pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.63	IUPAC digitized pKa	0	-1	O=P(O)(O)C(Cl)(Cl)Cl	O=P([O-])(O)C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
1.62999999523163	QSARToolbox	0	-1	O=P(O)(O)C(Cl)(Cl)Cl	O=P([O-])(O)C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
4.28	IUPAC digitized pKa	-1	-2	O=P([O-])(O)C(Cl)(Cl)Cl	O=P([O-])([O-])C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
4.71	IUPAC digitized pKa	-1	-2	O=P([O-])(O)C(Cl)(Cl)Cl	O=P([O-])([O-])C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
4.80999994277954	QSARToolbox	-1	-2	O=P([O-])(O)C(Cl)(Cl)Cl	O=P([O-])([O-])C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
4.28000020980835	QSARToolbox	-1	-2	O=P([O-])(O)C(Cl)(Cl)Cl	O=P([O-])([O-])C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl
4.81	AttenGpKa training set	-1	-2	O=P([O-])(O)C(Cl)(Cl)Cl	O=P([O-])([O-])C(Cl)(Cl)Cl	mol8924	O=P(O)(O)C(Cl)(Cl)Cl