pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.9	IUPAC digitized pKa	1	0	CN([NH3+])c1cccc(C(=O)O)c1,C[NH+](N)c1cccc(C(=O)O)c1	CN([NH3+])c1cccc(C(=O)[O-])c1,CN(N)c1cccc(C(=O)O)c1,C[NH+](N)c1cccc(C(=O)[O-])c1	mol8826	CN(N)c1cccc(C(=O)O)c1
2.90000009536743	QSARToolbox	1	0	CN([NH3+])c1cccc(C(=O)O)c1,C[NH+](N)c1cccc(C(=O)O)c1	CN([NH3+])c1cccc(C(=O)[O-])c1,CN(N)c1cccc(C(=O)O)c1,C[NH+](N)c1cccc(C(=O)[O-])c1	mol8826	CN(N)c1cccc(C(=O)O)c1