@@H]1C[C@@H]1c1ccccc1	mol12719	O=C(O)[C@@H]1C[C@@H]1c1ccccc1
4.82000017166138	QSARToolbox	0	-1	O=C(O)[C@@H]1C[C@@H]1c1ccccc1	O=C([O-])[C@@H]1C[C@@H]1c1ccccc1	mol12719	O=C(O)[C@@H]1C[C@@H]1c1ccccc1
4.95	AttenGpKa training set	0	-1	O=C(O)[C@@H]1C[C@@H]1c1ccccc1	O=C([O-])[C@@H]1C[C@@H]1c1ccccc1	mol12719	O=C(O)[C@@H]1C[C@@H]1c1ccccc1