pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.80000019073486	QSARToolbox	0	-1	O=C(/C=N/O)c1ccncc1	O=C(/C=N/[O-])c1ccncc1	mol31539	O=C(/C=N/O)c1ccncc1
7.8	AttenGpKa training set	0	-1	O=C(/C=N/O)c1ccncc1	O=C(/C=N/[O-])c1ccncc1	mol31539	O=C(/C=N/O)c1ccncc1