pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.3	OCHEM	0	-1	Nc1cc(N)cc(C(=O)O)c1,Nc1cc([NH3+])cc(C(=O)[O-])c1	Nc1cc(N)cc(C(=O)[O-])c1	mol22696	Nc1cc(N)cc(C(=O)O)c1
5.13000011444092	QSARToolbox	0	-1	Nc1cc(N)cc(C(=O)O)c1,Nc1cc([NH3+])cc(C(=O)[O-])c1	Nc1cc(N)cc(C(=O)[O-])c1	mol22696	Nc1cc(N)cc(C(=O)O)c1
5.13	AttenGpKa training set	0	-1	Nc1cc(N)cc(C(=O)O)c1,Nc1cc([NH3+])cc(C(=O)[O-])c1	Nc1cc(N)cc(C(=O)[O-])c1	mol22696	Nc1cc(N)cc(C(=O)O)c1