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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-11 18:51:28 UTC

Update Date

2022-03-07 02:53:58 UTC

HMDB ID

HMDB0034073

Secondary Accession Numbers

HMDB34073

Metabolite Identification

Common Name

Vicine

Description

Vicine belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. Vicine is found, on average, in the highest concentration within broad beans (Vicia faba). Vicine has also been detected, but not quantified in, bitter gourds (Momordica charantia) and pulses. This could make vicine a potential biomarker for the consumption of these foods. Based on a literature review a significant number of articles have been published on Vicine.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0034073
     RDKit          3D
Vicine
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.8959   -1.2620    1.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.9686    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    0.3169    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.6363   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    1.9852   -0.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -0.3398   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -0.0398   -0.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    0.2018   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -0.7583   -0.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.6458    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -1.8212    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534   -3.0368    0.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730    0.6235    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    0.8594    1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.7948   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    2.4165   -1.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153    1.5580   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891    1.7880   -1.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557   -1.6452   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -2.7142   -0.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -1.9364    0.3359 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700   -2.0433    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422   -0.6449    1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    2.5070   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    2.5382    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    0.1127    1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -0.7519    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711   -1.8285   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -1.7566    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9052   -3.4015    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8475    0.4170   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876    1.5943    1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590    2.5622    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    3.2220   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    2.3034    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    0.9058   -2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -2.7479   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 17  8  1  0
  1 22  1  0
  1 23  1  0
  5 24  1  0
  5 25  1  0
  8 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 20 37  1  0
M  END

  Mrv0541 05061307332D          

 21 22  0  0  0  0            999 V2000
   -6.0032    1.7068    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0032    0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    0.4693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4321   -0.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5742   -0.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2887   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2887    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5742    0.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453    0.8818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453    1.7068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0032   -0.7682    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8598   -0.3557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453   -0.7682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1453   -1.5932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308   -2.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164   -0.7682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308   -0.3557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4308    0.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7164    0.8818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0034073

> <DATABASE_NAME>
hmdb

> <SMILES>
NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)

> <INCHI_KEY>
KGNGTSCIQCLKEH-UHFFFAOYSA-N

> <FORMULA>
C10H16N4O7

> <MOLECULAR_WEIGHT>
304.2566

> <EXACT_MASS>
304.101898886

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
27.400589145273855

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <ALOGPS_LOGP>
-2.26

> <JCHEM_LOGP>
-2.6156141066666665

> <ALOGPS_LOGS>
-0.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.880019347105076

