pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.95	IUPAC digitized pKa	0	-1	O=S(=O)(NBr)c1ccccc1	O=S(=O)([N-]Br)c1ccccc1	mol9935	O=S(=O)(NBr)c1ccccc1
4.9499998	OCHEM	0	-1	O=S(=O)(NBr)c1ccccc1	O=S(=O)([N-]Br)c1ccccc1	mol9935	O=S(=O)(NBr)c1ccccc1
4.94999980926514	QSARToolbox	0	-1	O=S(=O)(NBr)c1ccccc1	O=S(=O)([N-]Br)c1ccccc1	mol9935	O=S(=O)(NBr)c1ccccc1