pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.4	IUPAC digitized pKa	1	0	N#C[C@@H]([NH3+])c1ccccc1	N#C[C@@H](N)c1ccccc1	mol6262	N#CC(N)c1ccccc1
4.4000001	OCHEM	1	0	N#C[C@@H]([NH3+])c1ccccc1	N#C[C@@H](N)c1ccccc1	mol6262	N#CC(N)c1ccccc1