pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96000003814697	QSARToolbox	-1	-2	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)O	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)[O-]	mol22575	CO[C@H](C(=O)O)[C@@H](OC)C(=O)O
2.96	AttenGpKa training set	-1	-2	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)O	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)[O-]	mol22575	CO[C@H](C(=O)O)[C@@H](OC)C(=O)O
4.26	AttenGpKa training set	-1	-2	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)O	CO[C@H](C(=O)[O-])[C@@H](OC)C(=O)[O-]	mol22575	CO[C@H](C(=O)O)[C@@H](OC)C(=O)O