pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.6	IUPAC digitized pKa	0	-1	N#CCC[NH2+][C@@H](CC(=O)[O-])c1ccccc1	N#CCCN[C@@H](CC(=O)[O-])c1ccccc1	mol8568	N#CCCNC(CC(=O)O)c1ccccc1