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Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-12 02:16:44 UTC

Update Date

2022-03-07 02:56:42 UTC

HMDB ID

HMDB0040703

Secondary Accession Numbers

HMDB40703

Metabolite Identification

Common Name

Pulcherosine

Description

Pulcherosine belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Pulcherosine has been detected, but not quantified in, herbs and spices. This could make pulcherosine a potential biomarker for the consumption of these foods. Based on a literature review a small amount of articles have been published on Pulcherosine.

Structure

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


  Mrv0541 05061312032D          

 39 41  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1434   -1.2375    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
  5  2  2  0  0  0  0
  6  3  2  0  0  0  0
 13  1  2  0  0  0  0
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 37 27  2  0  0  0  0
 38 27  1  0  0  0  0
 39 16  1  0  0  0  0
 39 23  1  0  0  0  0
M  END

HMDB0040703
     RDKit          3D
Pulcherosine
 68 70  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 05061312032D          

 39 41  0  0  0  0            999 V2000
    4.2868    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 22  1  0  0  0  0
 32 24  1  0  0  0  0
 33 25  2  0  0  0  0
 34 25  1  0  0  0  0
 35 26  2  0  0  0  0
 36 26  1  0  0  0  0
 37 27  2  0  0  0  0
 38 27  1  0  0  0  0
 39 16  1  0  0  0  0
 39 23  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0040703

> <DATABASE_NAME>
hmdb

> <SMILES>
NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)

> <INCHI_KEY>
YLKSMWKXSSBSNR-UHFFFAOYSA-N

> <FORMULA>
C27H29N3O9

> <MOLECULAR_WEIGHT>
539.5339

> <EXACT_MASS>
539.190379541

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_AVERAGE_POLARIZABILITY>
54.71418781660211

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl}propanoic acid

> <ALOGPS_LOGP>
-3.10

> <JCHEM_LOGP>
-4.961650762274437

> <ALOGPS_LOGS>
-4.73

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
1.546102000499654

> <JCHEM_PKA_STRONGEST_ACIDIC>
1.0624279365553382

> <JCHEM_PKA_STRONGEST_BASIC>
10.016625544431161

> <JCHEM_POLAR_SURFACE_AREA>
239.64999999999995

> <JCHEM_REFRACTIVITY>
138.5717

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.99e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl}propanoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HMDB0040703
     RDKit          3D
Pulcherosine
 68 70  0  0  0  0  0  0  0  0999 V2000
   -6.0239   -2.9685   -0.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6735   -2.8783    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7181   -1.4409    1.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823   -0.5672    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4916   -0.3761    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290    0.4431    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    1.0908   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154    1.9162   -1.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.0311   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    3.2825   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    3.4705   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    4.8281    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799    5.5940   -1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525    4.8205   -1.5949 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    6.9290   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6038    7.7783   -0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776    7.3511   -0.8810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    2.3862   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    1.1396   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986   -0.0221   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502   -1.2540   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941   -2.3416   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804   -3.6259    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950   -3.8185    1.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -5.1501    2.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561   -3.7878    1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -4.7994    2.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -2.5998    1.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9184   -2.1973   -0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005   -0.9766   -1.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    0.0858   -1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.3318   -1.8559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    0.9876   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424   -0.2569   -1.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3466    0.8633   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2206    0.0560   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3636   -3.5140    1.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376   -3.5458    2.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919   -4.0936    0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3206   -2.5157   -0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9697   -2.5602   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4477   -3.4411    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7389   -1.0366    1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5400   -1.4122    2.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325   -0.8577    2.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    0.6122    0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961    4.1014   -0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    4.7653    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538    5.4091    0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0852    5.6706   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    4.6388   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    3.9306   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279    7.3388   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    2.5374    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -1.3232    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -3.8564    0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415   -4.4311   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504   -3.1121    2.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -5.5283    2.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -5.7901    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -2.5471    1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -3.0673   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688   -0.8991   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891    1.4288   -2.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -0.4441   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6665    1.3660   -1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2557   -0.0951   -0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974   -5.0525    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 11 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 22 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 19 33  2  0
 33 34  1  0
  7 35  1  0
 35 36  2  0
  2 37  1  0
 37 38  2  0
 37 39  1  0
 36  4  1  0
 33  9  1  0
 31 20  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  6 46  1  0
 10 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 17 53  1  0
 18 54  1  0
 21 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 32 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 39 68  1  0
M  END

