pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.39999961853027	QSARToolbox	1	0	COc1ccc(/[NH+]=C(\N)c2ccccc2)cc1	COc1ccc(/N=C(\N)c2ccccc2)cc1	mol28091	COc1ccc(/N=C(\N)c2ccccc2)cc1
9.55	AttenGpKa training set	1	0	COc1ccc(/[NH+]=C(\N)c2ccccc2)cc1	COc1ccc(/N=C(\N)c2ccccc2)cc1	mol28091	COc1ccc(/N=C(\N)c2ccccc2)cc1