24823
 OpenBabel05082101102D

  3  2  0  0  0  0  0  0  0  0999 V2000
    2.8660   -0.2500    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.7320    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
M  CHG  2   1   1   2  -1
M  END
>  <PUBCHEM_COMPOUND_CID>
24823

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
4.8

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADcQAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
ozone

>  <PUBCHEM_IUPAC_CAS_NAME>
ozone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
ozone

>  <PUBCHEM_IUPAC_NAME>
ozone

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ozone

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ozone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/O3/c1-3-2

>  <PUBCHEM_IUPAC_INCHIKEY>
CBENFWSGALASAD-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
-1.7

>  <PUBCHEM_EXACT_MASS>
47.984744

>  <PUBCHEM_MOLECULAR_FORMULA>
O3

>  <PUBCHEM_MOLECULAR_WEIGHT>
47.998

>  <PUBCHEM_OPENEYE_CAN_SMILES>
[O-][O+]=O

>  <PUBCHEM_OPENEYE_ISO_SMILES>
[O-][O+]=O

>  <PUBCHEM_CACTVS_TPSA>
41.1

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
47.984744

>  <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

$$$$