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       8.002   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.335   9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       6.668  11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.335  10.780   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  13.090   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.335   6.160   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       8.002  13.860   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   28  N   UNK     0       4.001  -2.310   0.000  0.00  0.00           N+0
HETATM   29  N   UNK     0       5.335  13.860   0.000  0.00  0.00           N+0
HETATM   30  N   UNK     0       0.000   1.540   0.000  0.00  0.00           N+0
HETATM   31  O   UNK     0       1.334   8.470   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       6.668   6.930   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       8.002  15.400   0.000  0.00  0.00           O+0
HETATM   36  O   UNK     0       9.336  13.090   0.000  0.00  0.00           O+0
HETATM   37  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   38  O   UNK     0       2.667   0.000   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0       6.668   3.850   0.000  0.00  0.00           O+0
CONECT    1    4   13                                                       
CONECT    2    5   13                                                       
CONECT    3    6   14                                                       
CONECT    4    1   16                                                       
CONECT    5    2   16                                                       
CONECT    6    3   22                                                       
CONECT    7   14   17                                                       
CONECT    8   15   18                                                       
CONECT    9   13   19                                                       
CONECT   10   14   20                                                       
CONECT   11   15   21                                                       
CONECT   12   15   23                                                       
CONECT   13    1    2    9                                                  
CONECT   14    3    7   10                                                  
CONECT   15    8   11   12                                                  
CONECT   16    4    5   39                                                  
CONECT   17    7   18   22                                                  
CONECT   18    8   17   24                                                  
CONECT   19    9   25   28                                                  
CONECT   20   10   26   29                                                  
CONECT   21   11   27   30                                                  
CONECT   22    6   17   31                                                  
CONECT   23   12   24   39                                                  
CONECT   24   18   23   32                                                  
CONECT   25   19   33   34                                                  
CONECT   26   20   35   36                                                  
CONECT   27   21   37   38                                                  
CONECT   28   19                                                            
CONECT   29   20                                                            
CONECT   30   21                                                            
CONECT   31   22                                                            
CONECT   32   24                                                            
CONECT   33   25                                                            
CONECT   34   25                                                            
CONECT   35   26                                                            
CONECT   36   26                                                            
CONECT   37   27                                                            
CONECT   38   27                                                            
CONECT   39   16   23                                                       
MASTER        0    0    0    0    0    0    0    0   39    0   82    0
END