> <JCHEM_PKA_STRONGEST_ACIDIC>
12.144215178042911

> <JCHEM_PKA_STRONGEST_BASIC>
3.1643543870205595

> <JCHEM_POLAR_SURFACE_AREA>
197.42999999999998

> <JCHEM_REFRACTIVITY>
68.80229999999999

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.88e+01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0034073
     RDKit          3D
Vicine
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.8959   -1.2620    1.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.9686    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    0.3169    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.6363   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    1.9852   -0.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -0.3398   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -0.0398   -0.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    0.2018   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -0.7583   -0.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.6458    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -1.8212    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534   -3.0368    0.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730    0.6235    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    0.8594    1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.7948   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    2.4165   -1.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153    1.5580   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891    1.7880   -1.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557   -1.6452   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -2.7142   -0.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -1.9364    0.3359 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700   -2.0433    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422   -0.6449    1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    2.5070   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    2.5382    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    0.1127    1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -0.7519    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711   -1.8285   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -1.7566    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9052   -3.4015    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8475    0.4170   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876    1.5943    1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590    2.5622    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    3.2220   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    2.3034    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    0.9058   -2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -2.7479   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 17  8  1  0
  1 22  1  0
  1 23  1  0
  5 24  1  0
  5 25  1  0
  8 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 20 37  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  N   UNK     0     -11.206   3.186   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0     -11.206   1.646   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0     -12.540   0.876   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0     -12.540  -0.664   0.000  0.00  0.00           C+0
HETATM    5  N   UNK     0     -13.873  -1.434   0.000  0.00  0.00           N+0
HETATM    6  O   UNK     0      -8.539  -1.434   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0      -9.872  -0.664   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -9.872   0.876   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -8.539   1.646   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -7.205   0.876   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.871   1.646   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      -5.871   3.186   0.000  0.00  0.00           O+0
HETATM   13  N   UNK     0     -11.206  -1.434   0.000  0.00  0.00           N+0
HETATM   14  O   UNK     0      -7.205  -0.664   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0      -5.871  -1.434   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.871  -2.974   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0      -4.537  -3.744   0.000  0.00  0.00           O+0
HETATM   18  O   UNK     0      -3.204  -1.434   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.537  -0.664   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.537   0.876   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0      -3.204   1.646   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3    8                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   13                                                  
CONECT    5    4                                                            
CONECT    6    7                                                            
CONECT    7    6    8   13                                                  
CONECT    8    2    7    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   14                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11                                                            
CONECT   13    4    7                                                       
CONECT   14   10   15                                                       
CONECT   15   14   16   19                                                  
CONECT   16   15   17                                                       
CONECT   17   16                                                            
CONECT   18   19                                                            
CONECT   19   15   18   20                                                  
CONECT   20   11   19   21                                                  
CONECT   21   20                                                            
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0034073
HETATM    1  N1  UNL     1       5.896  -1.262   1.115  1.00  0.00           N  
HETATM    2  C1  UNL     1       4.578  -0.969   0.611  1.00  0.00           C  
HETATM    3  N2  UNL     1       4.241   0.317   0.421  1.00  0.00           N  
HETATM    4  C2  UNL     1       3.000   0.636  -0.055  1.00  0.00           C  
HETATM    5  N3  UNL     1       2.666   1.985  -0.248  1.00  0.00           N  
HETATM    6  C3  UNL     1       2.080  -0.340  -0.347  1.00  0.00           C  
HETATM    7  O1  UNL     1       0.854  -0.040  -0.817  1.00  0.00           O  
HETATM    8  C4  UNL     1      -0.307   0.202  -0.046  1.00  0.00           C  
HETATM    9  O2  UNL     1      -1.246  -0.758  -0.437  1.00  0.00           O  
HETATM   10  C5  UNL     1      -2.320  -0.646   0.430  1.00  0.00           C  
HETATM   11  C6  UNL     1      -3.267  -1.821   0.199  1.00  0.00           C  
HETATM   12  O3  UNL     1      -2.653  -3.037   0.421  1.00  0.00           O  
HETATM   13  C7  UNL     1      -3.073   0.624   0.209  1.00  0.00           C  
HETATM   14  O4  UNL     1      -3.839   0.859   1.376  1.00  0.00           O  
HETATM   15  C8  UNL     1      -2.252   1.795  -0.162  1.00  0.00           C  
HETATM   16  O5  UNL     1      -2.805   2.416  -1.299  1.00  0.00           O  
HETATM   17  C9  UNL     1      -0.815   1.558  -0.406  1.00  0.00           C  
HETATM   18  O6  UNL     1      -0.489   1.788  -1.764  1.00  0.00           O  
HETATM   19  C10 UNL     1       2.456  -1.645  -0.142  1.00  0.00           C  
HETATM   20  O7  UNL     1       1.621  -2.714  -0.397  1.00  0.00           O  
HETATM   21  N4  UNL     1       3.703  -1.936   0.336  1.00  0.00           N  
HETATM   22  H1  UNL     1       6.470  -2.043   0.744  1.00  0.00           H  
HETATM   23  H2  UNL     1       6.242  -0.645   1.874  1.00  0.00           H  
HETATM   24  H3  UNL     1       2.735   2.507  -1.148  1.00  0.00           H  
HETATM   25  H4  UNL     1       2.312   2.538   0.571  1.00  0.00           H  
HETATM   26  H5  UNL     1      -0.090   0.113   1.054  1.00  0.00           H  
HETATM   27  H6  UNL     1      -1.969  -0.752   1.482  1.00  0.00           H  
HETATM   28  H7  UNL     1      -3.671  -1.829  -0.831  1.00  0.00           H  
HETATM   29  H8  UNL     1      -4.134  -1.757   0.886  1.00  0.00           H  
HETATM   30  H9  UNL     1      -2.905  -3.402   1.315  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.847   0.417  -0.586  1.00  0.00           H  
HETATM   32  H11 UNL     1      -3.388   1.594   1.879  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.359   2.562   0.662  1.00  0.00           H  
HETATM   34  H13 UNL     1      -3.300   3.222  -1.093  1.00  0.00           H  
HETATM   35  H14 UNL     1      -0.177   2.303   0.155  1.00  0.00           H  
HETATM   36  H15 UNL     1      -0.584   0.906  -2.208  1.00  0.00           H  
HETATM   37  H16 UNL     1       0.638  -2.748  -0.201  1.00  0.00           H  
CONECT    1    2   22   23
CONECT    2    3    3   21
CONECT    3    4
CONECT    4    5    6    6
CONECT    5   24   25
CONECT    6    7   19
CONECT    7    8
CONECT    8    9   17   26
CONECT    9   10
CONECT   10   11   13   27
CONECT   11   12   28   29
CONECT   12   30
CONECT   13   14   15   31
CONECT   14   32
CONECT   15   16   17   33
CONECT   16   34
CONECT   17   18   35
CONECT   18   36
CONECT   19   20   21   21
CONECT   20   37
END

HMDB0034073
     RDKit          3D
Vicine
 37 38  0  0  0  0  0  0  0  0999 V2000
    5.8959   -1.2620    1.1147 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.9686    0.6113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2410    0.3169    0.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0002    0.6363   -0.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6655    1.9852   -0.2477 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0798   -0.3398   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8541   -0.0398   -0.8168 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073    0.2018   -0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2459   -0.7583   -0.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3202   -0.6458    0.4301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2667   -1.8212    0.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6534   -3.0368    0.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0730    0.6235    0.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8386    0.8594    1.3759 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520    1.7948   -0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8053    2.4165   -1.2989 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8153    1.5580   -0.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4891    1.7880   -1.7639 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557   -1.6452   -0.1415 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211   -2.7142   -0.3968 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -1.9364    0.3359 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4700   -2.0433    0.7441 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2422   -0.6449    1.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350    2.5070   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3120    2.5382    0.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0898    0.1127    1.0542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9695   -0.7519    1.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6711   -1.8285   -0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1345   -1.7566    0.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9052   -3.4015    1.3153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8475    0.4170   -0.5861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3876    1.5943    1.8793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3590    2.5622    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3003    3.2220   -1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1773    2.3034    0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835    0.9058   -2.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6377   -2.7479   -0.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  4  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 10 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  1  0
 15 17  1  0
 17 18  1  0
  6 19  1  0
 19 20  1  0
 19 21  2  0
 21  2  1  0
 17  8  1  0
  1 22  1  0
  1 23  1  0
  5 24  1  0
  5 25  1  0
  8 26  1  0
 10 27  1  0
 11 28  1  0
 11 29  1  0
 12 30  1  0
 13 31  1  0
 14 32  1  0
 15 33  1  0
 16 34  1  0
 17 35  1  0
 18 36  1  0
 20 37  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2,6-diamino-5-(beta-D-Glucopyranosyloxy)-4(1H)-pyrimidinone	HMDB
Divicine, 5-beta -D-glucopyranoside	HMDB
Divicine, 5-beta-D-glucopyranoside	HMDB
Divicine-5beta-D-glucopyranoside	HMDB
Vicine?	HMDB
Vicioside	HMDB

