pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.73	IUPAC digitized pKa	0	-1	Sc1cc(Br)cc2cccnc12,[S-]c1cc(Br)cc2ccc[nH+]c12	[S-]c1cc(Br)cc2cccnc12	mol7723	Sc1cc(Br)cc2cccnc12
2.22	IUPAC digitized pKa	1	0	Sc1cc(Br)cc2ccc[nH+]c12	Sc1cc(Br)cc2cccnc12,[S-]c1cc(Br)cc2ccc[nH+]c12	mol7723	Sc1cc(Br)cc2cccnc12