pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.37	AttenGpKa training set	0	-1	CCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O	CCC(CC)C(=O)O[C@@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O	mol29782	CCC(CC)C(=O)OC1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O