pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.62	IUPAC digitized pKa	1	0	C[NH+](N)c1ccc(Br)cc1,CN([NH3+])c1ccc(Br)cc1	CN(N)c1ccc(Br)cc1	mol8816	CN(N)c1ccc(Br)cc1
4.61999988555908	QSARToolbox	1	0	C[NH+](N)c1ccc(Br)cc1,CN([NH3+])c1ccc(Br)cc1	CN(N)c1ccc(Br)cc1	mol8816	CN(N)c1ccc(Br)cc1
