pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.48	Datawarrior	0	-1	O=C1CCC(=O)C1=O	O=C1[CH-]CC(=O)C1=O	mol12345	O=C1CCC(=O)C1=O
8.4799995	OCHEM	0	-1	O=C1CCC(=O)C1=O	O=C1[CH-]CC(=O)C1=O	mol12345	O=C1CCC(=O)C1=O