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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:50 UTC

Update Date

2022-03-07 02:51:42 UTC

HMDB ID

HMDB0014698

Secondary Accession Numbers

HMDB14698

Metabolite Identification

Common Name

Zanamivir

Description

Zanamivir is only found in individuals that have used or taken this drug. It is a guanido-neuraminic acid that is used to inhibit neuraminidase. [PubChem]The proposed mechanism of action of zanamivir is via inhibition of influenza virus neuraminidase with the possibility of alteration of virus particle aggregation and release. By binding and inhibiting the neuraminidase protein, the drug renders the influenza virus unable to escape its host cell and infect others.

Structure

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

HMDB0014698
     RDKit          3D
Zanamivir
 43 43  0  0  0  0  0  0  0  0999 V2000
   -0.7037    4.2113   -1.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    2.7443   -1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    2.0726   -2.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    2.0476    0.1673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.6187    0.2705 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5448    0.2553    1.3027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8482    0.6001    0.7918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756   -0.0201   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7514    0.4127   -0.5291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053   -1.1633   -0.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497   -1.1264    1.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.8535    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -3.2486    2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778   -3.7583    2.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858   -4.0206    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735   -1.3328    0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.0231    0.5686 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7231    0.3415   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2568   -0.2181   -1.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    0.0029   -0.3902 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8846    0.5329   -1.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -1.5106   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382   -1.8197   -0.4416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    4.5580   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    4.6424   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    4.6991   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801    2.5938    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    0.1903   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    0.9130    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4747   -0.2513   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0728    1.4129   -0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291   -2.0695   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -1.1262   -1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670   -1.5592    2.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -4.3519    2.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    0.5151    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319    1.4598   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.3011   -2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    0.4130    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    0.0166   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026   -1.8565   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -2.0376    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993   -2.2537    0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 17  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  6
  6 29  1  1
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 15 35  1  0
 17 36  1  1
 18 37  1  6
 19 38  1  0
 20 39  1  1
 21 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
M  END

558
  Mrv0541 02231214462D          

 24 24  0  0  1  0            999 V2000
    4.9509   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2365    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5220   -0.5693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0930    0.2558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    1.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799   -2.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509   -2.2193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655    1.4933    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0944    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5234    0.6683    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089   -0.5693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9509    0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6655    0.6683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2365    0.6683    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3799    0.2558    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5220    0.2558    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3799   -0.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -0.9818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8075    0.6683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    1.9058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6655   -1.8068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8089    0.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799    2.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3794   -0.0743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 18  1  0  0  0  0
 14  2  1  1  0  0  0
 16  3  1  6  0  0  0
  4 19  1  0  0  0  0
  5 20  2  0  0  0  0
  6 21  1  0  0  0  0
  7 21  2  0  0  0  0
 13  8  1  6  0  0  0
  8 20  1  0  0  0  0
 15  9  1  1  0  0  0
  9 22  2  0  0  0  0
 10 22  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  6  0  0  0
 13 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  2  0  0  0  0
 18 21  1  0  0  0  0
 20 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0014698

> <DATABASE_NAME>
hmdb

> <SMILES>
[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO

> <INCHI_IDENTIFIER>
InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1

> <INCHI_KEY>
ARAIBEBZBOPLMB-UFGQHTETSA-N

> <FORMULA>
C12H20N4O7

> <MOLECULAR_WEIGHT>
332.3098

> <EXACT_MASS>
332.133199014

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
31.239618997916516

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2R,3R,4S)-4-[(diaminomethylidene)amino]-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

> <ALOGPS_LOGP>
-2.30

> <JCHEM_LOGP>
-5.827718904459089

> <ALOGPS_LOGS>
-1.66

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
12.792990691849301

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.253616213833814

> <JCHEM_PKA_STRONGEST_BASIC>
11.933899630682804

> <JCHEM_POLAR_SURFACE_AREA>
200.72000000000003

> <JCHEM_REFRACTIVITY>
76.19000000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
6

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.31e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
zanamivir

