pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-3.98	AttenGpKa training set	2	1	C[n+]1[nH+]cc2ccccc2c1S	C[n+]1[nH+]cc2ccccc2c1[S-]	mol26223	C[n+]1ncc2ccccc2c1S