pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.75	Datawarrior	0	-1	NC(=S)Nc1ccc([N+](=O)[O-])cc1	NC(=S)[N-]c1ccc([N+](=O)[O-])cc1,[NH-]C(=S)Nc1ccc([N+](=O)[O-])cc1	mol13965	NC(=S)Nc1ccc([N+](=O)[O-])cc1
10.8000001907349	QSARToolbox	0	-1	NC(=S)Nc1ccc([N+](=O)[O-])cc1	NC(=S)[N-]c1ccc([N+](=O)[O-])cc1,[NH-]C(=S)Nc1ccc([N+](=O)[O-])cc1	mol13965	NC(=S)Nc1ccc([N+](=O)[O-])cc1