Chemical Formula

C₁₀H₁₆N₄O₇

Average Molecular Weight

304.2566

Monoisotopic Molecular Weight

304.101898886

IUPAC Name

2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Traditional Name

2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS Registry Number

152-93-2

SMILES

NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1

InChI Identifier

InChI=1S/C10H16N4O7/c11-7-6(8(19)14-10(12)13-7)21-9-5(18)4(17)3(16)2(1-15)20-9/h2-5,9,15-18H,1H2,(H5,11,12,13,14,19)

InChI Key

KGNGTSCIQCLKEH-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

O-glycosyl compounds

Alternative Parents

Substituents

Hexose monosaccharide
O-glycosyl compound
Aminopyrimidine
Pyrimidone
Hydropyrimidine
Monosaccharide
Oxane
Pyrimidine
Heteroaromatic compound
Vinylogous amide
Secondary alcohol
Acetal
Oxacycle
Azacycle
Polyol
Organoheterocyclic compound
Organonitrogen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Amine
Organic nitrogen compound
Primary alcohol
Primary amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Ontology

Not Available

Ingestion (HMDB: HMDB0034073)

Source

Exogenous

Exogenous (HMDB: HMDB0034073)

Food

Food (HMDB: HMDB0034073)

Gourd

Bitter gourd (FooDB: FOOD00115)

Pulse

Bean

Broad bean (FooDB: FOOD00197)

Pulses (FooDB: FOOD00867)

Endogenous

Plant

Fabaceae (HMDB: HMDB0034073)
Cucurbitaceae (HMDB: HMDB0034073)

