pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.5	IUPAC digitized pKa	1	0	N#CCC[NH2+]c1ccccc1	N#CCCNc1ccccc1	mol6013	N#CCCNc1ccccc1