pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.41	IUPAC digitized pKa	1	0	CN([NH3+])c1ccc(C(=O)O)cc1,C[NH+](N)c1ccc(C(=O)O)cc1	CN(N)c1ccc(C(=O)O)cc1,C[NH+](N)c1ccc(C(=O)[O-])cc1,CN([NH3+])c1ccc(C(=O)[O-])cc1	mol8827	CN(N)c1ccc(C(=O)O)cc1
3.41000008583069	QSARToolbox	1	0	CN([NH3+])c1ccc(C(=O)O)cc1,C[NH+](N)c1ccc(C(=O)O)cc1	CN(N)c1ccc(C(=O)O)cc1,C[NH+](N)c1ccc(C(=O)[O-])cc1,CN([NH3+])c1ccc(C(=O)[O-])cc1	mol8827	CN(N)c1ccc(C(=O)O)cc1