pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
3.79999995231628	QSARToolbox	1	0	O=C(O)CCSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1	O=C([O-])CCSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1	mol36897	O=C(O)CCSc1nn(-c2ccccc2)[n+](-c2ccccc2)n1