pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.71	Datawarrior	2	1	[NH3+]CC[n+]1cc(Br)c2ccccc2c1	NCC[n+]1cc(Br)c2ccccc2c1	mol13381	NCC[n+]1cc(Br)c2ccccc2c1
6.71000003814697	QSARToolbox	2	1	[NH3+]CC[n+]1cc(Br)c2ccccc2c1	NCC[n+]1cc(Br)c2ccccc2c1	mol13381	NCC[n+]1cc(Br)c2ccccc2c1