44386612
  -OEChem-05102412132D

 65 46  0     0  0  0  0  0  0999 V2000
    5.5072    0.0842    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    7.4768    0.4315    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    3.5827   -0.4313    0.0000 Ru  0  0  0  0  0  0  0  0  0  0  0  0
    6.4920    0.2579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5224   -0.0894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1652    1.0239    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5073   -0.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    1.0842    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4469   -0.2578    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4616    0.6052    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1196   -0.3345    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8188    1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4769   -0.5685    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1348    1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827   -0.4313    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9399    0.3348    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2408   -1.3712    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256   -1.1975    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.5535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0171   -0.1406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3843    0.8685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9973    0.3091    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1239   -0.5644    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9531    1.6065    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6401    0.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5826    0.8120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5074   -1.5358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824   -1.3142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0325   -1.3143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5072    1.7042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9821    1.4828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9246    1.2963    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0295   -0.4698    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3393   -0.8684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9838    0.0522    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0722    0.7128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9366    0.2067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7716    1.1421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5181   -0.8095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7396   -0.3345    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0120   -0.9451    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0309    1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4014    1.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3439    0.9727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868   -0.0316    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4769   -1.1885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0018   -0.9669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4448    1.9082    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9227    1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    1.5833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6432    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3707   -1.0141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0458   -0.1211    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5414    0.8097    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3199    0.3348    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9398    0.9547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -1.9538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5509   -1.9080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581   -1.5831    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7005   -0.7989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5355   -1.7343    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0135   -1.7801    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9684    1.1361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463    1.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    0.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 11 41  1  0  0  0  0
 12 42  1  0  0  0  0
 12 43  1  0  0  0  0
 12 44  1  0  0  0  0
 13 45  1  0  0  0  0
 13 46  1  0  0  0  0
 13 47  1  0  0  0  0
 14 48  1  0  0  0  0
 14 49  1  0  0  0  0
 14 50  1  0  0  0  0
 15 51  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 17 59  1  0  0  0  0
 18 60  1  0  0  0  0
 18 61  1  0  0  0  0
 18 62  1  0  0  0  0
 19 63  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
M  CHG  3   1   4   2   5   3   5
M  END
> <PUBCHEM_COMPOUND_CID>
44386612

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
20.7

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
16

> <PUBCHEM_CACTVS_HBOND_DONOR>
16

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfAD8AAAAAAAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ammonia;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_CAS_NAME>
ammonia;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_NAME_MARKUP>
azane;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_NAME>
azane;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
azane;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
ammonia;ruthenium(4+);ruthenium(5+);dihydrate

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/14H3N.2H2O.3Ru/h14*1H3;2*1H2;;;/q;;;;;;;;;;;;;;;;+4;2*+5

> <PUBCHEM_IUPAC_INCHIKEY>
YWHAYUZFWXKXDB-UHFFFAOYSA-N

> <PUBCHEM_EXACT_MASS>
581.10816

> <PUBCHEM_MOLECULAR_FORMULA>
H46N14O2Ru3+14

> <PUBCHEM_MOLECULAR_WEIGHT>
577.7

> <PUBCHEM_OPENEYE_CAN_SMILES>
N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Ru+4].[Ru+5].[Ru+5]

> <PUBCHEM_OPENEYE_ISO_SMILES>
N.N.N.N.N.N.N.N.N.N.N.N.N.N.O.O.[Ru+4].[Ru+5].[Ru+5]

> <PUBCHEM_CACTVS_TPSA>
16

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
580.10584

> <PUBCHEM_TOTAL_CHARGE>
14

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
19

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_NONSTANDARDBOND>
1  4  6
1  5  6
1  6  6
1  7  6
1  8  6
1  9  6
2  10  6
2  11  6
2  12  6
2  13  6
2  14  6
2  4  6
3  15  6
3  16  6
3  17  6
3  18  6
3  19  6
3  5  6

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

$$$$