pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.839	IUPAC digitized pKa	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN
9.461	IUPAC digitized pKa	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN
9.091	IUPAC digitized pKa	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN
9.838	OCHEM	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN
9.71	AttenGpKa training set	1	0	COC(=O)CCC[NH3+]	COC(=O)CCCN	mol2544	COC(=O)CCCN