pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.55	AttenGpKa training set	0	-1	COC(=O)[C@H](O)[C@@H](O)C(=O)O	COC(=O)[C@H](O)[C@@H](O)C(=O)[O-]	mol22555	COC(=O)C(O)C(O)C(=O)O