pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.19	AttenGpKa training set	1	0	C[n+]1cnc(O)c2ccccc21	C[n+]1cnc([O-])c2ccccc21	mol26191	C[n+]1cnc(O)c2ccccc21