pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	AttenGpKa training set	1	0	BrCC12CC[NH+](CC1)CC2	BrCC12CCN(CC1)CC2	mol24624	BrCC12CCN(CC1)CC2