pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
10.1	Datawarrior	0	-1	NC(=O)C(=NO)c1ccccc1	NC(=O)C(=N[O-])c1ccccc1	mol12587	NC(=O)C(=NO)c1ccccc1
9.55	Datawarrior	0	-1	NC(=O)C(=NO)c1ccccc1	NC(=O)C(=N[O-])c1ccccc1	mol12587	NC(=O)C(=NO)c1ccccc1
9.8249998	OCHEM	0	-1	NC(=O)C(=NO)c1ccccc1	NC(=O)C(=N[O-])c1ccccc1	mol12587	NC(=O)C(=NO)c1ccccc1