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0014698
     RDKit          3D
Zanamivir
 43 43  0  0  0  0  0  0  0  0999 V2000
   -0.7037    4.2113   -1.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    2.7443   -1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    2.0726   -2.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    2.0476    0.1673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.6187    0.2705 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5448    0.2553    1.3027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8482    0.6001    0.7918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756   -0.0201   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7514    0.4127   -0.5291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053   -1.1633   -0.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497   -1.1264    1.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.8535    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -3.2486    2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778   -3.7583    2.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858   -4.0206    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735   -1.3328    0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.0231    0.5686 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7231    0.3415   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2568   -0.2181   -1.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    0.0029   -0.3902 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8846    0.5329   -1.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -1.5106   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382   -1.8197   -0.4416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    4.5580   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    4.6424   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    4.6991   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801    2.5938    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    0.1903   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    0.9130    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4747   -0.2513   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0728    1.4129   -0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291   -2.0695   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -1.1262   -1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670   -1.5592    2.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -4.3519    2.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    0.5151    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319    1.4598   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.3011   -2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    0.4130    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    0.0166   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026   -1.8565   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -2.0376    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993   -2.2537    0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 17  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  6
  6 29  1  1
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 15 35  1  0
 17 36  1  1
 18 37  1  6
 19 38  1  0
 20 39  1  1
 21 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 558                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       9.242  -1.063   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0       7.908   2.787   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0       6.574  -1.063   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0       3.907   0.477   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0      13.243   2.787   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0      11.909  -4.143   0.000  0.00  0.00           O+0
HETATM    7  O   UNK     0       9.242  -4.143   0.000  0.00  0.00           O+0
HETATM    8  N   UNK     0      10.576   2.787   0.000  0.00  0.00           N+0
HETATM    9  N   UNK     0      13.243   1.247   0.000  0.00  0.00           N+0
HETATM   10  N   UNK     0      15.910   1.247   0.000  0.00  0.00           N+0
HETATM   11  N   UNK     0      14.577  -1.063   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       9.242   0.477   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.576   1.247   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       7.908   1.247   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      11.909   0.477   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.574   0.477   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      11.909  -1.063   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.576  -1.833   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.241   1.247   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      11.909   3.557   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      10.576  -3.373   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      14.577   0.477   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      11.909   5.097   0.000  0.00  0.00           C+0
HETATM   24  H   UNK     0       8.175  -0.139   0.000  0.00  0.00           H+0
CONECT    1   12   18                                                       
CONECT    2   14                                                            
CONECT    3   16                                                            
CONECT    4   19                                                            
CONECT    5   20                                                            
CONECT    6   21                                                            
CONECT    7   21                                                            
CONECT    8   13   20                                                       
CONECT    9   15   22                                                       
CONECT   10   22                                                            
CONECT   11   22                                                            
CONECT   12    1   13   14   24                                             
CONECT   13    8   12   15                                                  
CONECT   14    2   12   16                                                  
CONECT   15    9   13   17                                                  
CONECT   16    3   14   19                                                  
CONECT   17   15   18                                                       
CONECT   18    1   17   21                                                  
CONECT   19    4   16                                                       
CONECT   20    5    8   23                                                  
CONECT   21    6    7   18                                                  
CONECT   22    9   10   11                                                  
CONECT   23   20                                                            
CONECT   24   12                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   48    0
END

COMPND    HMDB0014698
HETATM    1  C1  UNL     1      -0.704   4.211  -1.154  1.00  0.00           C  
HETATM    2  C2  UNL     1      -0.769   2.744  -1.043  1.00  0.00           C  
HETATM    3  O1  UNL     1      -1.101   2.073  -2.041  1.00  0.00           O  
HETATM    4  N1  UNL     1      -0.466   2.048   0.167  1.00  0.00           N  
HETATM    5  C3  UNL     1      -0.530   0.619   0.271  1.00  0.00           C  
HETATM    6  C4  UNL     1      -1.545   0.255   1.303  1.00  0.00           C  
HETATM    7  N2  UNL     1      -2.848   0.600   0.792  1.00  0.00           N  
HETATM    8  C5  UNL     1      -3.476  -0.020  -0.108  1.00  0.00           C  
HETATM    9  N3  UNL     1      -4.751   0.413  -0.529  1.00  0.00           N  
HETATM   10  N4  UNL     1      -2.905  -1.163  -0.710  1.00  0.00           N  
HETATM   11  C6  UNL     1      -1.450  -1.126   1.777  1.00  0.00           C  
HETATM   12  C7  UNL     1      -0.378  -1.854   1.542  1.00  0.00           C  
HETATM   13  C8  UNL     1      -0.335  -3.249   2.047  1.00  0.00           C  
HETATM   14  O2  UNL     1      -1.278  -3.758   2.686  1.00  0.00           O  
HETATM   15  O3  UNL     1       0.786  -4.021   1.805  1.00  0.00           O  
HETATM   16  O4  UNL     1       0.673  -1.333   0.847  1.00  0.00           O  
HETATM   17  C9  UNL     1       0.834   0.023   0.569  1.00  0.00           C  
HETATM   18  C10 UNL     1       1.723   0.341  -0.583  1.00  0.00           C  
HETATM   19  O5  UNL     1       1.257  -0.218  -1.759  1.00  0.00           O  
HETATM   20  C11 UNL     1       3.171   0.003  -0.390  1.00  0.00           C  
HETATM   21  O6  UNL     1       3.885   0.533  -1.492  1.00  0.00           O  
HETATM   22  C12 UNL     1       3.379  -1.511  -0.506  1.00  0.00           C  
HETATM   23  O7  UNL     1       4.738  -1.820  -0.442  1.00  0.00           O  
HETATM   24  H1  UNL     1      -0.320   4.558  -2.138  1.00  0.00           H  
HETATM   25  H2  UNL     1      -0.004   4.642  -0.386  1.00  0.00           H  
HETATM   26  H3  UNL     1      -1.698   4.699  -1.017  1.00  0.00           H  
HETATM   27  H4  UNL     1      -0.180   2.594   1.033  1.00  0.00           H  
HETATM   28  H5  UNL     1      -0.842   0.190  -0.710  1.00  0.00           H  
HETATM   29  H6  UNL     1      -1.395   0.913   2.210  1.00  0.00           H  
HETATM   30  H7  UNL     1      -5.475  -0.251  -0.933  1.00  0.00           H  
HETATM   31  H8  UNL     1      -5.073   1.413  -0.473  1.00  0.00           H  
HETATM   32  H9  UNL     1      -2.729  -2.070  -0.228  1.00  0.00           H  
HETATM   33  H10 UNL     1      -2.628  -1.126  -1.721  1.00  0.00           H  
HETATM   34  H11 UNL     1      -2.267  -1.559   2.328  1.00  0.00           H  
HETATM   35  H12 UNL     1       1.336  -4.352   2.589  1.00  0.00           H  
HETATM   36  H13 UNL     1       1.173   0.515   1.513  1.00  0.00           H  
HETATM   37  H14 UNL     1       1.632   1.460  -0.741  1.00  0.00           H  
HETATM   38  H15 UNL     1       1.483   0.301  -2.569  1.00  0.00           H  
HETATM   39  H16 UNL     1       3.627   0.413   0.507  1.00  0.00           H  
HETATM   40  H17 UNL     1       4.731   0.017  -1.532  1.00  0.00           H  
HETATM   41  H18 UNL     1       3.003  -1.857  -1.486  1.00  0.00           H  
HETATM   42  H19 UNL     1       2.817  -2.038   0.284  1.00  0.00           H  
HETATM   43  H20 UNL     1       4.899  -2.254   0.423  1.00  0.00           H  
CONECT    1    2   24   25   26
CONECT    2    3    3    4
CONECT    4    5   27
CONECT    5    6   17   28
CONECT    6    7   11   29
CONECT    7    8    8
CONECT    8    9   10
CONECT    9   30   31
CONECT   10   32   33
CONECT   11   12   12   34
CONECT   12   13   16
CONECT   13   14   14   15
CONECT   15   35
CONECT   16   17
CONECT   17   18   36
CONECT   18   19   20   37
CONECT   19   38
CONECT   20   21   22   39
CONECT   21   40
CONECT   22   23   41   42
CONECT   23   43
END

