pka_value	data_source	charge_state_pre	charge_state_post	microspecies_pre	microspecies_post	molid	smiles
8.59000015258789	QSARToolbox	0	-1	O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)NO	O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)N[O-],O=C(CN1[C@@H](Cc2ccccc2)CS1(=O)=O)[N-]O	mol37111	O=C(CN1C(Cc2ccccc2)CS1(=O)=O)NO