pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.26	IUPAC digitized pKa	0	-1	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl	O=P([O-])(O)COc1cc(Cl)c(Cl)cc1Cl	mol10321	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl
1.25999999046326	QSARToolbox	0	-1	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl	O=P([O-])(O)COc1cc(Cl)c(Cl)cc1Cl	mol10321	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl
6.59	IUPAC digitized pKa	-1	-2	O=P([O-])(O)COc1cc(Cl)c(Cl)cc1Cl	O=P([O-])([O-])COc1cc(Cl)c(Cl)cc1Cl	mol10321	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl
6.56	IUPAC digitized pKa	-1	-2	O=P([O-])(O)COc1cc(Cl)c(Cl)cc1Cl	O=P([O-])([O-])COc1cc(Cl)c(Cl)cc1Cl	mol10321	O=P(O)(O)COc1cc(Cl)c(Cl)cc1Cl