HMDB0014698
     RDKit          3D
Zanamivir
 43 43  0  0  0  0  0  0  0  0999 V2000
   -0.7037    4.2113   -1.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    2.7443   -1.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1007    2.0726   -2.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4657    2.0476    0.1673 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5304    0.6187    0.2705 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5448    0.2553    1.3027 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8482    0.6001    0.7918 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4756   -0.0201   -0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7514    0.4127   -0.5291 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9053   -1.1633   -0.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4497   -1.1264    1.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3784   -1.8535    1.5425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3354   -3.2486    2.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2778   -3.7583    2.6855 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7858   -4.0206    1.8053 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6735   -1.3328    0.8474 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8336    0.0231    0.5686 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7231    0.3415   -0.5829 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2568   -0.2181   -1.7593 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1709    0.0029   -0.3902 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8846    0.5329   -1.4918 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3789   -1.5106   -0.5057 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7382   -1.8197   -0.4416 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3200    4.5580   -2.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0037    4.6424   -0.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6978    4.6991   -1.0172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1801    2.5938    1.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8425    0.1903   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3954    0.9130    2.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4747   -0.2513   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0728    1.4129   -0.4733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7291   -2.0695   -0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6277   -1.1262   -1.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2670   -1.5592    2.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3361   -4.3519    2.5885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    0.5151    1.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319    1.4598   -0.7406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4831    0.3011   -2.5689 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6270    0.4130    0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312    0.0166   -1.5322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0026   -1.8565   -1.4857 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8173   -2.0376    0.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8993   -2.2537    0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  6 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 20 21  1  0
 20 22  1  0
 22 23  1  0
 17  5  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  4 27  1  0
  5 28  1  6
  6 29  1  1
  9 30  1  0
  9 31  1  0
 10 32  1  0
 10 33  1  0
 11 34  1  0
 15 35  1  0
 17 36  1  1
 18 37  1  6
 19 38  1  0
 20 39  1  1
 21 40  1  0
 22 41  1  0
 22 42  1  0
 23 43  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
(2R,3R,4S)-3-(Acetylamino)-4-carbamimidamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid	ChEBI
4-Guanidino-2,4-dideoxy-2,3-dehydro-N-acetylneuraminic acid	ChEBI
4-Guanidino-neu5ac2En	ChEBI
5-(Acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid	ChEBI
5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-guanidino-D-glycero-D-galacto-non-2-enonic acid	ChEBI
GANA	ChEBI
Relenza	ChEBI
(2R,3R,4S)-3-(Acetylamino)-4-carbamimidamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylate	Generator
4-Guanidino-2,4-dideoxy-2,3-dehydro-N-acetylneuraminate	Generator
5-(Acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonate	Generator
5-Acetamido-2,6-anhydro-3,4,5-trideoxy-4-guanidino-D-glycero-D-galacto-non-2-enonate	Generator
GNA	HMDB
Modified sialic acid	HMDB
Zanamavir	HMDB
ZMR	HMDB
Biota brand OF zanamivir	HMDB
Zanamivir glaxosmithkline brand	HMDB
2,3-Didehydro-2,4-dideoxy-4-guanidinyl-N-acetylneuraminic acid	HMDB
4 Guanidino neu5ac2En	HMDB
4-Guanidino-2,4-dideoxy-2,3-didehydro-N-acetylneuraminic acid	HMDB
4-Guanidino-2-deoxy-2,3-didehydro-N-acetylneuraminic acid	HMDB
5-Acetylamino-2,6-anhydro-4-guanidino-3,4,5-trideoxy-D-galacto-non-enoic acid	HMDB
Glaxo wellcome brand OF zanamivir	HMDB
4 Guanidino 2 deoxy 2,3 didehydro N acetylneuraminic acid	HMDB
Acid, 4-guanidino-2-deoxy-2,3-didehydro-N-acetylneuraminic	HMDB
Zanamivir biota brand	HMDB
2,3-Didehydro-2,4-dideoxy-4-guanidino-N-acetyl-D-neuraminic acid	HMDB
GlaxoSmithKline brand OF zanamivir	HMDB

