-OEChem-10281115192D

 14 14  0     0  0  0  0  0  0999 V2000
    0.0000    1.7542    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.5167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.7208    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.5167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  7  2  0  0  0  0
  2  8  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  2  0  0  0  0
  4  8  2  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
8145077

> <PUBCHEM_SUBSTANCE_VERSION>
21

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:15930

> <PUBCHEM_SUBSTANCE_SYNONYM>
2-CHLORO-4-ISOPROPYLAMINO-6-ETHYLAMINO-1,3,5-TRIAZINE
2-chloro-4-(ethylamino)-6-(isopropylamino)-1,3,5-triazine
2-chloro-4-ethylamino-6-isopropylamino-1,3,5-triazine
2-chloro-4-ethylamino-6-isopropylamino-s-triazine
2-ethylamino-4-isopropylamino-6-chloro-s-triazine
6-chloro-N-ethyl-N'-(1-methylethyl)-1,3,5-triazine-2,4-diamine
6-chloro-N-ethyl-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
6-chloro-N-ethyl-N'-isopropyl-1,3,5-triazine-2,4-diamine
CHEBI:15930
atrazine

> <PUBCHEM_XREF_EXT_ID>
CHEBI:15930

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.ebi.ac.uk/chebi/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15930

> <PUBCHEM_CID_ASSOCIATIONS>
2256  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$