pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.9	IUPAC digitized pKa	1	0	CC1(C)CC(=O)CC(C)(C)[NH2+]1	CC1(C)CC(=O)CC(C)(C)N1	mol234	CC1(C)CC(=O)CC(C)(C)N1
8.0	AttenGpKa training set	1	0	CC1(C)CC(=O)CC(C)(C)[NH2+]1	CC1(C)CC(=O)CC(C)(C)N1	mol234	CC1(C)CC(=O)CC(C)(C)N1