Chemical Formula

C₁₂H₂₀N₄O₇

Average Molecular Weight

332.3098

Monoisotopic Molecular Weight

332.133199014

IUPAC Name

(2R,3R,4S)-4-[(diaminomethylidene)amino]-3-acetamido-2-[(1R,2R)-1,2,3-trihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Traditional Name

zanamivir

CAS Registry Number

139110-80-8

SMILES

[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO

InChI Identifier

InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1

InChI Key

ARAIBEBZBOPLMB-UFGQHTETSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl group.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Carboxylic acid derivatives

Direct Parent

Acetamides

Alternative Parents

Substituents

Acetamide
Guanidine
Secondary alcohol
Secondary carboxylic acid amide
Carboxylic acid
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Organic 1,3-dipolar compound
Propargyl-type 1,3-dipolar organic compound
Carboximidamide
Polyol
Organic oxygen compound
Primary alcohol
Carbonyl group
Organooxygen compound
Organonitrogen compound
Organic nitrogen compound
Alcohol
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

guanidines (CHEBI:50663 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Cellular substructure

Source

Exogenous

Exogenous (HMDB: HMDB0014698)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	7.31 g/L	Not Available
LogP	-3	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	7.31 g/L	ALOGPS
logP	-2.3	ALOGPS
logP	-5.8	ChemAxon
logS	-1.7	ALOGPS
pKa (Strongest Acidic)	3.25	ChemAxon
pKa (Strongest Basic)	11.93	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	200.72 Å²	ChemAxon
Rotatable Bond Count	6	ChemAxon
Refractivity	76.19 m³·mol⁻¹	ChemAxon
Polarizability	31.24 Å³	ChemAxon
Number of Rings	1	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]+	176.694	31661259
DarkChem	[M-H]-	169.863	31661259
DeepCCS	[M+H]+	179.366	30932474
DeepCCS	[M-H]-	176.971	30932474
DeepCCS	[M-2H]-	210.184	30932474
DeepCCS	[M+Na]+	185.786	30932474
AllCCS	[M+H]+	175.3	32859911
AllCCS	[M+H-H2O]+	172.3	32859911
AllCCS	[M+NH4]+	178.1	32859911
AllCCS	[M+Na]+	178.9	32859911
AllCCS	[M-H]-	173.4	32859911
AllCCS	[M+Na-2H]-	173.4	32859911
AllCCS	[M+HCOO]-	173.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Zanamivir	[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	4051.1	Standard polar	33892256
Zanamivir	[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	2783.7	Standard non polar	33892256
Zanamivir	[H][C@]1(OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O)[C@H](O)[C@H](O)CO	3353.9	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Zanamivir,1TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	2852.9	Semi standard non polar	33892256
Zanamivir,1TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2913.1	Semi standard non polar	33892256
Zanamivir,1TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2918.4	Semi standard non polar	33892256
Zanamivir,1TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2924.2	Semi standard non polar	33892256
Zanamivir,1TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3063.8	Semi standard non polar	33892256
Zanamivir,1TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2869.1	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2843.8	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2899.2	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3047.6	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2848.6	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3060.2	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2853.1	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #15	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3183.6	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2980.9	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #17	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3096.4	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2846.4	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2851.2	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3000.7	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2790.4	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2888.2	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2888.8	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3047.4	Semi standard non polar	33892256
Zanamivir,2TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2850.4	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2856.4	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3118.2	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2917.4	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3023.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2867.1	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3011.1	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2838.9	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3015.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2834.7	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3171.6	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2972.6	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2848.5	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #20	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3062.6	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3020.3	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2848.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3154.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2977.3	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3072.7	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3177.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2984.0	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #28	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3079.9	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3099.6	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2973.2	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3169.2	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3030.5	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2808.5	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2855.7	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2965.4	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2814.4	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2974.6	Semi standard non polar	33892256
Zanamivir,3TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2802.0	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2849.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2811.6	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3074.6	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2913.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3025.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3084.5	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2898.6	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3013.8	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3005.4	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3031.5	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2973.8	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2950.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #20	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2974.0	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2843.0	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3088.8	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2940.5	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3035.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3096.2	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #26	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2930.2	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3038.0	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3054.3	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3111.9	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2820.3	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3000.2	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #31	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3095.3	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2944.3	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3039.9	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3054.4	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3120.8	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3017.2	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3056.6	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #38	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3120.5	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3015.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2936.8	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #40	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3049.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #41	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3208.3	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #5	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2816.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3104.7	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2912.9	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3021.2	Semi standard non polar	33892256
Zanamivir,4TMS,isomer #9	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2944.1	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2918.2	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2746.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4968.4	Standard polar	33892256
Zanamivir,5TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3052.2	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	2863.6	Standard non polar	33892256
Zanamivir,5TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	4439.7	Standard polar	33892256
Zanamivir,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2981.5	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2918.3	Standard non polar	33892256
Zanamivir,5TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4831.6	Standard polar	33892256
Zanamivir,5TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3054.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2747.8	Standard non polar	33892256
Zanamivir,5TMS,isomer #12	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4564.7	Standard polar	33892256
Zanamivir,5TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2893.1	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2781.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4840.4	Standard polar	33892256
Zanamivir,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2974.1	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2854.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4884.2	Standard polar	33892256
Zanamivir,5TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3017.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2748.2	Standard non polar	33892256
Zanamivir,5TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4388.1	Standard polar	33892256
Zanamivir,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3038.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	2860.6	Standard non polar	33892256
Zanamivir,5TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	4376.8	Standard polar	33892256
