pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.84	IUPAC digitized pKa	1	0	c1c[nH+]c2cccnc2c1	c1cnc2cccnc2c1	mol4584	c1cnc2cccnc2c1
2.91	AttenGpKa training set	1	0	c1c[nH+]c2cccnc2c1	c1cnc2cccnc2c1	mol4584	c1cnc2cccnc2c1
-1.13	AttenGpKa training set	2	1	c1c[nH+]c2ccc[nH+]c2c1	c1c[nH+]c2cccnc2c1	mol4584	c1cnc2cccnc2c1