pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.44	OCHEM	1	0	[NH3+]c1cc(Br)ccc1Br	Nc1cc(Br)ccc1Br	mol1664	Nc1cc(Br)ccc1Br
1.44000005722046	QSARToolbox	1	0	[NH3+]c1cc(Br)ccc1Br	Nc1cc(Br)ccc1Br	mol1664	Nc1cc(Br)ccc1Br