pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.38	AttenGpKa training set	0	-1	CC[P@@](=O)(O)O[C@@H](C)C(C)C	CC[P@@](=O)([O-])O[C@@H](C)C(C)C	mol28926	CCP(=O)(O)OC(C)C(C)C