Zanamivir,5TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2980.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2901.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4796.1	Standard polar	33892256
Zanamivir,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3015.1	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2772.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #18	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4437.5	Standard polar	33892256
Zanamivir,5TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3031.5	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	2878.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #19	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	4424.1	Standard polar	33892256
Zanamivir,5TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2843.2	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2830.2	Standard non polar	33892256
Zanamivir,5TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	5103.3	Standard polar	33892256
Zanamivir,5TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2977.2	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2924.7	Standard non polar	33892256
Zanamivir,5TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4841.5	Standard polar	33892256
Zanamivir,5TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2998.4	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	2921.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #21	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	4330.9	Standard polar	33892256
Zanamivir,5TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3095.7	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3037.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #22	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	4307.1	Standard polar	33892256
Zanamivir,5TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3060.0	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2775.2	Standard non polar	33892256
Zanamivir,5TMS,isomer #23	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4630.8	Standard polar	33892256
Zanamivir,5TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2940.0	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2819.7	Standard non polar	33892256
Zanamivir,5TMS,isomer #24	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4955.1	Standard polar	33892256
Zanamivir,5TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3010.1	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2884.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4985.2	Standard polar	33892256
Zanamivir,5TMS,isomer #26	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3025.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #26	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2788.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #26	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4474.1	Standard polar	33892256
Zanamivir,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3067.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2900.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #27	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4449.4	Standard polar	33892256
Zanamivir,5TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2997.9	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2940.5	Standard non polar	33892256
Zanamivir,5TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4903.3	Standard polar	33892256
Zanamivir,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3023.3	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2810.3	Standard non polar	33892256
Zanamivir,5TMS,isomer #29	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4479.2	Standard polar	33892256
Zanamivir,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3055.3	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2734.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4569.6	Standard polar	33892256
Zanamivir,5TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3068.0	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2917.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #30	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4452.9	Standard polar	33892256
Zanamivir,5TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2993.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2964.9	Standard non polar	33892256
Zanamivir,5TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4891.6	Standard polar	33892256
Zanamivir,5TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3039.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2969.8	Standard non polar	33892256
Zanamivir,5TMS,isomer #32	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4391.5	Standard polar	33892256
Zanamivir,5TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3149.0	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3090.7	Standard non polar	33892256
Zanamivir,5TMS,isomer #33	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	4353.7	Standard polar	33892256
Zanamivir,5TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3022.5	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2793.6	Standard non polar	33892256
Zanamivir,5TMS,isomer #34	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4516.8	Standard polar	33892256
Zanamivir,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3051.4	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2917.1	Standard non polar	33892256
Zanamivir,5TMS,isomer #35	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4489.5	Standard polar	33892256
Zanamivir,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2996.5	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2954.7	Standard non polar	33892256
Zanamivir,5TMS,isomer #36	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4928.6	Standard polar	33892256
Zanamivir,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3050.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2957.8	Standard non polar	33892256
Zanamivir,5TMS,isomer #37	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4373.1	Standard polar	33892256
Zanamivir,5TMS,isomer #38	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3162.4	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #38	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3091.5	Standard non polar	33892256
Zanamivir,5TMS,isomer #38	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	4334.2	Standard polar	33892256
Zanamivir,5TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3046.3	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2981.1	Standard non polar	33892256
Zanamivir,5TMS,isomer #39	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4423.8	Standard polar	33892256
Zanamivir,5TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2909.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2780.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4825.6	Standard polar	33892256
Zanamivir,5TMS,isomer #40	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3157.8	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #40	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3117.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #40	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	4384.5	Standard polar	33892256
Zanamivir,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3101.5	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3178.8	Standard non polar	33892256
Zanamivir,5TMS,isomer #41	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	4338.7	Standard polar	33892256
Zanamivir,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2997.7	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2839.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4890.4	Standard polar	33892256
Zanamivir,5TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3059.9	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2749.4	Standard non polar	33892256
Zanamivir,5TMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4573.9	Standard polar	33892256
Zanamivir,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2902.6	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2798.8	Standard non polar	33892256
Zanamivir,5TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4812.7	Standard polar	33892256
Zanamivir,5TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2997.3	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2855.2	Standard non polar	33892256
Zanamivir,5TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4876.6	Standard polar	33892256
Zanamivir,5TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3034.2	Semi standard non polar	33892256
Zanamivir,5TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2770.0	Standard non polar	33892256
Zanamivir,5TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4416.0	Standard polar	33892256
Zanamivir,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3042.5	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2773.4	Standard non polar	33892256
Zanamivir,6TMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4333.1	Standard polar	33892256
Zanamivir,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3042.7	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	2941.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #10	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4030.9	Standard polar	33892256
Zanamivir,6TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3107.7	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	3024.9	Standard non polar	33892256
Zanamivir,6TMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO	4032.6	Standard polar	33892256
Zanamivir,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3013.2	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2778.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4143.5	Standard polar	33892256
Zanamivir,6TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3012.2	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2878.7	Standard non polar	33892256
Zanamivir,6TMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4129.5	Standard polar	33892256
Zanamivir,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2970.5	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2914.5	Standard non polar	33892256
Zanamivir,6TMS,isomer #14	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4653.3	Standard polar	33892256
Zanamivir,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3037.4	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2923.1	Standard non polar	33892256
Zanamivir,6TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3997.7	Standard polar	33892256
Zanamivir,6TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3101.2	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3021.0	Standard non polar	33892256
Zanamivir,6TMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C	3960.5	Standard polar	33892256
Zanamivir,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3031.0	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2939.0	Standard non polar	33892256
Zanamivir,6TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4050.7	Standard polar	33892256
Zanamivir,6TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3099.7	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	3036.7	Standard non polar	33892256
Zanamivir,6TMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C	4012.7	Standard polar	33892256
