pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55	IUPAC digitized pKa	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC
9.83	IUPAC digitized pKa	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC
9.82	Datawarrior	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC
9.8199997	OCHEM	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC
10.0205001831055	QSARToolbox	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC
9.82999992370606	QSARToolbox	0	-1	CCC(=O)CC(=O)CC	CCC(=O)[CH-]C(=O)CC	mol9999	CCC(=O)CC(=O)CC