COMPND    HMDB0040703
HETATM    1  N1  UNL     1      -6.024  -2.969  -0.248  1.00  0.00           N  
HETATM    2  C1  UNL     1      -5.674  -2.878   1.137  1.00  0.00           C  
HETATM    3  C2  UNL     1      -5.718  -1.441   1.622  1.00  0.00           C  
HETATM    4  C3  UNL     1      -4.782  -0.567   0.882  1.00  0.00           C  
HETATM    5  C4  UNL     1      -3.492  -0.376   1.323  1.00  0.00           C  
HETATM    6  C5  UNL     1      -2.629   0.443   0.617  1.00  0.00           C  
HETATM    7  C6  UNL     1      -3.034   1.091  -0.548  1.00  0.00           C  
HETATM    8  O1  UNL     1      -2.215   1.916  -1.287  1.00  0.00           O  
HETATM    9  C7  UNL     1      -0.878   2.031  -0.953  1.00  0.00           C  
HETATM   10  C8  UNL     1      -0.400   3.282  -0.545  1.00  0.00           C  
HETATM   11  C9  UNL     1       0.906   3.470  -0.198  1.00  0.00           C  
HETATM   12  C10 UNL     1       1.398   4.828   0.232  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.880   5.594  -1.002  1.00  0.00           C  
HETATM   14  N2  UNL     1       2.953   4.821  -1.595  1.00  0.00           N  
HETATM   15  C12 UNL     1       2.374   6.929  -0.653  1.00  0.00           C  
HETATM   16  O2  UNL     1       1.604   7.778  -0.110  1.00  0.00           O  
HETATM   17  O3  UNL     1       3.678   7.351  -0.881  1.00  0.00           O  
HETATM   18  C13 UNL     1       1.754   2.386  -0.260  1.00  0.00           C  
HETATM   19  C14 UNL     1       1.344   1.140  -0.652  1.00  0.00           C  
HETATM   20  C15 UNL     1       2.199  -0.022  -0.720  1.00  0.00           C  
HETATM   21  C16 UNL     1       1.850  -1.254  -0.199  1.00  0.00           C  
HETATM   22  C17 UNL     1       2.694  -2.342  -0.274  1.00  0.00           C  
HETATM   23  C18 UNL     1       2.280  -3.626   0.286  1.00  0.00           C  
HETATM   24  C19 UNL     1       2.595  -3.818   1.730  1.00  0.00           C  
HETATM   25  N3  UNL     1       2.133  -5.150   2.154  1.00  0.00           N  
HETATM   26  C20 UNL     1       4.056  -3.788   1.951  1.00  0.00           C  
HETATM   27  O4  UNL     1       4.709  -4.799   2.336  1.00  0.00           O  
HETATM   28  O5  UNL     1       4.770  -2.600   1.733  1.00  0.00           O  
HETATM   29  C21 UNL     1       3.918  -2.197  -0.886  1.00  0.00           C  
HETATM   30  C22 UNL     1       4.300  -0.977  -1.419  1.00  0.00           C  
HETATM   31  C23 UNL     1       3.445   0.086  -1.331  1.00  0.00           C  
HETATM   32  O6  UNL     1       3.792   1.332  -1.856  1.00  0.00           O  
HETATM   33  C24 UNL     1       0.001   0.988  -1.000  1.00  0.00           C  
HETATM   34  O7  UNL     1      -0.442  -0.257  -1.409  1.00  0.00           O  
HETATM   35  C25 UNL     1      -4.347   0.863  -0.949  1.00  0.00           C  
HETATM   36  C26 UNL     1      -5.221   0.056  -0.265  1.00  0.00           C  
HETATM   37  C27 UNL     1      -4.364  -3.514   1.376  1.00  0.00           C  
HETATM   38  O8  UNL     1      -3.838  -3.546   2.512  1.00  0.00           O  
HETATM   39  O9  UNL     1      -3.692  -4.094   0.319  1.00  0.00           O  
HETATM   40  H1  UNL     1      -5.321  -2.516  -0.871  1.00  0.00           H  
HETATM   41  H2  UNL     1      -6.970  -2.560  -0.428  1.00  0.00           H  
HETATM   42  H3  UNL     1      -6.448  -3.441   1.722  1.00  0.00           H  
HETATM   43  H4  UNL     1      -6.739  -1.037   1.464  1.00  0.00           H  
HETATM   44  H5  UNL     1      -5.540  -1.412   2.730  1.00  0.00           H  
HETATM   45  H6  UNL     1      -3.133  -0.858   2.220  1.00  0.00           H  
HETATM   46  H7  UNL     1      -1.597   0.612   0.947  1.00  0.00           H  
HETATM   47  H8  UNL     1      -1.096   4.101  -0.510  1.00  0.00           H  
HETATM   48  H9  UNL     1       2.193   4.765   0.975  1.00  0.00           H  
HETATM   49  H10 UNL     1       0.554   5.409   0.634  1.00  0.00           H  
HETATM   50  H11 UNL     1       1.085   5.671  -1.749  1.00  0.00           H  
HETATM   51  H12 UNL     1       3.643   4.639  -0.835  1.00  0.00           H  
HETATM   52  H13 UNL     1       2.605   3.931  -2.032  1.00  0.00           H  
HETATM   53  H14 UNL     1       4.328   7.339  -0.123  1.00  0.00           H  
HETATM   54  H15 UNL     1       2.797   2.537   0.018  1.00  0.00           H  
HETATM   55  H16 UNL     1       0.863  -1.323   0.280  1.00  0.00           H  
HETATM   56  H17 UNL     1       1.206  -3.856   0.083  1.00  0.00           H  
HETATM   57  H18 UNL     1       2.841  -4.431  -0.274  1.00  0.00           H  
HETATM   58  H19 UNL     1       2.050  -3.112   2.392  1.00  0.00           H  
HETATM   59  H20 UNL     1       2.681  -5.528   2.933  1.00  0.00           H  
HETATM   60  H21 UNL     1       2.028  -5.790   1.341  1.00  0.00           H  
HETATM   61  H22 UNL     1       5.759  -2.547   1.657  1.00  0.00           H  
HETATM   62  H23 UNL     1       4.558  -3.067  -0.936  1.00  0.00           H  
HETATM   63  H24 UNL     1       5.269  -0.899  -1.892  1.00  0.00           H  
HETATM   64  H25 UNL     1       4.689   1.429  -2.302  1.00  0.00           H  
HETATM   65  H26 UNL     1      -1.372  -0.444  -1.707  1.00  0.00           H  
HETATM   66  H27 UNL     1      -4.666   1.366  -1.857  1.00  0.00           H  
HETATM   67  H28 UNL     1      -6.256  -0.095  -0.620  1.00  0.00           H  
HETATM   68  H29 UNL     1      -3.897  -5.052   0.065  1.00  0.00           H  
CONECT    1    2   40   41
CONECT    2    3   37   42
CONECT    3    4   43   44
CONECT    4    5    5   36
CONECT    5    6   45
CONECT    6    7    7   46
CONECT    7    8   35
CONECT    8    9
CONECT    9   10   10   33
CONECT   10   11   47
CONECT   11   12   18   18
CONECT   12   13   48   49
CONECT   13   14   15   50
CONECT   14   51   52
CONECT   15   16   16   17
CONECT   17   53
CONECT   18   19   54
CONECT   19   20   33   33
CONECT   20   21   21   31
CONECT   21   22   55
CONECT   22   23   29   29
CONECT   23   24   56   57
CONECT   24   25   26   58
CONECT   25   59   60
CONECT   26   27   27   28
CONECT   28   61
CONECT   29   30   62
CONECT   30   31   31   63
CONECT   31   32
CONECT   32   64
CONECT   33   34
CONECT   34   65
CONECT   35   36   36   66
CONECT   36   67
CONECT   37   38   38   39
CONECT   39   68
END

