pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.89	Datawarrior	0	-1	CC(=S)Nc1ccc([N+](=O)[O-])cc1	CC(=S)[N-]c1ccc([N+](=O)[O-])cc1	mol13885	CC(=S)Nc1ccc([N+](=O)[O-])cc1
9.8900003	OCHEM	0	-1	CC(=S)Nc1ccc([N+](=O)[O-])cc1	CC(=S)[N-]c1ccc([N+](=O)[O-])cc1	mol13885	CC(=S)Nc1ccc([N+](=O)[O-])cc1
9.89000034332275	QSARToolbox	0	-1	CC(=S)Nc1ccc([N+](=O)[O-])cc1	CC(=S)[N-]c1ccc([N+](=O)[O-])cc1	mol13885	CC(=S)Nc1ccc([N+](=O)[O-])cc1