pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.96	AttenGpKa training set	1	0	Nn1c[nH+]c2cnnc-2c1,Nn1cnc2c[nH+]nc-2c1,Nn1cnc2cn[nH+]c-2c1,[NH3+]n1cnc2cnnc-2c1	Nn1cnc2cnnc-2c1	mol26362	Nn1cnc2cnnc-2c1