pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.46	IUPAC digitized pKa	0	-1	O=P(O)(O)Oc1ccccc1	O=P([O-])(O)Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
1.0	IUPAC digitized pKa	0	-1	O=P(O)(O)Oc1ccccc1	O=P([O-])(O)Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
1.23	AttenGpKa training set	0	-1	O=P(O)(O)Oc1ccccc1	O=P([O-])(O)Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
6.28	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
6.29	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
5.88	IUPAC digitized pKa	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
6.2	OCHEM	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
5.88000011444092	QSARToolbox	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1
5.966666667	AttenGpKa training set	-1	-2	O=P([O-])(O)Oc1ccccc1	O=P([O-])([O-])Oc1ccccc1	mol9742	O=P(O)(O)Oc1ccccc1