pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-0.9	IUPAC digitized pKa	1	0	CSc1ncc(Br)c[nH+]1	CSc1ncc(Br)cn1	mol7172	CSc1ncc(Br)cn1
-0.899999976158142	QSARToolbox	1	0	CSc1ncc(Br)c[nH+]1	CSc1ncc(Br)cn1	mol7172	CSc1ncc(Br)cn1