pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.63	IUPAC digitized pKa	0	-1	O=Cc1c[nH]nn1	O=Cc1c[n-]nn1	mol7654	O=Cc1c[nH]nn1
6.55	AttenGpKa training set	0	-1	O=Cc1c[nH]nn1	O=Cc1c[n-]nn1	mol7654	O=Cc1c[nH]nn1
-0.1	IUPAC digitized pKa	1	0	O=Cc1c[nH]n[nH+]1,O=Cc1c[nH][nH+]n1	O=Cc1c[nH]nn1	mol7654	O=Cc1c[nH]nn1