pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.25	IUPAC digitized pKa	1	0	CSc1ccc(Br)c2ccc[nH+]c12	CSc1ccc(Br)c2cccnc12	mol7725	CSc1ccc(Br)c2cccnc12