pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.19	IUPAC digitized pKa	0	-1	CCC[NH2+]CC(=O)[O-]	CCCNCC(=O)[O-]	mol5384	CCCNCC(=O)O
10.03	IUPAC digitized pKa	0	-1	CCC[NH2+]CC(=O)[O-]	CCCNCC(=O)[O-]	mol5384	CCCNCC(=O)O
10.11	OCHEM	0	-1	CCC[NH2+]CC(=O)[O-]	CCCNCC(=O)[O-]	mol5384	CCCNCC(=O)O
10.1899995803833	QSARToolbox	0	-1	CCC[NH2+]CC(=O)[O-]	CCCNCC(=O)[O-]	mol5384	CCCNCC(=O)O
2.35	IUPAC digitized pKa	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O
2.28	IUPAC digitized pKa	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O
2.31	Datawarrior	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O
2.3099999	OCHEM	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O
2.34999990463257	QSARToolbox	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O
1.19000005722046	QSARToolbox	1	0	CCC[NH2+]CC(=O)O	CCC[NH2+]CC(=O)[O-]	mol5384	CCCNCC(=O)O