pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.52	AttenGpKa training set	0	-1	O=P(O)(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O	O=P([O-])(O)OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P([O-])(O)OC[C@]1(O)O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O	mol29059	O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O
6.31	AttenGpKa training set	-2	-3	O=P([O-])([O-])OC[C@]1(O)O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O,O=P([O-])(O)OC[C@@H]1O[C@@](O)(COP(=O)([O-])O)[C@@H](O)[C@@H]1O	O=P([O-])([O-])OC[C@@H]1O[C@@](O)(COP(=O)([O-])O)[C@@H](O)[C@@H]1O,O=P([O-])([O-])OC[C@]1(O)O[C@@H](COP(=O)([O-])O)[C@@H](O)[C@@H]1O	mol29059	O=P(O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O