pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.42	AttenGpKa training set	0	-1	O=C(O)[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	O=C([O-])[C@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O	mol29716	O=C(O)[C@H]1OC(Oc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O