1049
  -OEChem-02040816082D

 11 11  0     0  0  0  0  0  0999 V2000
    2.8660   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  4  6  2  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
1

> <PUBCHEM_COMPOUND_CID>
1049

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
30.9

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBiAAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHAAAAAAACADBEgQ8gJIIEACgADBnRACCgCAxAiAI2CA4ZJgIIOLAkZGEIAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
pyridine

> <PUBCHEM_IUPAC_NAME>
pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
pyridine

> <PUBCHEM_NIST_INCHI>
InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H

> <PUBCHEM_CACTVS_XLOGP>
0.8

> <PUBCHEM_EXACT_MASS>
79.042199

> <PUBCHEM_MOLECULAR_FORMULA>
C5H5N

> <PUBCHEM_MOLECULAR_WEIGHT>
79.0999

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=NC=C1

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=NC=C1

> <PUBCHEM_CACTVS_TPSA>
12.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
79.042199

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_SUBSTANCE_ID>
8143472

> <PUBCHEM_SUBSTANCE_VERSION>
7

> <PUBCHEM_EXT_DATASOURCE_NAME>
ChEBI

> <PUBCHEM_EXT_DATASOURCE_REGID>
CHEBI:16227

> <PUBCHEM_SUBSTANCE_SYNONYM>
110-86-1
Azabenzene
CHEBI:16227
Pyridine
py

> <PUBCHEM_GENERIC_REGISTRY_NAME>
110-86-1

> <PUBCHEM_XREF_EXT_ID>
CHEBI:16227

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

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16227

> <PUBCHEM_CID_ASSOCIATIONS>
1049  1

> <PUBCHEM_BONDANNOTATIONS>
1  5  8
1  6  8
2  3  8
2  4  8
3  5  8
4  6  8

$$$$