pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.6	Hunt	2	1	Cn1c([S@@+]([O-])Cc2cccc[nH+]2)[nH+]c2ccccc21	Cn1c([S@@+]([O-])Cc2cccc[nH+]2)nc2ccccc21,Cn1c([S@@+]([O-])Cc2ccccn2)[nH+]c2ccccc21	mol642	Cn1c([S@@+]([O-])Cc2ccccn2)nc2ccccc21