pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.714	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
10.4	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
10.102	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.822	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.557	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.306	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.067	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.85	IUPAC digitized pKa	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO
9.52	AttenGpKa training set	1	0	CC[NH2+]CCO	CCNCCO	mol5846	CCNCCO