pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.77	IUPAC digitized pKa	0	-1	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1	Nc1ccc(S(=O)(=O)[N-]c2nncs2)cc1	mol4255	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
2.15	IUPAC digitized pKa	1	0	Nc1ccc(S(=O)(=O)Nc2n[nH+]cs2)cc1,Nc1ccc(S(=O)(=O)Nc2[nH+]ncs2)cc1,Nc1ccc(S(=O)(=O)[NH2+]c2nncs2)cc1,[NH3+]c1ccc(S(=O)(=O)Nc2nncs2)cc1	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1	mol4255	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1
2.1500001	OCHEM	1	0	Nc1ccc(S(=O)(=O)Nc2n[nH+]cs2)cc1,Nc1ccc(S(=O)(=O)Nc2[nH+]ncs2)cc1,Nc1ccc(S(=O)(=O)[NH2+]c2nncs2)cc1,[NH3+]c1ccc(S(=O)(=O)Nc2nncs2)cc1	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1	mol4255	Nc1ccc(S(=O)(=O)Nc2nncs2)cc1