-OEChem-06231013072D

 11 11  0     0  0  0  0  0  0999 V2000
    1.1483   -0.2241    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9690   -0.7241    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5655    0.4931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828    0.5241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2655   -0.2862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4621   -0.6793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2862    0.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9621   -0.7241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    0.9276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6862   -0.3345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    0.4931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  2  0  0  0  0
  1  6  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 11  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
152713

> <PUBCHEM_SUBSTANCE_VERSION>
4

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChemIDplus

> <PUBCHEM_EXT_DATASOURCE_REGID>
000329986

> <PUBCHEM_SUBSTANCE_COMMENT>
Enzyme inhibitors
Protease inhibitors

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-11-00-00331 (Beilstein Handbook Reference)
329-98-6
BRN 2088311
Benzenemethanesulfonyl fluoride
Benzylsulfonyl fluoride
Benzylsulphonyl fluoride
EINECS 206-350-2
NSC 88499
PMSF
Phenylmethanesulfonyl fluoride
Phenylmethylsulfonyl fluoride
alpha-Toluenesulfonyl fluoride
alpha-Toluenesulphonyl fluoride

> <PUBCHEM_GENERIC_REGISTRY_NAME>
329-98-6

> <PUBCHEM_XREF_EXT_ID>
000329986

> <PUBCHEM_EXT_DATASOURCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced&regno=000329986

> <PUBCHEM_CID_ASSOCIATIONS>
4784  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$