pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
6.43	AttenGpKa training set	1	0	[NH3+]Cc1nc(-c2ccccc2)no1	NCc1nc(-c2ccccc2)no1	mol25442	NCc1nc(-c2ccccc2)no1