Process

Not Available

Role

Biological role

Nutrient (HMDB: HMDB0034073)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	243 - 244 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	10 mg/mL	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	38.8 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-2.6	ChemAxon
logS	-0.89	ALOGPS
pKa (Strongest Acidic)	12.14	ChemAxon
pKa (Strongest Basic)	3.16	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	197.43 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	68.8 m³·mol⁻¹	ChemAxon
Polarizability	27.4 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	169.976	31661259
DarkChem	[M-H]-	169.034	31661259
DeepCCS	[M+H]+	169.919	30932474
DeepCCS	[M-H]-	167.562	30932474
DeepCCS	[M-2H]-	200.448	30932474
DeepCCS	[M+Na]+	176.013	30932474
AllCCS	[M+H]+	169.3	32859911
AllCCS	[M+H-H2O]+	165.9	32859911
AllCCS	[M+NH4]+	172.4	32859911
AllCCS	[M+Na]+	173.3	32859911
AllCCS	[M-H]-	165.5	32859911
AllCCS	[M+Na-2H]-	165.1	32859911
AllCCS	[M+HCOO]-	164.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Vicine	NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1	4187.4	Standard polar	33892256
Vicine	NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1	3037.2	Standard non polar	33892256
Vicine	NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N)=N1	2986.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Vicine,1TMS,isomer #1	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O	3035.6	Semi standard non polar	33892256
Vicine,1TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O)C1O	3052.7	Semi standard non polar	33892256
Vicine,1TMS,isomer #3	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O)C1O	3083.3	Semi standard non polar	33892256
Vicine,1TMS,isomer #4	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(N)N=C(N)N=C2O)C1O	3076.9	Semi standard non polar	33892256
Vicine,1TMS,isomer #5	C[Si](C)(C)OC1C(OC2=C(N)N=C(N)N=C2O)OC(CO)C(O)C1O	3067.5	Semi standard non polar	33892256
Vicine,1TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=N1	3136.2	Semi standard non polar	33892256
Vicine,1TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O	3188.7	Semi standard non polar	33892256
Vicine,2TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O)C(O)C1O	2957.2	Semi standard non polar	33892256
Vicine,2TMS,isomer #10	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	3070.3	Semi standard non polar	33892256
Vicine,2TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O)=N1	3034.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #12	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C1O	2960.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #13	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O)C1O[Si](C)(C)C	2969.1	Semi standard non polar	33892256
Vicine,2TMS,isomer #14	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3050.9	Semi standard non polar	33892256
Vicine,2TMS,isomer #15	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O)=N1	3028.6	Semi standard non polar	33892256
Vicine,2TMS,isomer #16	C[Si](C)(C)OC1C(OC2=C(N)N=C(N)N=C2O)OC(CO)C(O)C1O[Si](C)(C)C	2977.7	Semi standard non polar	33892256
Vicine,2TMS,isomer #17	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3047.9	Semi standard non polar	33892256
Vicine,2TMS,isomer #18	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O)=N1	3026.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #19	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3049.3	Semi standard non polar	33892256
Vicine,2TMS,isomer #2	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	2964.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #20	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O)=N1	3028.5	Semi standard non polar	33892256
Vicine,2TMS,isomer #21	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N[Si](C)(C)C)=N1	3162.5	Semi standard non polar	33892256
Vicine,2TMS,isomer #22	C[Si](C)(C)N(C1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=N1)[Si](C)(C)C	3150.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #23	C[Si](C)(C)N(C1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O)[Si](C)(C)C	3192.0	Semi standard non polar	33892256
Vicine,2TMS,isomer #3	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	2960.8	Semi standard non polar	33892256
Vicine,2TMS,isomer #4	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2955.6	Semi standard non polar	33892256
Vicine,2TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)=N1	3018.3	Semi standard non polar	33892256
Vicine,2TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3080.1	Semi standard non polar	33892256
Vicine,2TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C(O)C1O	2973.3	Semi standard non polar	33892256
Vicine,2TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O[Si](C)(C)C)C1O	2982.4	Semi standard non polar	33892256
Vicine,2TMS,isomer #9	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O)C1O[Si](C)(C)C	2974.7	Semi standard non polar	33892256
Vicine,3TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2916.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #10	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2925.1	Semi standard non polar	33892256
Vicine,3TMS,isomer #11	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2982.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #12	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3016.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #13	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2991.4	Semi standard non polar	33892256
Vicine,3TMS,isomer #14	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3026.6	Semi standard non polar	33892256
Vicine,3TMS,isomer #15	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C)=N1	3093.0	Semi standard non polar	33892256
Vicine,3TMS,isomer #16	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O	3067.3	Semi standard non polar	33892256
Vicine,3TMS,isomer #17	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3116.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2915.3	Semi standard non polar	33892256
Vicine,3TMS,isomer #19	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2957.9	Semi standard non polar	33892256
Vicine,3TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2907.3	Semi standard non polar	33892256
Vicine,3TMS,isomer #20	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2997.9	Semi standard non polar	33892256
Vicine,3TMS,isomer #21	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O)=N1	2971.7	Semi standard non polar	33892256
Vicine,3TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2913.4	Semi standard non polar	33892256
Vicine,3TMS,isomer #23	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2987.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #24	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O)=N1	2959.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #25	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2999.6	Semi standard non polar	33892256
Vicine,3TMS,isomer #26	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O)=N1	2974.4	Semi standard non polar	33892256
Vicine,3TMS,isomer #27	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(N[Si](C)(C)C)=N1	3071.6	Semi standard non polar	33892256
Vicine,3TMS,isomer #28	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3085.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #29	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C(O)C1O	3055.9	Semi standard non polar	33892256
Vicine,3TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2922.0	Semi standard non polar	33892256
Vicine,3TMS,isomer #30	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2941.1	Semi standard non polar	33892256
Vicine,3TMS,isomer #31	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3000.1	Semi standard non polar	33892256
Vicine,3TMS,isomer #32	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	2970.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #33	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3000.4	Semi standard non polar	33892256
Vicine,3TMS,isomer #34	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	2969.3	Semi standard non polar	33892256
Vicine,3TMS,isomer #35	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(N[Si](C)(C)C)=N1	3077.6	Semi standard non polar	33892256
Vicine,3TMS,isomer #36	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3091.0	Semi standard non polar	33892256
Vicine,3TMS,isomer #37	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C1O	3086.1	Semi standard non polar	33892256
Vicine,3TMS,isomer #38	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3012.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #39	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	2977.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	3019.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #40	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(N[Si](C)(C)C)=N1	3050.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #41	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3074.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #42	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C1O	3071.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #43	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	3077.8	Semi standard non polar	33892256
Vicine,3TMS,isomer #44	C[Si](C)(C)OC1C(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)OC(CO)C(O)C1O	3088.2	Semi standard non polar	33892256
Vicine,3TMS,isomer #45	C[Si](C)(C)OC1C(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)OC(CO)C(O)C1O	3075.3	Semi standard non polar	33892256
Vicine,3TMS,isomer #46	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O	3148.7	Semi standard non polar	33892256
Vicine,3TMS,isomer #47	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3154.5	Semi standard non polar	33892256
Vicine,3TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=N1	2972.0	Semi standard non polar	33892256
Vicine,3TMS,isomer #6	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2917.2	Semi standard non polar	33892256
Vicine,3TMS,isomer #7	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2918.2	Semi standard non polar	33892256
Vicine,3TMS,isomer #8	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	2995.6	Semi standard non polar	33892256
Vicine,3TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3026.1	Semi standard non polar	33892256
Vicine,4TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2869.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #10	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C)=N1	3001.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	2985.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O)C(O)C1O	2968.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #13	C[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2868.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #14	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2924.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #15	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2969.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #16	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2932.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #17	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2986.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #18	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	3028.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #19	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3012.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2899.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #20	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3006.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #21	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2923.7	Semi standard non polar	33892256
