pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
1.22	AttenGpKa training set	1	0	C[n+]1c[nH+]c2ccccc2c1[S-],C[n+]1cnc2ccccc2c1S	C[n+]1cnc2ccccc2c1[S-]	mol26224	C[n+]1cnc2ccccc2c1S