pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.38	IUPAC digitized pKa	0	-1	CCCO[P@](C)(=O)O	CCCO[P@](C)(=O)[O-]	mol9248	CCCOP(C)(=O)O
2.22	AttenGpKa training set	0	-1	CCCO[P@](C)(=O)O	CCCO[P@](C)(=O)[O-]	mol9248	CCCOP(C)(=O)O