Vicine,4TMS,isomer #22	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2974.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #23	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	3017.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #24	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3003.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #25	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3003.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #26	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3020.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #27	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	2998.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #28	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3002.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #29	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3071.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #3	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2961.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #30	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3066.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #31	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2916.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #32	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2938.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #33	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	2908.1	Semi standard non polar	33892256
Vicine,4TMS,isomer #34	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2982.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #35	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O)=N1	2943.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #36	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2996.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #37	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2962.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C(O)C1O	2970.7	Semi standard non polar	33892256
Vicine,4TMS,isomer #39	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2945.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2920.7	Semi standard non polar	33892256
Vicine,4TMS,isomer #40	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O)=N1	2916.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #41	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(N[Si](C)(C)C)=N1	2987.1	Semi standard non polar	33892256
Vicine,4TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2946.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C(O[Si](C)(C)C)C1O	2962.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #44	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(N[Si](C)(C)C)=N1	3001.7	Semi standard non polar	33892256
Vicine,4TMS,isomer #45	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2965.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #46	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C(O)C1O[Si](C)(C)C	2969.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #47	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	3045.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #48	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3032.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #49	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2949.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2867.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #50	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	2914.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #51	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2995.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #52	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2966.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #53	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C1O	2976.0	Semi standard non polar	33892256
Vicine,4TMS,isomer #54	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N[Si](C)(C)C)=N1	2985.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #55	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2964.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C1O[Si](C)(C)C	2971.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #57	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3083.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #58	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3068.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #59	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2989.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #6	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2956.3	Semi standard non polar	33892256
Vicine,4TMS,isomer #60	C[Si](C)(C)OC1C(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	2968.8	Semi standard non polar	33892256
Vicine,4TMS,isomer #61	C[Si](C)(C)OC1C(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)OC(CO)C(O)C1O[Si](C)(C)C	2976.5	Semi standard non polar	33892256
Vicine,4TMS,isomer #62	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3066.2	Semi standard non polar	33892256
Vicine,4TMS,isomer #63	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3049.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #64	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3071.9	Semi standard non polar	33892256
Vicine,4TMS,isomer #65	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3058.1	Semi standard non polar	33892256
Vicine,4TMS,isomer #66	C[Si](C)(C)N(C1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1)[Si](C)(C)C	3117.4	Semi standard non polar	33892256
Vicine,4TMS,isomer #7	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2920.6	Semi standard non polar	33892256
Vicine,4TMS,isomer #8	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2966.7	Semi standard non polar	33892256
Vicine,4TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	2920.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #1	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2891.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #10	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2919.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2979.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2949.3	Semi standard non polar	33892256
Vicine,5TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	2967.1	Semi standard non polar	33892256
Vicine,5TMS,isomer #14	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(O[Si](C)(C)C)=N1	2984.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #15	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2962.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #16	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	2964.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #17	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O	3045.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #18	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3006.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #19	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2907.1	Semi standard non polar	33892256
Vicine,5TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2934.4	Semi standard non polar	33892256
Vicine,5TMS,isomer #20	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2934.9	Semi standard non polar	33892256
Vicine,5TMS,isomer #21	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2977.4	Semi standard non polar	33892256
Vicine,5TMS,isomer #22	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2954.9	Semi standard non polar	33892256
Vicine,5TMS,isomer #23	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2956.4	Semi standard non polar	33892256
Vicine,5TMS,isomer #24	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2999.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #25	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2962.9	Semi standard non polar	33892256
Vicine,5TMS,isomer #26	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2968.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3076.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #28	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3043.9	Semi standard non polar	33892256
Vicine,5TMS,isomer #29	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2980.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #3	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2915.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #30	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2952.1	Semi standard non polar	33892256
Vicine,5TMS,isomer #31	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2960.1	Semi standard non polar	33892256
Vicine,5TMS,isomer #32	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3071.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #33	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3039.3	Semi standard non polar	33892256
Vicine,5TMS,isomer #34	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3076.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #35	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3044.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #36	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3115.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #37	C[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2957.1	Semi standard non polar	33892256
Vicine,5TMS,isomer #38	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O)=N1	2935.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #39	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2962.3	Semi standard non polar	33892256
Vicine,5TMS,isomer #4	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2970.3	Semi standard non polar	33892256
Vicine,5TMS,isomer #40	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2924.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2956.9	Semi standard non polar	33892256
Vicine,5TMS,isomer #42	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	3001.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #43	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2970.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #44	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2986.3	Semi standard non polar	33892256
Vicine,5TMS,isomer #45	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3038.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #46	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3006.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #47	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N[Si](C)(C)C)=N1	2970.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #48	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2921.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #49	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2959.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #5	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2940.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #50	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3024.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #51	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2990.7	Semi standard non polar	33892256
Vicine,5TMS,isomer #52	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3027.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #53	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2994.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #54	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3073.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #55	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2948.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #56	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2912.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #57	C[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2926.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #58	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3038.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #59	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3018.4	Semi standard non polar	33892256
Vicine,5TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2992.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #60	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3026.8	Semi standard non polar	33892256
Vicine,5TMS,isomer #61	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3004.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #62	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O	3077.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #63	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3026.5	Semi standard non polar	33892256
Vicine,5TMS,isomer #64	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3002.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #65	C[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C1O	3053.2	Semi standard non polar	33892256
Vicine,5TMS,isomer #66	C[Si](C)(C)OC1C(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)OC(CO)C(O)C1O	3083.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2974.0	Semi standard non polar	33892256
Vicine,5TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	2968.6	Semi standard non polar	33892256
Vicine,5TMS,isomer #9	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2931.6	Semi standard non polar	33892256
