pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.81	AttenGpKa training set	1	0	CO[C@]1(c2cccs2)C[C@@H]2CC[C@H]1[NH2+]2	CO[C@]1(c2cccs2)C[C@@H]2CC[C@H]1N2	mol24632	COC1(c2cccs2)CC2CCC1N2