pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.65	IUPAC digitized pKa	0	-1	Sc1ncncc1Br	[S-]c1ncncc1Br	mol7168	Sc1ncncc1Br
5.65000009536743	QSARToolbox	0	-1	Sc1ncncc1Br	[S-]c1ncncc1Br	mol7168	Sc1ncncc1Br
-0.46	IUPAC digitized pKa	1	0	Sc1nc[nH+]cc1Br,Sc1[nH+]cncc1Br	Sc1ncncc1Br	mol7168	Sc1ncncc1Br
-0.46000000834465	QSARToolbox	1	0	Sc1nc[nH+]cc1Br,Sc1[nH+]cncc1Br	Sc1ncncc1Br	mol7168	Sc1ncncc1Br