Vicine,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2961.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #1	C[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2812.2	Standard non polar	33892256
Vicine,6TMS,isomer #10	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3052.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #10	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3029.2	Standard non polar	33892256
Vicine,6TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2998.6	Semi standard non polar	33892256
Vicine,6TMS,isomer #11	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(O[Si](C)(C)C)=N1	2888.9	Standard non polar	33892256
Vicine,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2967.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2898.6	Standard non polar	33892256
Vicine,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2988.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #13	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2931.8	Standard non polar	33892256
Vicine,6TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3064.0	Semi standard non polar	33892256
Vicine,6TMS,isomer #14	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3032.3	Standard non polar	33892256
Vicine,6TMS,isomer #15	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3044.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #15	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3001.0	Standard non polar	33892256
Vicine,6TMS,isomer #16	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3057.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #16	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3048.7	Standard non polar	33892256
Vicine,6TMS,isomer #17	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3040.8	Semi standard non polar	33892256
Vicine,6TMS,isomer #17	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3019.0	Standard non polar	33892256
Vicine,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3119.0	Semi standard non polar	33892256
Vicine,6TMS,isomer #18	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O	3193.9	Standard non polar	33892256
Vicine,6TMS,isomer #19	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2973.1	Semi standard non polar	33892256
Vicine,6TMS,isomer #19	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2856.8	Standard non polar	33892256
Vicine,6TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2951.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #2	C[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2816.3	Standard non polar	33892256
Vicine,6TMS,isomer #20	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2944.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #20	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2899.4	Standard non polar	33892256
Vicine,6TMS,isomer #21	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2936.6	Semi standard non polar	33892256
Vicine,6TMS,isomer #21	C[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2871.7	Standard non polar	33892256
Vicine,6TMS,isomer #22	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3056.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #22	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2987.0	Standard non polar	33892256
Vicine,6TMS,isomer #23	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3049.8	Semi standard non polar	33892256
Vicine,6TMS,isomer #23	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2957.6	Standard non polar	33892256
Vicine,6TMS,isomer #24	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3067.6	Semi standard non polar	33892256
Vicine,6TMS,isomer #24	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3026.0	Standard non polar	33892256
Vicine,6TMS,isomer #25	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3057.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #25	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2997.8	Standard non polar	33892256
Vicine,6TMS,isomer #26	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3120.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #26	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O	3144.6	Standard non polar	33892256
Vicine,6TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3051.1	Semi standard non polar	33892256
Vicine,6TMS,isomer #27	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2991.1	Standard non polar	33892256
Vicine,6TMS,isomer #28	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3042.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #28	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2964.1	Standard non polar	33892256
Vicine,6TMS,isomer #29	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3114.1	Semi standard non polar	33892256
Vicine,6TMS,isomer #29	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O	3123.5	Standard non polar	33892256
Vicine,6TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2996.0	Semi standard non polar	33892256
Vicine,6TMS,isomer #3	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2897.3	Standard non polar	33892256
Vicine,6TMS,isomer #30	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3128.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #30	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C	3162.7	Standard non polar	33892256
Vicine,6TMS,isomer #31	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2981.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #31	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N[Si](C)(C)C)=N1	2852.2	Standard non polar	33892256
Vicine,6TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2947.0	Semi standard non polar	33892256
Vicine,6TMS,isomer #32	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2858.6	Standard non polar	33892256
Vicine,6TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2988.8	Semi standard non polar	33892256
Vicine,6TMS,isomer #33	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2903.8	Standard non polar	33892256
Vicine,6TMS,isomer #34	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3038.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #34	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2985.5	Standard non polar	33892256
Vicine,6TMS,isomer #35	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3024.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #35	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2963.0	Standard non polar	33892256
Vicine,6TMS,isomer #36	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3067.1	Semi standard non polar	33892256
Vicine,6TMS,isomer #36	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3024.8	Standard non polar	33892256
Vicine,6TMS,isomer #37	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3048.2	Semi standard non polar	33892256
Vicine,6TMS,isomer #37	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3000.4	Standard non polar	33892256
Vicine,6TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3090.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #38	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3156.0	Standard non polar	33892256
Vicine,6TMS,isomer #39	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3044.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #39	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2981.0	Standard non polar	33892256
Vicine,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2968.6	Semi standard non polar	33892256
Vicine,6TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2905.7	Standard non polar	33892256
Vicine,6TMS,isomer #40	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3027.7	Semi standard non polar	33892256
Vicine,6TMS,isomer #40	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2956.6	Standard non polar	33892256
Vicine,6TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3064.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #41	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3129.0	Standard non polar	33892256
Vicine,6TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3067.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #42	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3147.1	Standard non polar	33892256
Vicine,6TMS,isomer #43	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3010.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #43	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2945.4	Standard non polar	33892256
Vicine,6TMS,isomer #44	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3006.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #44	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2922.7	Standard non polar	33892256
Vicine,6TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3077.1	Semi standard non polar	33892256
Vicine,6TMS,isomer #45	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3130.4	Standard non polar	33892256
Vicine,6TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3061.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #46	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3085.6	Standard non polar	33892256
Vicine,6TMS,isomer #47	C[Si](C)(C)OC1C(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3064.9	Semi standard non polar	33892256
Vicine,6TMS,isomer #47	C[Si](C)(C)OC1C(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C	3092.1	Standard non polar	33892256
Vicine,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2979.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	2934.8	Standard non polar	33892256
Vicine,6TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3019.4	Semi standard non polar	33892256
Vicine,6TMS,isomer #6	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2925.6	Standard non polar	33892256
Vicine,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2996.3	Semi standard non polar	33892256
Vicine,6TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2938.9	Standard non polar	33892256
Vicine,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3011.5	Semi standard non polar	33892256
Vicine,6TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	2967.6	Standard non polar	33892256
Vicine,6TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3068.0	Semi standard non polar	33892256
Vicine,6TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3058.5	Standard non polar	33892256
Vicine,7TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	3017.9	Semi standard non polar	33892256
Vicine,7TMS,isomer #1	C[Si](C)(C)NC1=NC(N[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(O[Si](C)(C)C)=N1	2903.0	Standard non polar	33892256
Vicine,7TMS,isomer #10	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3101.4	Semi standard non polar	33892256
Vicine,7TMS,isomer #10	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2982.9	Standard non polar	33892256
Vicine,7TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3156.1	Semi standard non polar	33892256
Vicine,7TMS,isomer #11	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O	3134.7	Standard non polar	33892256
Vicine,7TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3145.5	Semi standard non polar	33892256
Vicine,7TMS,isomer #12	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O)C1O[Si](C)(C)C	3147.7	Standard non polar	33892256
Vicine,7TMS,isomer #13	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3056.1	Semi standard non polar	33892256
Vicine,7TMS,isomer #13	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2979.4	Standard non polar	33892256
Vicine,7TMS,isomer #14	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3070.0	Semi standard non polar	33892256
Vicine,7TMS,isomer #14	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2953.7	Standard non polar	33892256
Vicine,7TMS,isomer #15	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3133.9	Semi standard non polar	33892256
Vicine,7TMS,isomer #15	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3093.8	Standard non polar	33892256
Vicine,7TMS,isomer #16	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3141.8	Semi standard non polar	33892256
Vicine,7TMS,isomer #16	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3133.8	Standard non polar	33892256
Vicine,7TMS,isomer #17	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3127.6	Semi standard non polar	33892256
Vicine,7TMS,isomer #17	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3103.4	Standard non polar	33892256
Vicine,7TMS,isomer #18	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3054.2	Semi standard non polar	33892256
Vicine,7TMS,isomer #18	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2981.0	Standard non polar	33892256
