pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.72000002861023	QSARToolbox	0	-1	CCC(=O)NCC(=O)O	CCC(=O)NCC(=O)[O-]	mol29414	CCC(=O)NCC(=O)O
3.72	AttenGpKa training set	0	-1	CCC(=O)NCC(=O)O	CCC(=O)NCC(=O)[O-]	mol29414	CCC(=O)NCC(=O)O