pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.66	Datawarrior	2	1	[NH3+]c1ccc([I+]c2ccccc2)cc1	Nc1ccc([I+]c2ccccc2)cc1	mol13417	Nc1ccc([I+]c2ccccc2)cc1
1.6599999666214	QSARToolbox	2	1	[NH3+]c1ccc([I+]c2ccccc2)cc1	Nc1ccc([I+]c2ccccc2)cc1	mol13417	Nc1ccc([I+]c2ccccc2)cc1