Vicine,7TMS,isomer #19	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3056.0	Semi standard non polar	33892256
Vicine,7TMS,isomer #19	C[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2956.4	Standard non polar	33892256
Vicine,7TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2986.7	Semi standard non polar	33892256
Vicine,7TMS,isomer #2	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2908.4	Standard non polar	33892256
Vicine,7TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3102.9	Semi standard non polar	33892256
Vicine,7TMS,isomer #20	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3102.5	Standard non polar	33892256
Vicine,7TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3112.9	Semi standard non polar	33892256
Vicine,7TMS,isomer #21	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3134.2	Standard non polar	33892256
Vicine,7TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3103.1	Semi standard non polar	33892256
Vicine,7TMS,isomer #22	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3094.7	Standard non polar	33892256
Vicine,7TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3073.9	Semi standard non polar	33892256
Vicine,7TMS,isomer #23	C[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3066.0	Standard non polar	33892256
Vicine,7TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3042.7	Semi standard non polar	33892256
Vicine,7TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2O[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	2940.3	Standard non polar	33892256
Vicine,7TMS,isomer #4	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3091.8	Semi standard non polar	33892256
Vicine,7TMS,isomer #4	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3018.6	Standard non polar	33892256
Vicine,7TMS,isomer #5	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3099.1	Semi standard non polar	33892256
Vicine,7TMS,isomer #5	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2991.4	Standard non polar	33892256
Vicine,7TMS,isomer #6	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3110.7	Semi standard non polar	33892256
Vicine,7TMS,isomer #6	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3047.5	Standard non polar	33892256
Vicine,7TMS,isomer #7	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3112.4	Semi standard non polar	33892256
Vicine,7TMS,isomer #7	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3020.4	Standard non polar	33892256
Vicine,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3159.4	Semi standard non polar	33892256
Vicine,7TMS,isomer #8	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O	3161.7	Standard non polar	33892256
Vicine,7TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3093.6	Semi standard non polar	33892256
Vicine,7TMS,isomer #9	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3012.3	Standard non polar	33892256
Vicine,8TMS,isomer #1	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3121.2	Semi standard non polar	33892256
Vicine,8TMS,isomer #1	C[Si](C)(C)NC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(O[Si](C)(C)C)=C1OC1OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3020.5	Standard non polar	33892256
Vicine,8TMS,isomer #2	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	3132.9	Semi standard non polar	33892256
Vicine,8TMS,isomer #2	C[Si](C)(C)NC1=NC(O[Si](C)(C)C)=C(OC2OC(CO[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C2O[Si](C)(C)C)C(N([Si](C)(C)C)[Si](C)(C)C)=N1	2992.9	Standard non polar	33892256
Vicine,8TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3196.0	Semi standard non polar	33892256
Vicine,8TMS,isomer #3	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O	3125.1	Standard non polar	33892256
Vicine,8TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3192.3	Semi standard non polar	33892256
Vicine,8TMS,isomer #4	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O)C1O[Si](C)(C)C	3156.1	Standard non polar	33892256
Vicine,8TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3195.2	Semi standard non polar	33892256
Vicine,8TMS,isomer #5	C[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3114.1	Standard non polar	33892256
Vicine,8TMS,isomer #6	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3149.0	Semi standard non polar	33892256
Vicine,8TMS,isomer #6	C[Si](C)(C)OC1=NC(N([Si](C)(C)C)[Si](C)(C)C)=NC(N([Si](C)(C)C)[Si](C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3087.8	Standard non polar	33892256
Vicine,8TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3115.1	Semi standard non polar	33892256
Vicine,8TMS,isomer #7	C[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C)[Si](C)(C)C)N=C2N([Si](C)(C)C)[Si](C)(C)C)C(O[Si](C)(C)C)C(O[Si](C)(C)C)C1O[Si](C)(C)C	3095.4	Standard non polar	33892256
Vicine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O	3280.0	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O)C1O	3323.0	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O)C1O	3348.3	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(N)N=C(N)N=C2O)C1O	3341.7	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC1C(OC2=C(N)N=C(N)N=C2O)OC(CO)C(O)C1O	3346.0	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=N1	3392.0	Semi standard non polar	33892256
Vicine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O	3446.5	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3388.9	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3527.6	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O)=N1	3500.2	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3462.1	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3452.0	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3533.6	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=N1	3517.7	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1C(OC2=C(N)N=C(N)N=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3473.2	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3518.8	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	3505.9	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3537.8	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3411.8	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3521.7	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3616.1	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)N(C1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O)=N1)[Si](C)(C)C(C)(C)C	3538.9	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)N(C1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O)[Si](C)(C)C(C)(C)C	3546.8	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3413.4	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3402.3	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3461.6	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3514.6	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3448.8	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3460.5	Semi standard non polar	33892256
Vicine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3449.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3545.0	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3562.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3608.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3620.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3613.9	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3622.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3688.5	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O	3615.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3633.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3588.2	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3613.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3559.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3633.8	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3647.6	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3591.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3632.0	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	3644.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3635.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O)=N1	3652.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3674.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3610.5	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C(O)C1O	3635.6	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3548.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3582.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3630.2	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3638.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3620.8	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	3625.0	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3697.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3617.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C1O	3656.9	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3636.8	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3637.2	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3614.5	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3679.4	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3612.0	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C1O	3641.2	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3687.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3615.7	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OC1C(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)OC(CO)C(O)C1O	3651.0	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O	3717.8	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3704.6	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3601.9	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3547.5	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3560.9	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3617.1	Semi standard non polar	33892256
Vicine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3621.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3715.8	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3745.8	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #11	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3761.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3761.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3684.5	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3720.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3725.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3725.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3735.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3771.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3767.9	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3744.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #20	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3763.1	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3726.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3736.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3771.8	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3769.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3759.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3770.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #27	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3770.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #28	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3764.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	3826.1	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3757.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #30	CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3792.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3793.5	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3771.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3795.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3818.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3831.5	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3790.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #37	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3754.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #38	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3787.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3778.5	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3757.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O)=N1	3805.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #41	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3785.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3759.