pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
11.1	Datawarrior	0	-1	NC(=S)Nc1cccc([N+](=O)[O-])c1	NC(=S)[N-]c1cccc([N+](=O)[O-])c1,[NH-]C(=S)Nc1cccc([N+](=O)[O-])c1	mol13966	NC(=S)Nc1cccc([N+](=O)[O-])c1
11.1000003814697	QSARToolbox	0	-1	NC(=S)Nc1cccc([N+](=O)[O-])c1	NC(=S)[N-]c1cccc([N+](=O)[O-])c1,[NH-]C(=S)Nc1cccc([N+](=O)[O-])c1	mol13966	NC(=S)Nc1cccc([N+](=O)[O-])c1