pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.2	IUPAC digitized pKa	0	-1	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	O=P([O-])(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	mol11764	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
3.89000010490417	QSARToolbox	0	-1	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	O=P([O-])(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	mol11764	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
-0.12	AttenGpKa training set	0	-1	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	O=P([O-])(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1	mol11764	O=P(O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1