pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.02	AttenGpKa training set	0	-1	O=C(O)/C=N/O	O=C([O-])/C=N/O	mol15903	O=C(O)/C=N/O
10.23	Datawarrior	-1	-2	O=C([O-])/C=N/O	O=C([O-])/C=N/[O-]	mol15903	O=C(O)/C=N/O
10.2299995422363	QSARToolbox	-1	-2	O=C([O-])/C=N/O	O=C([O-])/C=N/[O-]	mol15903	O=C(O)/C=N/O