Zanamivir,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3073.8	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3101.1	Standard non polar	33892256
Zanamivir,6TMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C	3952.9	Standard polar	33892256
Zanamivir,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2938.9	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2796.2	Standard non polar	33892256
Zanamivir,6TMS,isomer #2	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4700.4	Standard polar	33892256
Zanamivir,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3031.9	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2820.0	Standard non polar	33892256
Zanamivir,6TMS,isomer #20	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4220.5	Standard polar	33892256
Zanamivir,6TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3049.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2916.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #21	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4195.6	Standard polar	33892256
Zanamivir,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3013.2	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2955.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #22	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4768.1	Standard polar	33892256
Zanamivir,6TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3055.7	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2967.7	Standard non polar	33892256
Zanamivir,6TMS,isomer #23	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4089.6	Standard polar	33892256
Zanamivir,6TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3118.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3070.9	Standard non polar	33892256
Zanamivir,6TMS,isomer #24	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4038.2	Standard polar	33892256
Zanamivir,6TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3047.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2988.4	Standard non polar	33892256
Zanamivir,6TMS,isomer #25	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4096.8	Standard polar	33892256
Zanamivir,6TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3119.0	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3088.4	Standard non polar	33892256
Zanamivir,6TMS,isomer #26	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4047.0	Standard polar	33892256
Zanamivir,6TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3103.0	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3163.7	Standard non polar	33892256
Zanamivir,6TMS,isomer #27	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	4024.4	Standard polar	33892256
Zanamivir,6TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3046.4	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2971.3	Standard non polar	33892256
Zanamivir,6TMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4129.8	Standard polar	33892256
Zanamivir,6TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3110.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3087.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #29	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4079.2	Standard polar	33892256
Zanamivir,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3001.0	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2856.4	Standard non polar	33892256
Zanamivir,6TMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	4767.7	Standard polar	33892256
Zanamivir,6TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3109.7	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3157.2	Standard non polar	33892256
Zanamivir,6TMS,isomer #30	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4005.2	Standard polar	33892256
Zanamivir,6TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3115.8	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3170.5	Standard non polar	33892256
Zanamivir,6TMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4052.6	Standard polar	33892256
Zanamivir,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3022.1	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2783.6	Standard non polar	33892256
Zanamivir,6TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4114.9	Standard polar	33892256
Zanamivir,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3039.5	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	2871.6	Standard non polar	33892256
Zanamivir,6TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	4139.4	Standard polar	33892256
Zanamivir,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3001.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2912.6	Standard non polar	33892256
Zanamivir,6TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	4643.5	Standard polar	33892256
Zanamivir,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3019.3	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2798.8	Standard non polar	33892256
Zanamivir,6TMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4121.5	Standard polar	33892256
Zanamivir,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3032.6	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	2885.4	Standard non polar	33892256
Zanamivir,6TMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	4147.9	Standard polar	33892256
Zanamivir,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2989.6	Semi standard non polar	33892256
Zanamivir,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2931.0	Standard non polar	33892256
Zanamivir,6TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	4632.2	Standard polar	33892256
Zanamivir,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3055.1	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2818.9	Standard non polar	33892256
Zanamivir,7TMS,isomer #1	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3907.9	Standard polar	33892256
Zanamivir,7TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3100.9	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3025.4	Standard non polar	33892256
Zanamivir,7TMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3736.8	Standard polar	33892256
Zanamivir,7TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3098.3	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3091.5	Standard non polar	33892256
Zanamivir,7TMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3649.1	Standard polar	33892256
Zanamivir,7TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3094.3	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3098.1	Standard non polar	33892256
Zanamivir,7TMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3689.1	Standard polar	33892256
Zanamivir,7TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3083.6	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2986.0	Standard non polar	33892256
Zanamivir,7TMS,isomer #13	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3852.9	Standard polar	33892256
Zanamivir,7TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3119.5	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3070.8	Standard non polar	33892256
Zanamivir,7TMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3799.3	Standard polar	33892256
Zanamivir,7TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3121.5	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3144.1	Standard non polar	33892256
Zanamivir,7TMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3733.6	Standard polar	33892256
Zanamivir,7TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3117.9	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3163.5	Standard non polar	33892256
Zanamivir,7TMS,isomer #16	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3742.5	Standard polar	33892256
Zanamivir,7TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3113.4	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3146.2	Standard non polar	33892256
Zanamivir,7TMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3769.2	Standard polar	33892256
Zanamivir,7TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3068.0	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	2897.2	Standard non polar	33892256
Zanamivir,7TMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C	3939.9	Standard polar	33892256
Zanamivir,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3036.1	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2930.0	Standard non polar	33892256
Zanamivir,7TMS,isomer #3	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	4545.8	Standard polar	33892256
Zanamivir,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3072.0	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	2950.2	Standard non polar	33892256
Zanamivir,7TMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C)[Si](C)(C)C	3742.7	Standard polar	33892256
Zanamivir,7TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3119.5	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3021.6	Standard non polar	33892256
Zanamivir,7TMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@@H](CO)O[Si](C)(C)C	3745.9	Standard polar	33892256
Zanamivir,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3063.7	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	2964.6	Standard non polar	33892256
Zanamivir,7TMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C)[Si](C)(C)C	3756.9	Standard polar	33892256
Zanamivir,7TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3119.0	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3034.2	Standard non polar	33892256
Zanamivir,7TMS,isomer #7	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO[Si](C)(C)C	3758.7	Standard polar	33892256
Zanamivir,7TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3098.7	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3104.0	Standard non polar	33892256
Zanamivir,7TMS,isomer #8	CC(=O)N([C@@H]1[C@@H](N=C(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C)[C@H](O)CO)[Si](C)(C)C	3673.9	Standard polar	33892256
Zanamivir,7TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3049.5	Semi standard non polar	33892256
Zanamivir,7TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	2943.2	Standard non polar	33892256
Zanamivir,7TMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C(C(=O)O[Si](C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C)O[Si](C)(C)C)[Si](C)(C)C	3771.9	Standard polar	33892256
Zanamivir,1TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3128.3	Semi standard non polar	33892256
Zanamivir,1TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3175.4	Semi standard non polar	33892256
Zanamivir,1TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3175.8	Semi standard non polar	33892256
Zanamivir,1TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3189.4	Semi standard non polar	33892256
Zanamivir,1TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3293.2	Semi standard non polar	33892256
