pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.3	Datawarrior	0	-1	O=C(NBr)c1ccccc1	O=C([N-]Br)c1ccccc1	mol13076	O=C(NBr)c1ccccc1
7.3000002	OCHEM	0	-1	O=C(NBr)c1ccccc1	O=C([N-]Br)c1ccccc1	mol13076	O=C(NBr)c1ccccc1
7.30000019073486	QSARToolbox	0	-1	O=C(NBr)c1ccccc1	O=C([N-]Br)c1ccccc1	mol13076	O=C(NBr)c1ccccc1