pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.19999980926514	QSARToolbox	0	-1	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=N[C@@H]3SC(=S)N(Nc4ccccc4)C3=O)cc2)n1	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=N[c-]3sc(=S)n(Nc4ccccc4)c3=O)cc2)n1,Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N=N[C@@H]3SC(=S)N(Nc4ccccc4)C3=O)cc2)n1,Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3SC(=S)N([N-]c4ccccc4)C3=O)cc2)n1	mol35347	Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=NC3SC(=S)N(Nc4ccccc4)C3=O)cc2)n1