pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.2	AttenGpKa training set	1	0	C[NH+]1[C@@H]2C[C@@H]3C[C@H]1[C@H](O)[C@H]2O3	CN1[C@@H]2C[C@@H]3C[C@H]1[C@H](O)[C@H]2O3	mol29514	CN1[C@@H]2C[C@@H]3C[C@H]1[C@H](O)[C@H]2O3