pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.0	AttenGpKa training set	1	0	CC(=O)OC12CC[NH+](CC1)CC2	CC(=O)OC12CCN(CC1)CC2	mol24580	CC(=O)OC12CCN(CC1)CC2