HMDB0040703
     RDKit          3D
Pulcherosine
 68 70  0  0  0  0  0  0  0  0999 V2000
   -6.0239   -2.9685   -0.2475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6735   -2.8783    1.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7181   -1.4409    1.6225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7823   -0.5672    0.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4916   -0.3761    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6290    0.4431    0.6166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0343    1.0908   -0.5477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2154    1.9162   -1.2874 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8783    2.0311   -0.9530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4001    3.2825   -0.5446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9055    3.4705   -0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3979    4.8281    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8799    5.5940   -1.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9525    4.8205   -1.5949 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742    6.9290   -0.6527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6038    7.7783   -0.1098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776    7.3511   -0.8810 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7538    2.3862   -0.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3441    1.1396   -0.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986   -0.0221   -0.7198 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8502   -1.2540   -0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6941   -2.3416   -0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2804   -3.6259    0.2856 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5950   -3.8185    1.7296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325   -5.1501    2.1539 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561   -3.7878    1.9510 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7095   -4.7994    2.3359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7705   -2.5998    1.7332 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9184   -2.1973   -0.8858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3005   -0.9766   -1.4193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4450    0.0858   -1.3310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7917    1.3318   -1.8559 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    0.9876   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424   -0.2569   -1.4089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3466    0.8633   -0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2206    0.0560   -0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3636   -3.5140    1.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8376   -3.5458    2.5124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6919   -4.0936    0.3190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3206   -2.5157   -0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9697   -2.5602   -0.4282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4477   -3.4411    1.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7389   -1.0366    1.4642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5400   -1.4122    2.7299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1325   -0.8577    2.2199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5974    0.6122    0.9471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0961    4.1014   -0.5098 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1935    4.7653    0.9747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538    5.4091    0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0852    5.6706   -1.7493 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6434    4.6388   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6046    3.9306   -2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3279    7.3388   -0.1228 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7973    2.5374    0.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -1.3232    0.2805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2056   -3.8564    0.0834 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8415   -4.4311   -0.2740 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504   -3.1121    2.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6813   -5.5283    2.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0280   -5.7901    1.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7593   -2.5471    1.6574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5576   -3.0673   -0.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2688   -0.8991   -1.8916 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6891    1.4288   -2.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3716   -0.4441   -1.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6665    1.3660   -1.8567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2557   -0.0951   -0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8974   -5.0525    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 15 16  2  0
 15 17  1  0
 11 18  2  0
 18 19  1  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 24 26  1  0
 26 27  2  0
 26 28  1  0
 22 29  2  0
 29 30  1  0
 30 31  2  0
 31 32  1  0
 19 33  2  0
 33 34  1  0
  7 35  1  0
 35 36  2  0
  2 37  1  0
 37 38  2  0
 37 39  1  0
 36  4  1  0
 33  9  1  0
 31 20  1  0
  1 40  1  0
  1 41  1  0
  2 42  1  0
  3 43  1  0
  3 44  1  0
  5 45  1  0
  6 46  1  0
 10 47  1  0
 12 48  1  0
 12 49  1  0
 13 50  1  0
 14 51  1  0
 14 52  1  0
 17 53  1  0
 18 54  1  0
 21 55  1  0
 23 56  1  0
 23 57  1  0
 24 58  1  0
 25 59  1  0
 25 60  1  0
 28 61  1  0
 29 62  1  0
 30 63  1  0
 32 64  1  0
 34 65  1  0
 35 66  1  0
 36 67  1  0
 39 68  1  0
M  END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
5-(4''-(2-Carboxy-2-aminoethyl)phenoxy)-3,3'-dityrosine	HMDB, MeSH
5-[4-(2-amino-2-Carboxyethyl)phenoxy]-3,3'-dityrosine	HMDB
2-Amino-3-(4-{[5,5'-bis(2-amino-2-carboxyethyl)-[1,1'-biphenyl]-2,2'-diyl]oxy}phenyl)propanoate	Generator
Pulcherosine	MeSH

Chemical Formula

C₂₇H₂₉N₃O₉

Average Molecular Weight

539.5339

Monoisotopic Molecular Weight

539.190379541

IUPAC Name

2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl}propanoic acid

Traditional Name

2-amino-3-{4-[5-(2-amino-2-carboxyethyl)-3-[5-(2-amino-2-carboxyethyl)-2-hydroxyphenyl]-2-hydroxyphenoxy]phenyl}propanoic acid

CAS Registry Number

126723-16-8

SMILES

NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O

InChI Identifier

InChI=1S/C27H29N3O9/c28-19(25(33)34)9-13-1-4-16(5-2-13)39-23-12-15(11-21(30)27(37)38)8-18(24(23)32)17-7-14(3-6-22(17)31)10-20(29)26(35)36/h1-8,12,19-21,31-32H,9-11,28-30H2,(H,33,34)(H,35,36)(H,37,38)

InChI Key

YLKSMWKXSSBSNR-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as tyrosine and derivatives. Tyrosine and derivatives are compounds containing tyrosine or a derivative thereof resulting from reaction of tyrosine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Tyrosine and derivatives

Alternative Parents

Substituents

Tyrosine or derivatives
Oxyneolignan skeleton
Phenylalanine or derivatives
Diphenylether
Biphenyl
Diaryl ether
3-phenylpropanoic-acid
Amphetamine or derivatives
Alpha-amino acid
Tricarboxylic acid or derivatives
Phenol ether
Phenoxy compound
1-hydroxy-2-unsubstituted benzenoid
Aralkylamine
Phenol
Monocyclic benzene moiety
Benzenoid
Amino acid
Carboxylic acid
Ether
Organic oxide
Primary aliphatic amine
Organonitrogen compound
Organooxygen compound
Amine
Primary amine
Carbonyl group
Organic nitrogen compound
Hydrocarbon derivative
Organic oxygen compound
Organopnictogen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Extracellular (HMDB: HMDB0040703)
Cytoplasm (HMDB: HMDB0040703)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0040703)

