pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.76	AttenGpKa training set	0	-1	CO[C@@H](C(=O)O)[C@@H](OC)C(=O)O	CO[C@@H](C(=O)[O-])[C@@H](OC)C(=O)O	mol22574	COC(C(=O)O)C(OC)C(=O)O
4.7	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-]	mol22574	COC(C(=O)O)C(OC)C(=O)O