pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.88	IUPAC digitized pKa	0	-1	O=C(O)c1ccc(OP(=O)(O)O)cc1	O=C(O)c1ccc(OP(=O)([O-])O)cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1
1.01	AttenGpKa training set	0	-1	O=C(O)c1ccc(OP(=O)(O)O)cc1	O=C(O)c1ccc(OP(=O)([O-])O)cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1
4.2	IUPAC digitized pKa	-1	-2	O=C(O)c1ccc(OP(=O)([O-])O)cc1	O=C([O-])c1ccc(OP(=O)([O-])O)cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1
4.05	AttenGpKa training set	-1	-2	O=C(O)c1ccc(OP(=O)([O-])O)cc1	O=C([O-])c1ccc(OP(=O)([O-])O)cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1
5.9	IUPAC digitized pKa	-2	-3	O=C([O-])c1ccc(OP(=O)([O-])O)cc1	O=C([O-])c1ccc(OP(=O)([O-])[O-])cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1
6.15	AttenGpKa training set	-2	-3	O=C([O-])c1ccc(OP(=O)([O-])O)cc1	O=C([O-])c1ccc(OP(=O)([O-])[O-])cc1	mol10172	O=C(O)c1ccc(OP(=O)(O)O)cc1