pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.53	IUPAC digitized pKa	1	0	NC(=O)c1ncc2ccccc2[nH+]1,NC(=O)c1nc2ccccc2c[nH+]1	NC(=O)c1ncc2ccccc2n1	mol7846	NC(=O)c1ncc2ccccc2n1
0.529999971389771	QSARToolbox	1	0	NC(=O)c1ncc2ccccc2[nH+]1,NC(=O)c1nc2ccccc2c[nH+]1	NC(=O)c1ncc2ccccc2n1	mol7846	NC(=O)c1ncc2ccccc2n1