pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.2	AttenGpKa training set	1	0	CN1C=C/C(=C\C(=[OH+])c2ccccc2)c2ccccc21,C[NH+]1C=C/C(=C\C(=O)c2ccccc2)c2ccccc21	CN1C=C/C(=C\C(=O)c2ccccc2)c2ccccc21	mol27058	CN1C=C/C(=C\C(=O)c2ccccc2)c2ccccc21