pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.34	AttenGpKa training set	0	-1	O=C1C[C@@H]2[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]2O1	O=C1C[C@@H]2[C@@H](C(=O)O)[C@H](C(=O)[O-])C[C@@H]2O1,O=C1C[C@@H]2[C@@H](C(=O)[O-])[C@H](C(=O)O)C[C@@H]2O1	mol22614	O=C1C[C@@H]2[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]2O1
5.51	AttenGpKa training set	-1	-2	O=C1C[C@@H]2[C@@H](C(=O)O)[C@H](C(=O)[O-])C[C@@H]2O1,O=C1C[C@@H]2[C@@H](C(=O)[O-])[C@H](C(=O)O)C[C@@H]2O1	O=C1C[C@@H]2[C@@H](C(=O)[O-])[C@H](C(=O)[O-])C[C@@H]2O1	mol22614	O=C1C[C@@H]2[C@@H](C(=O)O)[C@H](C(=O)O)C[C@@H]2O1