pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
2.96	IUPAC digitized pKa	1	0	Nc1ccn(-c2ccccc2)[nH+]1,[NH3+]c1ccn(-c2ccccc2)n1	Nc1ccn(-c2ccccc2)n1	mol6796	Nc1ccn(-c2ccccc2)n1
2.91	AttenGpKa training set	1	0	Nc1ccn(-c2ccccc2)[nH+]1,[NH3+]c1ccn(-c2ccccc2)n1	Nc1ccn(-c2ccccc2)n1	mol6796	Nc1ccn(-c2ccccc2)n1