pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.15	IUPAC digitized pKa	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1	mol3638	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
6.98	OCHEM	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cn2)cc1	mol3638	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1
1.9	IUPAC digitized pKa	1	0	Nc1ccc(S(=O)(=O)Nc2ccc(Br)c[nH+]2)cc1,Nc1ccc(S(=O)(=O)[NH2+]c2ccc(Br)cn2)cc1,[NH3+]c1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1	mol3638	Nc1ccc(S(=O)(=O)Nc2ccc(Br)cn2)cc1