pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.55	Datawarrior	0	-1	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1	O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1	mol14869	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1
3.35999989509583	QSARToolbox	0	-1	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1	O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1	mol14869	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1
3.44000005722046	QSARToolbox	0	-1	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1	O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1	mol14869	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1
9.65	Datawarrior	-1	-2	O=C([O-])CNC(=O)CNS(=O)(=O)c1ccccc1	O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccccc1	mol14869	O=C(O)CNC(=O)CNS(=O)(=O)c1ccccc1