10005
  -OEChem-05112410242D

 10  9  0     0  0  0  0  0  0999 V2000
    2.5369    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.9050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.5950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0010   -0.4050    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2850    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9399   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2150    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4  6  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10005

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
100

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYBDgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAQAAAAAAAAAAABAAJAAAAwAAAAJAAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_CAS_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-cyanoguanidine

> <PUBCHEM_IUPAC_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-cyanoguanidine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C2H4N4/c3-1-6-2(4)5/h(H4,4,5,6)

> <PUBCHEM_IUPAC_INCHIKEY>
QGBSISYHAICWAH-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
-1.2

> <PUBCHEM_EXACT_MASS>
84.043596145

> <PUBCHEM_MOLECULAR_FORMULA>
C2H4N4

> <PUBCHEM_MOLECULAR_WEIGHT>
84.08

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)N=C(N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)N=C(N)N

> <PUBCHEM_CACTVS_TPSA>
88.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
84.043596145

> <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_COORDINATE_TYPE>
1
5
255

$$$$