pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.3	AttenGpKa training set	1	0	OC[C@H]1[NH2+]C[C@H](O)[C@@H](O)[C@@H]1O	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O	mol30256	OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O