pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.44	AttenGpKa training set	1	0	Nc1ccn(-c2cccc(Cl)c2)[nH+]1,[NH3+]c1ccn(-c2cccc(Cl)c2)n1	Nc1ccn(-c2cccc(Cl)c2)n1	mol25488	Nc1ccn(-c2cccc(Cl)c2)n1