pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.05	AttenGpKa training set	0	-1	COC(=O)c1ccccc1O[P@](=O)(O)O[P@](=O)(O)Oc1ccccc1C(=O)OC	COC(=O)c1ccccc1O[P@](=O)([O-])O[P@](=O)(O)Oc1ccccc1C(=O)OC	mol29065	COC(=O)c1ccccc1OP(=O)(O)OP(=O)(O)Oc1ccccc1C(=O)OC