pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.9	Datawarrior	0	-1	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1	CNC(=[N-])CCNS(=O)(=O)c1ccc(C)cc1,CNC(=N)CC[N-]S(=O)(=O)c1ccc(C)cc1	mol15268	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1
10.02	Datawarrior	1	0	CNC(=[NH2+])CCNS(=O)(=O)c1ccc(C)cc1	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1	mol15268	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1
10.0200004577637	QSARToolbox	1	0	CNC(=[NH2+])CCNS(=O)(=O)c1ccc(C)cc1	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1	mol15268	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1
10.2	AttenGpKa training set	1	0	CNC(=[NH2+])CCNS(=O)(=O)c1ccc(C)cc1	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1	mol15268	CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1