pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
4.66	AttenGpKa training set	1	0	CC1=N/C(=C/c2ccc[nH+]c2)C(=O)O1,CC1=N/C(=C/c2cccnc2)C(=[OH+])O1,CC1=[NH+]/C(=C/c2cccnc2)C(=O)O1	CC1=N/C(=C/c2cccnc2)C(=O)O1	mol29558	CC1=N/C(=C/c2cccnc2)C(=O)O1