pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.91	AttenGpKa training set	1	0	C[C@H]1CC[NH+]2CC[C@@H](O)[C@@H]12	C[C@H]1CCN2CC[C@@H](O)[C@@H]12	mol30245	CC1CCN2CC[C@@H](O)[C@@H]12