pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.36999988555908	QSARToolbox	-1	-2	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)[O-]	mol22601	O=C(O)[C@H]1CCCCCC[C@@H]1C(=O)O
6.24	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)[O-]	mol22601	O=C(O)[C@H]1CCCCCC[C@@H]1C(=O)O
4.37	AttenGpKa training set	-1	-2	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)O	O=C([O-])[C@H]1CCCCCC[C@@H]1C(=O)[O-]	mol22601	O=C(O)[C@H]1CCCCCC[C@@H]1C(=O)O