pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
0.79	IUPAC digitized pKa	1	0	O=c1cnc2c[nH+]cnc2n1Cc1ccccc1,O=c1cnc2cnc[nH+]c2n1Cc1ccccc1	O=c1cnc2cncnc2n1Cc1ccccc1	mol8104	O=c1cnc2cncnc2n1Cc1ccccc1