pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.23000001907349	QSARToolbox	1	0	C[n+]1ccc(/C(O)=C/C(N)=O)cc1	C[n+]1ccc(/C([O-])=C/C(N)=O)cc1	mol31196	C[n+]1ccc(/C(O)=C/C(N)=O)cc1
5.23	AttenGpKa training set	1	0	C[n+]1ccc(/C(O)=C/C(N)=O)cc1	C[n+]1ccc(/C([O-])=C/C(N)=O)cc1	mol31196	C[n+]1ccc(/C(O)=C/C(N)=O)cc1