Zanamivir,1TBDMS,isomer #6	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3094.0	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3354.2	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3378.6	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3497.2	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3314.2	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3512.2	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #14	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3315.2	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #15	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3636.4	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #16	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3398.4	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #17	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3531.4	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3347.5	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3357.5	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3457.1	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #5	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3258.3	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3377.4	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #7	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3386.7	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3494.7	Semi standard non polar	33892256
Zanamivir,2TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3302.0	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3537.4	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #10	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3763.4	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #11	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3552.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #12	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3670.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3573.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3669.9	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3517.7	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3687.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3516.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3799.7	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3607.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3544.0	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #20	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3712.9	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #21	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3675.7	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #22	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3525.7	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #23	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3807.4	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #24	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3620.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3713.2	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #26	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3822.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #27	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3619.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #28	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3720.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #29	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3714.4	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #3	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3643.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #30	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3778.5	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #31	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3635.3	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #4	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3480.5	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #5	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3527.2	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3633.3	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3470.1	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3650.8	Semi standard non polar	33892256
Zanamivir,3TBDMS,isomer #9	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3478.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #1	CC(=O)N[C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3741.2	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #10	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3654.4	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #11	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3923.0	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #12	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3744.5	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #13	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3822.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #14	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3931.3	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #15	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3756.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #16	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3833.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #17	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3829.3	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #18	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO	3873.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #19	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3800.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #2	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3809.9	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #20	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3858.7	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #21	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3714.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #22	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3936.4	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #23	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3793.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #24	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3864.5	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #25	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3958.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #26	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3795.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #27	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3871.2	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #28	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3873.9	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #29	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3919.4	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #3	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3664.5	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #30	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3828.0	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #31	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3948.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #32	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3797.7	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #33	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3870.6	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #34	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3884.3	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #35	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C	3927.7	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #36	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@@H](CO)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3832.3	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #37	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3887.4	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #38	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C	3927.9	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #39	CC(=O)N([C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3836.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #4	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C	3822.6	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #40	CC(=O)N([C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3867.5	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #41	CC(=O)N[C@@H]1[C@@H](N=C(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO	3968.1	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #5	CC(=O)N([C@@H]1[C@@H](N=C(N)N)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	3669.2	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #6	CC(=O)N[C@@H]1[C@@H](N=C(N[Si](C)(C)C(C)(C)C)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3923.7	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #7	CC(=O)N([C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO)[Si](C)(C)C(C)(C)C	3752.8	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #8	CC(=O)N[C@@H]1[C@@H](N=C(N)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)CO	3837.7	Semi standard non polar	33892256
Zanamivir,4TBDMS,isomer #9	CC(=O)N[C@@H]1[C@@H](N=C(N)N[Si](C)(C)C(C)(C)C)C=C(C(=O)O[Si](C)(C)C(C)(C)C)O[C@H]1[C@H](O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C	3799.7	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 - Zanamivir GC-MS (Non-derivatized) - 70eV, Positive	splash10-08gi-9333000000-192a3fb0a765cc76272a	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zanamivir GC-MS (4 TMS) - 70eV, Positive	splash10-0a4i-9120247000-a1f231eacdbcd584b683	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Zanamivir GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	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 - Zanamivir 10V, Positive-QTOF	splash10-01c9-2089000000-4b363928c7080b58eaf9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 20V, Positive-QTOF	splash10-03di-8091000000-e955bc5727f97f64f636	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 40V, Positive-QTOF	splash10-03di-9310000000-1499e6041e5831b4268f	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 10V, Negative-QTOF	splash10-02pr-4092000000-e0a953096602bf725d43	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 20V, Negative-QTOF	splash10-08fv-7190000000-e7e50811b55c4d55c4d9	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 40V, Negative-QTOF	splash10-0a4l-9110000000-23c8a48c94cc1cdcc136	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 10V, Positive-QTOF	splash10-001i-0019000000-c06e9379cf7d274c600a	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 20V, Positive-QTOF	splash10-00m4-0094000000-97290cd8e79a4d977d7e	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 40V, Positive-QTOF	splash10-03di-4390000000-2420ed6c3d9c972f2424	2021-09-23	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 10V, Negative-QTOF	splash10-0019-0092000000-284f672e9e6f973e4eaf	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 20V, Negative-QTOF	splash10-056s-0390000000-5251af99ef7e14b4f0c1	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Zanamivir 40V, Negative-QTOF	splash10-0002-3930000000-a904eb807a510f8f96a0	2021-09-25	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-29	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular
Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00558	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00558	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB00558

