pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.89	IUPAC digitized pKa	0	-1	CCCCC(CCCC)(C(=O)O)C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)O	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
2.01	IUPAC digitized pKa	0	-1	CCCCC(CCCC)(C(=O)O)C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)O	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
2.16	IUPAC digitized pKa	0	-1	CCCCC(CCCC)(C(=O)O)C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)O	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
2.64	IUPAC digitized pKa	0	-1	CCCCC(CCCC)(C(=O)O)C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)O	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
2.00999999046326	QSARToolbox	0	-1	CCCCC(CCCC)(C(=O)O)C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)O	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
7.19	IUPAC digitized pKa	-1	-2	CCCCC(CCCC)(C(=O)[O-])C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
7.21	IUPAC digitized pKa	-1	-2	CCCCC(CCCC)(C(=O)[O-])C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
7.36	IUPAC digitized pKa	-1	-2	CCCCC(CCCC)(C(=O)[O-])C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
7.7	IUPAC digitized pKa	-1	-2	CCCCC(CCCC)(C(=O)[O-])C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O
8.23	IUPAC digitized pKa	-1	-2	CCCCC(CCCC)(C(=O)[O-])C(=O)O	CCCCC(CCCC)(C(=O)[O-])C(=O)[O-]	mol11538	CCCCC(CCCC)(C(=O)O)C(=O)O