pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.46	IUPAC digitized pKa	0	-1	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O	O=C([O-])c1cc2ccccc2cc1OP(=O)(O)O,O=C(O)c1cc2ccccc2cc1OP(=O)([O-])O	mol11560	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O
1.46000003814697	QSARToolbox	0	-1	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O	O=C([O-])c1cc2ccccc2cc1OP(=O)(O)O,O=C(O)c1cc2ccccc2cc1OP(=O)([O-])O	mol11560	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O
3.7	IUPAC digitized pKa	-1	-2	O=C([O-])c1cc2ccccc2cc1OP(=O)(O)O,O=C(O)c1cc2ccccc2cc1OP(=O)([O-])O	O=C(O)c1cc2ccccc2cc1OP(=O)([O-])[O-],O=C([O-])c1cc2ccccc2cc1OP(=O)([O-])O	mol11560	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O
6.34	IUPAC digitized pKa	-2	-3	O=C(O)c1cc2ccccc2cc1OP(=O)([O-])[O-],O=C([O-])c1cc2ccccc2cc1OP(=O)([O-])O	O=C([O-])c1cc2ccccc2cc1OP(=O)([O-])[O-]	mol11560	O=C(O)c1cc2ccccc2cc1OP(=O)(O)O