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3790.5	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3794.1	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #45	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3758.9	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #46	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3790.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3788.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #48	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3772.9	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #49	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3742.8	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3717.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3740.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3774.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3748.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #53	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O[Si](C)(C)C(C)(C)C)C1O	3768.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #54	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3772.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3747.2	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C1O[Si](C)(C)C(C)(C)C	3764.8	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3803.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3788.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3776.9	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3743.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #60	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3755.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC1C(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)OC(CO)C(O)C1O[Si](C)(C)C(C)(C)C	3777.6	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #62	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3803.1	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #63	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3786.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #64	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3805.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #65	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3786.0	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #66	CC(C)(C)[Si](C)(C)N(C1=NC(O)=C(OC2OC(CO)C(O)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1)[Si](C)(C)C(C)(C)C	3869.7	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3756.4	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3759.3	Semi standard non polar	33892256
Vicine,4TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3757.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N)N=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3884.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3902.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3911.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3906.6	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #13	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3926.5	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3908.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3917.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #16	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3934.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3901.7	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3898.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3837.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #2	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3877.7	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3840.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(O[Si](C)(C)C(C)(C)C)=N1	3882.7	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #22	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3886.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3879.5	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3886.6	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3896.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3884.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3930.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3925.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3882.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #3	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3899.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3891.6	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #31	CC(C)(C)[Si](C)(C)OC1=NC(N)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3882.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3924.7	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3917.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3923.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC1=NC(O[Si](C)(C)C(C)(C)C)=C(OC2OC(CO)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3914.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #36	CC(C)(C)[Si](C)(C)OC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C1OC1OC(CO)C(O)C(O)C1O	4023.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3949.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(O)=N1	3976.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #39	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3917.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3944.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #40	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3907.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3937.5	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #42	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3975.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3965.6	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #44	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3993.4	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #45	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C1O[Si](C)(C)C(C)(C)C	3930.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3920.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(N[Si](C)(C)C(C)(C)C)=N1	3927.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #48	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3915.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #49	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3944.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC1=NC(N)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3949.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C1O	3926.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O[Si](C)(C)C(C)(C)C)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3918.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #52	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3933.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #53	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3925.5	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C(O)C1O	3977.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #55	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(N[Si](C)(C)C(C)(C)C)=N1	3872.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #56	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3869.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #57	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3880.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C1O[Si](C)(C)C(C)(C)C	3916.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3903.9	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC1=NC(N[Si](C)(C)C(C)(C)C)=C(OC2OC(CO[Si](C)(C)C(C)(C)C)C(O)C(O)C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)=N1	3901.3	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3905.8	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #61	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C2O)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3894.0	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #62	CC(C)(C)[Si](C)(C)OC1C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O)C1O	3979.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #63	CC(C)(C)[Si](C)(C)NC1=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=NC(O)=C1OC1OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C1O[Si](C)(C)C(C)(C)C	3907.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #64	CC(C)(C)[Si](C)(C)NC1=NC(O)=C(OC2OC(CO)C(O)C(O[Si](C)(C)C(C)(C)C)C2O[Si](C)(C)C(C)(C)C)C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=N1	3895.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #65	CC(C)(C)[Si](C)(C)OC1C(O)C(CO)OC(OC2=C(O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C1O	3959.1	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #66	CC(C)(C)[Si](C)(C)OC1C(OC2=C(O)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)OC(CO)C(O)C1O	3975.2	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(O[Si](C)(C)C(C)(C)C)N=C(N)N=C2N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3913.7	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OCC1OC(OC2=C(N)N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N=C2O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O)C1O	3930.5	Semi standard non polar	33892256
Vicine,5TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC1=NC(N)=NC(O[Si](C)(C)C(C)(C)C)=C1OC1OC(CO[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C(O[Si](C)(C)C(C)(C)C)C1O	3886.5	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (Non-derivatized) - 70eV, Positive	splash10-059i-9480000000-b4c74785c0808ac426cc	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (5 TMS) - 70eV, Positive	splash10-0udj-2111139000-ec1252d8f2d1aee645f0	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_3_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_4_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_4_2) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_4_11) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_4_60) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_1) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_7) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_8) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_12) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_15) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_31) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_40) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS (TBDMS_5_56) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Vicine GC-MS ("Vicine,3TBDMS,#1" TMS) - 70eV, Positive	Not Available	2021-10-14	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 10V, Positive-QTOF	splash10-052f-0934000000-d2db7f8449c80dcd17ca	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 20V, Positive-QTOF	splash10-0006-1900000000-aa46238ed94c7f1a6164	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 40V, Positive-QTOF	splash10-000i-9200000000-aa4fe3397494c3678004	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 10V, Negative-QTOF	splash10-0udi-5869000000-1df076f08e315437195e	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 20V, Negative-QTOF	splash10-0006-9420000000-432d49c3d52123462a54	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 40V, Negative-QTOF	splash10-0006-9200000000-7103402117cf2f791250	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 10V, Negative-QTOF	splash10-0udi-1429000000-a855d3f5d38d49d04a51	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 20V, Negative-QTOF	splash10-0006-6691000000-302a4722b22d2bfff092	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 40V, Negative-QTOF	splash10-006x-9500000000-817cc1627c10a3e04dac	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 10V, Positive-QTOF	splash10-0a4i-0209000000-5aa3b6665a79b617e9e1	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 20V, Positive-QTOF	splash10-052u-0794000000-af94a0739ed52c229072	2021-09-24	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Vicine 40V, Positive-QTOF	splash10-0006-2910000000-718dbe3a1436dcaa788d	2021-09-24	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Not Available

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Vicine

METLIN ID

Not Available

PubChem Compound

261944

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

(). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .

Showing metabocard for Vicine (HMDB0034073)

MOL for HMDB0034073 (Vicine)

3D MOL for HMDB0034073 (Vicine)

3D SDF for HMDB0034073 (Vicine)

3D-SDF for HMDB0034073 (Vicine)

PDB for HMDB0034073 (Vicine)

3D PDB for HMDB0034073 (Vicine)

SMILES for HMDB0034073 (Vicine)

INCHI for HMDB0034073 (Vicine)

Structure for HMDB0034073 (Vicine)

3D Structure for HMDB0034073 (Vicine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra