pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.92	Datawarrior	0	-1	CC(C)(C(N)=O)S(N)(=O)=O	CC(C)(C(N)=O)S([NH-])(=O)=O	mol13114	CC(C)(C(N)=O)S(N)(=O)=O
9.9200001	OCHEM	0	-1	CC(C)(C(N)=O)S(N)(=O)=O	CC(C)(C(N)=O)S([NH-])(=O)=O	mol13114	CC(C)(C(N)=O)S(N)(=O)=O
9.92000007629395	QSARToolbox	0	-1	CC(C)(C(N)=O)S(N)(=O)=O	CC(C)(C(N)=O)S([NH-])(=O)=O	mol13114	CC(C)(C(N)=O)S(N)(=O)=O
