pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
7.41	IUPAC digitized pKa	0	-1	Oc1cccc2ncncc12	[O-]c1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
7.40999984741211	QSARToolbox	0	-1	Oc1cccc2ncncc12	[O-]c1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
7.39	AttenGpKa training set	0	-1	Oc1cccc2ncncc12	[O-]c1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
3.62	IUPAC digitized pKa	1	0	Oc1cccc2nc[nH+]cc12,Oc1cccc2[nH+]cncc12	Oc1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
3.61999988555908	QSARToolbox	1	0	Oc1cccc2nc[nH+]cc12,Oc1cccc2[nH+]cncc12	Oc1cccc2ncncc12	mol1428	Oc1cccc2ncncc12
3.64	AttenGpKa training set	1	0	Oc1cccc2nc[nH+]cc12,Oc1cccc2[nH+]cncc12	Oc1cccc2ncncc12	mol1428	Oc1cccc2ncncc12