pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.5	QSARToolbox	1	0	N/C(=[NH+]\c1ccc(Cl)cc1)c1ccccc1	N/C(=N\c1ccc(Cl)cc1)c1ccccc1	mol28094	N/C(=N\c1ccc(Cl)cc1)c1ccccc1
8.8	AttenGpKa training set	1	0	N/C(=[NH+]\c1ccc(Cl)cc1)c1ccccc1	N/C(=N\c1ccc(Cl)cc1)c1ccccc1	mol28094	N/C(=N\c1ccc(Cl)cc1)c1ccccc1