pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.47	AttenGpKa training set	1	0	BrC12CC[NH+](CC1)CC2	BrC12CCN(CC1)CC2	mol24607	BrC12CCN(CC1)CC2