pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.93	IUPAC digitized pKa	0	-1	CCO[P@](=O)(O)COc1ccc(Cl)cc1	CCO[P@](=O)([O-])COc1ccc(Cl)cc1	mol11138	CCOP(=O)(O)COc1ccc(Cl)cc1
0.930000007152557	QSARToolbox	0	-1	CCO[P@](=O)(O)COc1ccc(Cl)cc1	CCO[P@](=O)([O-])COc1ccc(Cl)cc1	mol11138	CCOP(=O)(O)COc1ccc(Cl)cc1
0.91	AttenGpKa training set	0	-1	CCO[P@](=O)(O)COc1ccc(Cl)cc1	CCO[P@](=O)([O-])COc1ccc(Cl)cc1	mol11138	CCOP(=O)(O)COc1ccc(Cl)cc1