9864
  -OEChem-04262415302D

  5  4  0     0  0  0  0  0  0999 V2000
    3.7320    0.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  3  3  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9864

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
29.3

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQADAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAQAAAAAAAAAAABAABAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
cyanamide

> <PUBCHEM_IUPAC_CAS_NAME>
cyanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
cyanamide

> <PUBCHEM_IUPAC_NAME>
cyanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
cyanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
cyanamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH2N2/c2-1-3/h2H2

> <PUBCHEM_IUPAC_INCHIKEY>
XZMCDFZZKTWFGF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
42.021798072

> <PUBCHEM_MOLECULAR_FORMULA>
CH2N2

> <PUBCHEM_MOLECULAR_WEIGHT>
42.040

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(#N)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(#N)N

> <PUBCHEM_CACTVS_TPSA>
49.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
42.021798072

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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

$$$$