pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.04	AttenGpKa training set	1	0	[NH3+]c1ccc2c(ccc3ccccc32)c1	Nc1ccc2c(ccc3ccccc32)c1	mol23859	Nc1ccc2c(ccc3ccccc32)c1