31294
  -OEChem-05112410432D

 12 10  0     0  0  0  0  0  0999 V2000
    2.2690    4.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7015    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5675    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.3100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    2.8100    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4030    3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5369    4.9300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9399    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    2.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1645    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1044    0.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31294

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
29

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
4

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcYADMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABgAQDAAAAAAAAAABAABAAAAIAAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_CAS_NAME>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_NAME>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
hydrogen peroxide;urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/CH4N2O.H2O2/c2-1(3)4;1-2/h(H4,2,3,4);1-2H

> <PUBCHEM_IUPAC_INCHIKEY>
AQLJVWUFPCUVLO-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
94.03784206

> <PUBCHEM_MOLECULAR_FORMULA>
CH6N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
94.07

> <PUBCHEM_OPENEYE_CAN_SMILES>
C(=O)(N)N.OO

> <PUBCHEM_OPENEYE_ISO_SMILES>
C(=O)(N)N.OO

> <PUBCHEM_CACTVS_TPSA>
110

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
94.03784206

> <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>
2

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$