pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.53	OCHEM	1	0	C[n+]1cccc(/C=N/O)c1	C[n+]1cccc(/C=N/[O-])c1	mol18820	C[n+]1cccc(/C=N/O)c1
9.19999980926514	QSARToolbox	1	0	C[n+]1cccc(/C=N/O)c1	C[n+]1cccc(/C=N/[O-])c1	mol18820	C[n+]1cccc(/C=N/O)c1
9.10000038146973	QSARToolbox	1	0	C[n+]1cccc(/C=N/O)c1	C[n+]1cccc(/C=N/[O-])c1	mol18820	C[n+]1cccc(/C=N/O)c1
9.3	AttenGpKa training set	1	0	C[n+]1cccc(/C=N/O)c1	C[n+]1cccc(/C=N/[O-])c1	mol18820	C[n+]1cccc(/C=N/O)c1