pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.87000000476837	QSARToolbox	1	0	CN1C(=O)C[NH+]=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21	CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21	mol29837	CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21
1.8	AttenGpKa training set	1	0	CN1C(=O)C[NH+]=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21	CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21	mol29837	CN1C(=O)CN=C(c2ccccc2F)c2cc([N+](=O)[O-])ccc21