pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.96000003814697	QSARToolbox	1	0	FC(F)(F)c1ccc2nc[nH+]cc2c1,FC(F)(F)c1ccc2[nH+]cncc2c1	FC(F)(F)c1ccc2ncncc2c1	mol7926	FC(F)(F)c1ccc2ncncc2c1
3.96	AttenGpKa training set	1	0	FC(F)(F)c1ccc2nc[nH+]cc2c1,FC(F)(F)c1ccc2[nH+]cncc2c1	FC(F)(F)c1ccc2ncncc2c1	mol7926	FC(F)(F)c1ccc2ncncc2c1