pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.1	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.99	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.89	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.67	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.48	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.29	IUPAC digitized pKa	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO
8.77	AttenGpKa training set	1	0	CCCC[NH+](CCO)CCO	CCCCN(CCO)CCO	mol5896	CCCCN(CCO)CCO