pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.85	AttenGpKa training set	1	0	CC(C)([NH3+])[C@H](O)C1CCCC1	CC(C)(N)[C@H](O)C1CCCC1	mol24567	CC(C)(N)C(O)C1CCCC1