pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.5	Novartis	0	-1	O=C(O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12	O=C([O-])CSc1ncnc2cc(-c3ccc(Br)cc3)sc12	mol2995	O=C(O)CSc1ncnc2cc(-c3ccc(Br)cc3)sc12