Source

Exogenous

Food

Food (HMDB: HMDB0040703)

Herb and spice

Herbs and Spices (FooDB: FOOD00866)

Endogenous

Plant

Plant (HMDB: HMDB0040703)

Not Available

Nutrient (HMDB: HMDB0040703)

Physical Properties

State

Not Available

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Not Available

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.01 g/L	ALOGPS
logP	-3.1	ALOGPS
logP	-5	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	1.06	ChemAxon
pKa (Strongest Basic)	10.02	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	239.65 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	138.57 m³·mol⁻¹	ChemAxon
Polarizability	54.71 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	228.623	31661259
DarkChem	[M-H]-	224.386	31661259
DeepCCS	[M+H]+	210.423	30932474
DeepCCS	[M-H]-	208.027	30932474
DeepCCS	[M-2H]-	240.911	30932474
DeepCCS	[M+Na]+	216.335	30932474
AllCCS	[M+H]+	224.3	32859911
AllCCS	[M+H-H2O]+	222.8	32859911
AllCCS	[M+NH4]+	225.7	32859911
AllCCS	[M+Na]+	226.1	32859911
AllCCS	[M-H]-	219.7	32859911
AllCCS	[M+Na-2H]-	221.6	32859911
AllCCS	[M+HCOO]-	223.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Pulcherosine	NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O	6572.0	Standard polar	33892256
Pulcherosine	NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O	4502.4	Standard non polar	33892256
Pulcherosine	NC(CC1=CC=C(OC2=CC(CC(N)C(O)=O)=CC(=C2O)C2=C(O)C=CC(CC(N)C(O)=O)=C2)C=C1)C(O)=O	5078.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Pulcherosine,1TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4793.2	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #2	C[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	4745.5	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #3	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	4776.4	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4791.1	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #5	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	4794.5	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4932.4	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #7	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4946.6	Semi standard non polar	33892256
Pulcherosine,1TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4940.9	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	4610.3	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #10	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O[Si](C)(C)C	4606.0	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #11	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4708.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #12	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4726.0	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #13	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4718.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #14	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4631.7	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4634.8	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4741.2	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #17	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4752.1	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4727.8	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4611.7	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4595.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4726.5	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #21	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4719.7	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4702.8	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #23	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4719.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #24	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4720.4	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #25	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4712.8	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #26	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4863.0	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #27	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4854.3	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #28	C[Si](C)(C)N(C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O)[Si](C)(C)C	4858.2	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #29	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4869.1	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4612.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #30	C[Si](C)(C)N(C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O)[Si](C)(C)C	4897.2	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #31	C[Si](C)(C)N(C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O)[Si](C)(C)C	4876.6	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #4	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1	4628.9	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #5	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4733.1	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4701.7	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4712.1	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4592.7	Semi standard non polar	33892256
Pulcherosine,2TMS,isomer #9	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4595.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4499.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4565.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #11	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4576.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4523.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #13	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4567.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #14	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4572.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #15	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4556.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #16	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4602.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #17	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4591.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4601.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #19	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4671.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4527.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4685.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #21	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4757.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4658.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #23	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4711.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #24	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1	4726.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #25	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4505.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #26	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4518.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #27	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4574.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #28	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4582.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #29	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4576.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #3	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4503.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4518.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #31	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4583.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #32	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4583.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4566.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4601.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #35	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4607.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4587.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #37	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4693.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #38	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4684.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #39	C[Si](C)(C)OC1=C(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	4724.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4559.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #40	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4705.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #41	C[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	4750.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #42	C[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C1O	4736.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4528.9	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #44	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4598.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #45	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4608.4	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #46	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4593.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #47	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4593.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #48	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4609.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #49	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4604.9	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #5	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4570.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #50	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4724.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #51	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4704.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #52	C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	4753.9	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #53	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4713.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #54	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	4773.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #55	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1O	4737.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #56	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4561.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #57	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4573.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #58	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4567.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #59	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4688.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #6	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4565.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #60	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4669.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #61	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4744.0	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #62	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4667.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #63	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4746.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #64	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4716.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #65	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4679.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #66	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4673.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #67	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4727.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #68	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4680.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #69	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	4744.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #7	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4507.2	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #70	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4729.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #71	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4816.7	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #72	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4831.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #73	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4843.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #74	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4828.5	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #75	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4831.1	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #76	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4844.6	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #77	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4854.3	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #8	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1	4518.8	Semi standard non polar	33892256
Pulcherosine,3TMS,isomer #9	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4588.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4450.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #10	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4493.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #100	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4656.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #101	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4612.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #102	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4668.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #103	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4653.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #104	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4725.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #105	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4755.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #106	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4766.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #107	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4740.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #108	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4740.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #109	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4745.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #11	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4503.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #110	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4755.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #111	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4565.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #112	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4559.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #113	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4623.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #114	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4568.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #115	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4635.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #116	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4636.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #117	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4684.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #118	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4742.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #119	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4735.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #12	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4505.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #120	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4714.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #121	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4720.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #122	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4712.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #123	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4723.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #124	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4689.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #125	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4735.