pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.12	IUPAC digitized pKa	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1	mol3637	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1
7.1199999	OCHEM	0	-1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1	Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)nc2)cc1	mol3637	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1
2.0	IUPAC digitized pKa	1	0	Nc1ccc(S(=O)(=O)[NH2+]c2ccc(Br)nc2)cc1,Nc1ccc(S(=O)(=O)Nc2ccc(Br)[nH+]c2)cc1,[NH3+]c1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1	mol3637	Nc1ccc(S(=O)(=O)Nc2ccc(Br)nc2)cc1