pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.55000019073486	QSARToolbox	0	-1	NC(=O)/C(=N/O)c1ccccc1	NC(=O)/C(=N/[O-])c1ccccc1	mol31563	NC(=O)/C(=N/O)c1ccccc1
9.55	AttenGpKa training set	0	-1	NC(=O)/C(=N/O)c1ccccc1	NC(=O)/C(=N/[O-])c1ccccc1	mol31563	NC(=O)/C(=N/O)c1ccccc1