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #126	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4721.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #127	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4721.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #128	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4715.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #129	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4724.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #13	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4560.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #130	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4732.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #131	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4824.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #132	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4835.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #133	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4826.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #134	C[Si](C)(C)N(C(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O)[Si](C)(C)C	4915.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #135	C[Si](C)(C)N(C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O)[Si](C)(C)C	4903.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #136	C[Si](C)(C)N(C(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O)[Si](C)(C)C	4927.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #14	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4560.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #15	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4618.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4567.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #17	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	4647.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #18	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4620.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4459.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #2	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4437.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4502.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #21	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4508.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #22	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4502.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #23	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4522.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #24	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4523.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #25	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4530.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #26	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4588.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #27	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4599.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #28	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4672.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #29	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4586.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #3	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4460.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #30	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4634.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #31	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1	4646.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4497.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #33	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4501.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #34	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4505.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4567.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4557.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #37	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1	4633.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #38	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4561.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #39	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4649.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #4	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4470.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #40	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4610.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #41	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4590.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #42	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4598.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #43	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4680.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #44	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4600.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #45	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1	4641.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #46	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1	4650.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #47	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4681.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #48	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4716.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #49	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4729.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4465.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #50	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4729.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #51	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4739.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #52	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4702.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #53	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4705.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #54	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4464.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #55	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4496.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #56	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4511.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #57	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4499.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #58	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4514.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #59	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4533.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #6	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4462.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #60	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4530.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #61	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4593.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #62	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4589.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #63	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4646.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #64	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4599.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #65	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4661.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #66	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4648.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #67	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4518.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #68	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4534.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #69	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4523.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4496.3	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #70	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4600.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #71	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4587.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #72	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4660.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #73	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4591.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #74	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4661.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #75	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1	4637.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #76	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4631.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #77	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4615.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #78	C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O[Si](C)(C)C	4672.5	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #79	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4620.2	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #8	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4504.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #80	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O[Si](C)(C)C	4687.7	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #81	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1O[Si](C)(C)C	4660.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #82	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4712.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #83	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4741.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #84	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4750.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #85	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4738.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #86	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4740.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #87	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4753.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #88	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4761.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #89	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4497.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4514.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #90	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4522.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #91	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4501.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #92	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4600.1	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #93	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4588.8	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #94	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4668.0	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #95	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4604.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #96	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4668.4	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #97	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4643.6	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #98	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4594.9	Semi standard non polar	33892256
Pulcherosine,4TMS,isomer #99	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4591.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #1	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4442.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #10	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4553.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #100	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4673.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #101	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	4668.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #102	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4664.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #103	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4665.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #104	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4664.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #105	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4671.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #106	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4569.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #107	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4557.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #108	C[Si](C)(C)OC(=O)C(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4627.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #109	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4575.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #11	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4461.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #110	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4626.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #111	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1	4608.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #112	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4649.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #113	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4677.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #114	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4680.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #115	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4660.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #116	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4670.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #117	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4659.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #118	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4666.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #119	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4684.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #12	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4569.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #120	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4694.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #121	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4702.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #122	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4682.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #123	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4680.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #124	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4686.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #125	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4692.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #126	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4766.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #127	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4773.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #128	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4766.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #129	C[Si](C)(C)OC1=C(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	4868.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #13	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4560.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #130	C[Si](C)(C)OC1=C(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C1O	4854.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #131	C[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C1O	4878.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #132	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4519.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #133	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4501.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #134	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4593.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #135	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4521.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #136	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4599.