pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.65	IUPAC digitized pKa	0	-1	O=P(O)(O)Oc1ccc(Cl)cc1Cl	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl
0.649999976158142	QSARToolbox	0	-1	O=P(O)(O)Oc1ccc(Cl)cc1Cl	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl
0.57	AttenGpKa training set	0	-1	O=P(O)(O)Oc1ccc(Cl)cc1Cl	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl
5.76	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	O=P([O-])([O-])Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl
5.68	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	O=P([O-])([O-])Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl
5.76000022888184	QSARToolbox	-1	-2	O=P([O-])(O)Oc1ccc(Cl)cc1Cl	O=P([O-])([O-])Oc1ccc(Cl)cc1Cl	mol9879	O=P(O)(O)Oc1ccc(Cl)cc1Cl