pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
5.21	Datawarrior	0	-1	C[C@H](C(N)=O)S(=O)(=O)NC(N)=O	C[C@H](C(N)=O)S(=O)(=O)[N-]C(N)=O	mol12899	CC(C(N)=O)S(=O)(=O)NC(N)=O
5.21000003814697	QSARToolbox	0	-1	C[C@H](C(N)=O)S(=O)(=O)NC(N)=O	C[C@H](C(N)=O)S(=O)(=O)[N-]C(N)=O	mol12899	CC(C(N)=O)S(=O)(=O)NC(N)=O