pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.3	AttenGpKa training set	1	0	CC(=[OH+])Nc1c2ccccc2nc2ccccc12,CC(=O)Nc1c2ccccc2[nH+]c2ccccc12	CC(=O)Nc1c2ccccc2nc2ccccc12	mol26678	CC(=O)Nc1c2ccccc2nc2ccccc12