pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	AttenGpKa training set	1	0	CC(=O)CC(C)(C)[NH2+]c1ccccc1,CC(=[OH+])CC(C)(C)Nc1ccccc1	CC(=O)CC(C)(C)Nc1ccccc1	mol29563	CC(=O)CC(C)(C)Nc1ccccc1