pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.88	AttenGpKa training set	0	-1	O=C(O)C[C@H]1CC[C@H]2OC(=O)C[C@@H]12	O=C([O-])C[C@H]1CC[C@H]2OC(=O)C[C@@H]12	mol22412	O=C(O)C[C@H]1CC[C@H]2OC(=O)C[C@@H]12