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #137	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4599.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #138	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4632.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #139	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4673.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #14	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4467.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #140	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4678.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #141	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4653.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #142	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4669.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #143	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4654.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #144	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4664.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #145	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4636.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #146	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4671.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #147	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4669.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #148	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4659.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #149	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4667.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #15	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4475.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #150	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4662.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #151	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4673.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #152	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4764.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #153	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4772.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #154	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4763.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #155	C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	4882.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #156	C[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1O	4860.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #157	C[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C1O	4874.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #158	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4585.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #159	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4633.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #16	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4487.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #160	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4630.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #161	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4633.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #162	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4640.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #163	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4635.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #164	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4639.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #165	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4734.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #166	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4743.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #167	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4736.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #168	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4855.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #169	C[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4835.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #17	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4502.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #170	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4826.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #171	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4739.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #172	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4747.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #173	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4734.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #174	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4840.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #175	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4831.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #176	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1	4834.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #177	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4922.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #178	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4932.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #179	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4932.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #18	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4513.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #19	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1	4590.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #2	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C	4444.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #20	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4519.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #21	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4608.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #22	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1	4588.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #23	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4524.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #24	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4532.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #25	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	4585.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #26	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4538.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #27	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4607.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #28	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4586.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #29	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4581.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #3	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4451.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #30	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4633.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #31	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4646.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #32	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4621.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #33	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4622.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #34	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4628.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #35	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4643.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #36	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4471.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #37	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4475.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #38	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4480.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #39	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4531.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #4	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4446.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #40	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4529.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #41	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1	4594.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #42	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4534.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #43	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1	4607.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #44	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1	4578.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #45	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4559.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #46	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4568.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #47	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)N([Si](C)(C)C)[Si](C)(C)C	4637.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #48	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O	4570.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #49	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1	4606.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #5	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4440.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #50	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1	4613.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #51	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4646.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #52	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4662.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #53	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4677.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #54	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4671.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #55	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4684.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #56	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4653.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #57	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O	4653.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #58	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4503.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #59	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4508.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #6	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4445.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #60	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1	4595.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #61	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4512.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #62	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	4607.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #63	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1	4583.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #64	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4578.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #65	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4640.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #66	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4646.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #67	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C	4615.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #68	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4625.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #69	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C	4619.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #7	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4442.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #70	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4637.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #71	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4630.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #72	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4655.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #73	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4677.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #74	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4663.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #75	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	4685.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #76	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4650.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #77	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O)C=C1)C(=O)O	4650.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #78	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O)=C1)C(=O)O	4732.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #79	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	4739.9	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #8	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4460.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #80	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	4734.0	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #81	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4841.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #82	C[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1)N([Si](C)(C)C)[Si](C)(C)C	4853.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #83	C[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C2O)=C1	4811.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #84	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4470.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #85	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4490.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #86	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O[Si](C)(C)C	4473.5	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #87	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4536.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #88	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1)C(=O)O[Si](C)(C)C	4523.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #89	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1	4591.3	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #9	C[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C	4457.8	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #90	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)=CC=C2O)=C1)C(=O)O	4539.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #91	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4598.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #92	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O)=C2O[Si](C)(C)C)C=C1	4600.2	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #93	C[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C2)=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C)=C1)C(=O)O	4563.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #94	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4559.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #95	C[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1)N([Si](C)(C)C)[Si](C)(C)C	4619.1	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #96	C[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4579.4	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #97	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4625.6	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #98	C[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C)[Si](C)(C)C)=CC=C3O[Si](C)(C)C)=C2O[Si](C)(C)C)C=C1	4614.7	Semi standard non polar	33892256
Pulcherosine,5TMS,isomer #99	C[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C)C(=O)O[Si](C)(C)C)C=C3)=C2O[Si](C)(C)C)=C1)C(=O)O	4651.4	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	5093.7	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	5065.8	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	5077.9	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	5093.1	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #5	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	5094.8	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5167.8	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5189.8	Semi standard non polar	33892256
