pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.1	AttenGpKa training set	0	-1	CC(C)C1C(=O)CCC1=O	CC(C)[C-]1C(=O)CCC1=O,CC(C)C1C(=O)[CH-]CC1=O	mol26810	CC(C)C1C(=O)CCC1=O