pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.13	IUPAC digitized pKa	0	-1	N#CCC[NH+](CCC#N)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	N#CCCN(CCC#N)[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	mol8592	N#CCCN(CCC#N)[C@@H](Cc1ccc(O)cc1)C(=O)O