-OEChem-07191013262D

 11 11  0     0  0  0  0  0  0999 V2000
    3.9882   -2.3025    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882   -3.6319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882   -0.9731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3175   -2.3025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6588   -2.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9941   -3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -1.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6647   -3.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -2.3025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  1  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
48425424

> <PUBCHEM_SUBSTANCE_VERSION>
2

> <PUBCHEM_EXT_DATASOURCE_NAME>
EPA DSSTox

> <PUBCHEM_EXT_DATASOURCE_REGID>
33787

> <PUBCHEM_SUBSTANCE_COMMENT>
Substance included in EPA DSSTox NTPHTS: National Toxicology Program (NTP) High Throughput Screening Project Structure-Index File <a href="http://www.epa.gov/ncct/dsstox/sdf_ntphts.html"target="_blank">[link to DSSTox SDF Download Page]</a>
Structure Shown: tested chemical
For further information visit the National Institute of Environmental Health Sciences (NIEHS) NTP High Throughput Screening Initiative <a href="http://ntp.niehs.nih.gov/index.cfm?objectid=05F80E15-F1F6-975E-77DDEDBDF3B941CD"target="_blank">Website</a>

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-aminobenzenesulfonic acid
88-21-1
Orthanilic acid

> <PUBCHEM_GENERIC_REGISTRY_NAME>
88-21-1

> <PUBCHEM_XREF_EXT_ID>
33787

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.epa.gov/ncct/dsstox/sdf_ntphts.html

> <PUBCHEM_CID_ASSOCIATIONS>
6926  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

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