pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.7	Datawarrior	0	-1	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	mol15209	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
6.75	OCHEM	0	-1	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	mol15209	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
6.6999998	OCHEM	0	-1	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	mol15209	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
6.84999990463257	QSARToolbox	0	-1	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	mol15209	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O
9.5	Datawarrior	-1	-2	NS(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	[NH-]S(=O)(=O)c1cc2c(cc1Cl)N=C[N-]S2(=O)=O	mol15209	NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O