pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.2	AttenGpKa training set	1	0	[NH3+]c1c2ccccc2nc2c(-c3ccccc3)cccc12,Nc1c2ccccc2[nH+]c2c(-c3ccccc3)cccc12	Nc1c2ccccc2nc2c(-c3ccccc3)cccc12	mol26724	Nc1c2ccccc2nc2c(-c3ccccc3)cccc12