pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.73	IUPAC digitized pKa	1	0	O=[N+]([O-])c1cccc2[nH+]cncc12,O=[N+]([O-])c1cccc2nc[nH+]cc12	O=[N+]([O-])c1cccc2ncncc12	mol4647	O=[N+]([O-])c1cccc2ncncc12
3.73000001907349	QSARToolbox	1	0	O=[N+]([O-])c1cccc2[nH+]cncc12,O=[N+]([O-])c1cccc2nc[nH+]cc12	O=[N+]([O-])c1cccc2ncncc12	mol4647	O=[N+]([O-])c1cccc2ncncc12
3.75	AttenGpKa training set	1	0	O=[N+]([O-])c1cccc2[nH+]cncc12,O=[N+]([O-])c1cccc2nc[nH+]cc12	O=[N+]([O-])c1cccc2ncncc12	mol4647	O=[N+]([O-])c1cccc2ncncc12