pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.1	IUPAC digitized pKa	1	0	[NH3+]c1cccc2cc3ccccc3cc12	Nc1cccc2cc3ccccc3cc12	mol1106	Nc1cccc2cc3ccccc3cc12
4.09999990463257	QSARToolbox	1	0	[NH3+]c1cccc2cc3ccccc3cc12	Nc1cccc2cc3ccccc3cc12	mol1106	Nc1cccc2cc3ccccc3cc12