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

54842

KEGG Compound ID

C08095

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Zanamivir

METLIN ID

Not Available

PubChem Compound

60855

PDB ID

Not Available

ChEBI ID

50663

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

Meindl P, Bodo G, Palese P, Schulman J, Tuppy H: Inhibition of neuraminidase activity by derivatives of 2-deoxy-2,3-dehydro-N-acetylneuraminic acid. Virology. 1974 Apr;58(2):457-63. [PubMed:4362431 ]
von Itzstein M, Wu WY, Kok GB, Pegg MS, Dyason JC, Jin B, Van Phan T, Smythe ML, White HF, Oliver SW, et al.: Rational design of potent sialidase-based inhibitors of influenza virus replication. Nature. 1993 Jun 3;363(6428):418-23. [PubMed:8502295 ]
Sugaya N, Tamura D, Yamazaki M, Ichikawa M, Kawakami C, Kawaoka Y, Mitamura K: Comparison of the clinical effectiveness of oseltamivir and zanamivir against influenza virus infection in children. Clin Infect Dis. 2008 Aug 1;47(3):339-45. doi: 10.1086/589748. [PubMed:18582202 ]
Hata K, Koseki K, Yamaguchi K, Moriya S, Suzuki Y, Yingsakmongkon S, Hirai G, Sodeoka M, von Itzstein M, Miyagi T: Limited inhibitory effects of oseltamivir and zanamivir on human sialidases. Antimicrob Agents Chemother. 2008 Oct;52(10):3484-91. doi: 10.1128/AAC.00344-08. Epub 2008 Aug 11. [PubMed:18694948 ]

Enzymes

Enzyme Details

1. Sialidase-2

General function:: Involved in exo-alpha-sialidase activity
Specific function:: Hydrolyzes sialylated compounds.
Gene Name:: NEU2
Uniprot ID:: Q9Y3R4
Molecular weight:: Not Available

References

Chavas LM, Kato R, Suzuki N, von Itzstein M, Mann MC, Thomson RJ, Dyason JC, McKimm-Breschkin J, Fusi P, Tringali C, Venerando B, Tettamanti G, Monti E, Wakatsuki S: Complexity in influenza virus targeted drug design: interaction with human sialidases. J Med Chem. 2010 Apr 8;53(7):2998-3002. doi: 10.1021/jm100078r. [PubMed:20222714 ]

Showing metabocard for Zanamivir (HMDB0014698)

MOL for HMDB0014698 (Zanamivir)

3D MOL for HMDB0014698 (Zanamivir)

3D SDF for HMDB0014698 (Zanamivir)

3D-SDF for HMDB0014698 (Zanamivir)

PDB for HMDB0014698 (Zanamivir)

3D PDB for HMDB0014698 (Zanamivir)

SMILES for HMDB0014698 (Zanamivir)

INCHI for HMDB0014698 (Zanamivir)

Structure for HMDB0014698 (Zanamivir)

3D Structure for HMDB0014698 (Zanamivir)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References