297
  -OEChem-04262407032D

  5  4  0     0  0  0  0  0  0999 V2000
    2.5369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0739    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2269    0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469   -0.5369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
M  END
> <PUBCHEM_COMPOUND_CID>
297

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
0

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
0

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAEAAAAAAAAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
methane

> <PUBCHEM_IUPAC_CAS_NAME>
methane

> <PUBCHEM_IUPAC_NAME_MARKUP>
methane

> <PUBCHEM_IUPAC_NAME>
methane

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
methane

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
methane

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4/h1H4

> <PUBCHEM_IUPAC_INCHIKEY>
VNWKTOKETHGBQD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.6

> <PUBCHEM_EXACT_MASS>
16.0313001276

> <PUBCHEM_MOLECULAR_FORMULA>
CH4

> <PUBCHEM_MOLECULAR_WEIGHT>
16.043

> <PUBCHEM_OPENEYE_CAN_SMILES>
C

> <PUBCHEM_OPENEYE_ISO_SMILES>
C

> <PUBCHEM_CACTVS_TPSA>
0

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
16.0313001276

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
1

> <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

$$$$