Pulcherosine,1TBDMS,isomer #8	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5180.3	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	5165.0	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #10	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O[Si](C)(C)C(C)(C)C	5181.4	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5206.8	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #12	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5231.2	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5219.6	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #14	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	5188.1	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #15	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1	5190.2	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5257.4	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5268.1	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O	5242.0	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #19	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1	5167.9	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	5164.4	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5228.8	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #21	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O	5234.4	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	5208.6	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #23	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5218.5	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #24	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5233.8	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #25	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5222.8	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #26	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5302.0	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5288.7	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #28	CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5350.5	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5314.2	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	5167.1	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #30	CC(C)(C)[Si](C)(C)N(C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5379.0	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #31	CC(C)(C)[Si](C)(C)N(C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O)[Si](C)(C)C(C)(C)C	5365.8	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #4	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1	5185.7	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5238.6	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5207.0	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #7	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5223.3	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1	5163.4	Semi standard non polar	33892256
Pulcherosine,2TBDMS,isomer #9	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1	5167.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #1	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1	5237.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #10	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5273.5	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #11	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5289.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #12	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	5279.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #13	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5277.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #14	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5283.3	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #15	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	5266.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #16	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5336.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #17	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O	5326.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #18	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5340.5	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #19	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5315.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #2	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1	5281.5	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #20	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5330.4	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #21	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5449.3	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #22	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5301.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #23	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1	5399.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #24	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C2O)=C1	5410.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #25	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1	5257.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #26	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C=C1	5291.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #27	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5278.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #28	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5297.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #29	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5288.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #3	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1	5255.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #30	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1	5291.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #31	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5289.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #32	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O	5299.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #33	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5276.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #34	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5339.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #35	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5345.3	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #36	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5324.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #37	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5343.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #38	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C3O)=C2O[Si](C)(C)C(C)(C)C)C=C1)C(=O)O	5334.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #39	CC(C)(C)[Si](C)(C)OC1=C(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	5400.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #4	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5268.5	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #40	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5355.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #41	CC(C)(C)[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC=C1O	5427.4	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #42	CC(C)(C)[Si](C)(C)OC1=C(OC2=CC=C(CC(N)C(=O)O)C=C2)C=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C1O	5414.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #43	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1	5283.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #44	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5331.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #45	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5349.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #46	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O	5328.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #47	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5324.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #48	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1)C(=O)O	5350.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #49	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5342.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #5	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5282.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #50	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5396.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #51	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O	5376.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #52	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	5467.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #53	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O[Si](C)(C)C(C)(C)C)=C2O)C=C1)C(=O)O	5383.5	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #54	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C1O	5482.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #55	CC(C)(C)[Si](C)(C)OC1=CC=C(CC(N)C(=O)O)C=C1C1=CC(CC(N)C(=O)O)=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C1O	5455.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #56	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O[Si](C)(C)C(C)(C)C	5271.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #57	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O	5282.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #58	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5278.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #59	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O	5334.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #6	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5275.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #60	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	5310.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #61	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5439.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #62	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(C3=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	5313.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #63	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1	5425.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #64	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1	5402.3	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #65	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5322.4	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #66	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(N[Si](C)(C)C(C)(C)C)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5314.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #67	CC(C)(C)[Si](C)(C)OC(=O)C(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C	5425.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #68	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(OC3=CC=C(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5326.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #69	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1	5424.9	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #7	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O[Si](C)(C)C(C)(C)C)=C1	5257.6	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #70	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1	5413.4	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #71	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC(C3=CC(CC(N[Si](C)(C)C(C)(C)C)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5403.2	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #72	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C2)=C(O)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O	5483.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #73	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(C3=CC(CC(N)C(=O)O)=CC=C3O)=C2O)C=C1)C(=O)O	5490.7	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #74	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(N)C(=O)O)=CC(OC3=CC=C(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C=C3)=C2O)=C1)C(=O)O	5477.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #75	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(OC2=CC(CC(N)C(=O)O)=CC(C3=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C3O)=C2O)C=C1)C(=O)O	5479.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #76	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC=C2O)=C1)C(=O)O	5496.8	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #77	CC(C)(C)[Si](C)(C)NC(CC1=CC=C(O)C(C2=CC(CC(C(=O)O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=CC(OC3=CC=C(CC(N)C(=O)O)C=C3)=C2O)=C1)C(=O)O	5503.1	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #8	CC(C)(C)[Si](C)(C)OC(=O)C(N)CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O[Si](C)(C)C(C)(C)C)=C1	5291.0	Semi standard non polar	33892256
Pulcherosine,3TBDMS,isomer #9	CC(C)(C)[Si](C)(C)NC(CC1=CC(OC2=CC=C(CC(N)C(=O)O)C=C2)=C(O[Si](C)(C)C(C)(C)C)C(C2=CC(CC(N)C(=O)O)=CC=C2O)=C1)C(=O)O[Si](C)(C)C(C)(C)C	5295.3	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 - Pulcherosine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0007-1000900000-542086613ea35e68d9a5	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (2 TMS) - 70eV, Positive	splash10-00y1-5200297000-ecbaaf00cb963a907c33	2017-10-06	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_1) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_1_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_2) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_3) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_4) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_5) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_6) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_7) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_8) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_9) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_10) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_11) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_12) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_13) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_14) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_15) - 70eV, Positive	Not Available	2021-10-13	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Pulcherosine GC-MS (TMS_2_16) - 70eV, Positive	Not Available	2021-10-13	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 - Pulcherosine 10V, Positive-QTOF	splash10-0097-0000930000-db84acd23722f30d205f	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 20V, Positive-QTOF	splash10-002b-0000900000-94315369028d657af199	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 40V, Positive-QTOF	splash10-014i-0201900000-ca560c4414a766933879	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 10V, Negative-QTOF	splash10-0079-0000290000-fcd37276127d1b9e195e	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 20V, Negative-QTOF	splash10-00fu-1304960000-7accbe823c72d6b63501	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 40V, Negative-QTOF	splash10-0089-3901000000-2cf64aecba3891fef504	2017-09-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 10V, Positive-QTOF	splash10-0096-0000970000-a4a0c332d312075c067f	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 20V, Positive-QTOF	splash10-004i-0000920000-bb6a3c37761b8f7a5706	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 40V, Positive-QTOF	splash10-006x-1006910000-413a8c0ac51c18dd1533	2021-09-22	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 10V, Negative-QTOF	splash10-0079-3000290000-a00f88c7704f34f1a963	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 20V, Negative-QTOF	splash10-00di-9001720000-7efad771ac41c8b31316	2021-09-25	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Pulcherosine 40V, Negative-QTOF	splash10-05i0-4104910000-2cc573f647d70c332c39	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)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-24	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Cytoplasm
Extracellular

Biospecimen Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Not Available

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FooDB ID

FDB020505

KNApSAcK ID

Not Available

Chemspider ID

110806

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

124402

PDB ID

Not Available

ChEBI ID

Not Available

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

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

Showing metabocard for Pulcherosine (HMDB0040703)

MOL for HMDB0040703 (Pulcherosine)

3D MOL for HMDB0040703 (Pulcherosine)

3D SDF for HMDB0040703 (Pulcherosine)

3D-SDF for HMDB0040703 (Pulcherosine)

PDB for HMDB0040703 (Pulcherosine)

3D PDB for HMDB0040703 (Pulcherosine)

SMILES for HMDB0040703 (Pulcherosine)

INCHI for HMDB0040703 (Pulcherosine)

Structure for HMDB0040703 (Pulcherosine)

3D Structure for HMDB0040703 (Pulcherosine)

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra