pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
-2.13	Datawarrior	1	0	C[n+]1ccc2ccccc2c1S	C[n+]1ccc2ccccc2c1[S-]	mol12806	C[n+]1ccc2ccccc2c1S
-2.1300001	OCHEM	1	0	C[n+]1ccc2ccccc2c1S	C[n+]1ccc2ccccc2c1[S-]	mol12806	C[n+]1ccc2ccccc2c1S