pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
9.19	Datawarrior	0	-1	Oc1ccccc1/C=N/c1ncc2nc[nH]c2n1	[O-]c1ccccc1/C=N/c1ncc2nc[nH]c2n1,Oc1ccccc1/C=N/c1ncc2nc[n-]c2n1	mol14847	Oc1ccccc1/C=N/c1ncc2nc[nH]c2n1
3.38	Datawarrior	1	0	Oc1ccccc1/C=N/c1ncc2nc[nH]c2[nH+]1,Oc1ccccc1/C=[NH+]/c1ncc2nc[nH]c2n1,Oc1ccccc1/C=N/c1nc2[nH]cnc2c[nH+]1,Oc1ccccc1/C=N/c1ncc2[nH+]c[nH]c2n1	Oc1ccccc1/C=N/c1ncc2nc[nH]c2n1	mol14847	Oc1ccccc1/C=N/c1ncc2nc[nH]c2n1