pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.85	IUPAC digitized pKa	1	0	C[C@@H]([NH3+])CC#N	C[C@@H](N)CC#N	mol5865	CC(N)CC#N
7.8499999	OCHEM	1	0	C[C@@H]([NH3+])CC#N	C[C@@H](N)CC#N	mol5865	CC(N)CC#N
7.84999990463257	QSARToolbox	1	0	C[C@@H]([NH3+])CC#N	C[C@@H](N)CC#N	mol5865	CC(N)CC#N