pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	Datawarrior	0	-1	O=C1CCC(=O)C1	O=C1[CH-]C(=O)CC1	mol16005	O=C1CCC(=O)C1
4.36	AttenGpKa training set	0	-1	O=C1CCC(=O)C1	O=C1[CH-]C(=O)CC1	mol16005	O=C1CCC(=O)C1