pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.55	Novartis	1	0	Brc1ccc([C@@H]2CN3C=CSC3=[NH+]2)cc1	Brc1ccc([C@@H]2CN3C=CSC3=N2)cc1	mol2761	Brc1ccc(C2CN3C=CSC3=N2)cc1